Prediction of noncovalent interactions for PDB structure 2MG8_PROTEIN
=====================================================================
Created on 2021/03/19 using PLIP v2.1.9

If you are using PLIP in your work, please cite:
Salentin,S. et al. PLIP: fully automated protein-ligand interaction profiler.
Nucl. Acids Res. (1 July 2015) 43 (W1): W443-W447. doi: 10.1093/nar/gkv315

DNA/RNA in structure was chosen to be part of the receptor.

XR2:B:101 (XR2) - SMALLMOLECULE
-------------------------------
Interacting chain(s): A,B


**Hydrophobic Interactions**
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+------------------------+-----------------------+
| RESNR | RESTYPE | RESCHAIN | RESNR_LIG | RESTYPE_LIG | RESCHAIN_LIG | DIST | LIGCARBONIDX | PROTCARBONIDX | LIGCOO                 | PROTCOO               | 
+=======+=========+==========+===========+=============+==============+======+==============+===============+========================+=======================+
| 7     | DC      | A        | 101       | XR2         | B            | 3.16 | 977          | 208           | 0.230, -1.088, -2.147  | 0.407, -3.941, -3.483 | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+------------------------+-----------------------+
| 23    | DC      | B        | 101       | XR2         | B            | 3.77 | 988          | 706           | 0.669, -0.949, 5.111   | -0.758, 1.300, 7.778  | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+------------------------+-----------------------+
| 23    | DC      | B        | 101       | XR2         | B            | 3.88 | 990          | 714           | 3.893, -1.180, 3.155   | 1.874, 1.913, 4.347   | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+------------------------+-----------------------+
| 25    | DT      | B        | 101       | XR2         | B            | 3.91 | 954          | 769           | -0.555, -11.179, 4.400 | -3.811, -9.032, 4.659 | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+------------------------+-----------------------+
| 25    | DT      | B        | 101       | XR2         | B            | 3.45 | 952          | 778           | 1.769, -10.999, 4.952  | 1.513, -7.692, 5.899  | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+------------------------+-----------------------+


**Hydrogen Bonds**
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+-----------------------+-----------------------+
| RESNR | RESTYPE | RESCHAIN | RESNR_LIG | RESTYPE_LIG | RESCHAIN_LIG | SIDECHAIN | DIST_H-A | DIST_D-A | DON_ANGLE | PROTISDON | DONORIDX | DONORTYPE | ACCEPTORIDX | ACCEPTORTYPE | LIGCOO                | PROTCOO               | 
+=======+=========+==========+===========+=============+==============+===========+==========+==========+===========+===========+==========+===========+=============+==============+=======================+=======================+
| 5     | DC      | A        | 101       | XR2         | B            | False     | 3.13     | 3.67     | 115.04    | True      | 145      | Npl       | 958         | Nar          | 1.345, -10.667, 1.328 | 3.875, -13.240, 0.655 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+-----------------------+-----------------------+
| 6     | DA      | A        | 101       | XR2         | B            | False     | 3.10     | 3.67     | 116.88    | True      | 175      | N3        | 971         | N3           | 4.996, -7.134, 1.939  | 1.908, -7.479, -0.008 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+-----------------------+-----------------------+
| 7     | DC      | A        | 101       | XR2         | B            | False     | 3.13     | 3.69     | 116.63    | True      | 207      | Npl       | 975         | O2           | 3.084, -0.821, -2.625 | 1.457, -3.871, -1.334 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+-----------------------+-----------------------+
| 23    | DC      | B        | 101       | XR2         | B            | False     | 3.28     | 3.61     | 100.41    | True      | 713      | Npl       | 981         | Nar          | -0.872, -0.927, 1.826 | 1.582, 1.711, 1.983   | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+-----------------------+-----------------------+
| 24    | DG      | B        | 101       | XR2         | B            | False     | 2.32     | 3.29     | 173.71    | False     | 973      | Nam       | 743         | O2           | 3.371, -2.032, -0.783 | 2.037, -3.873, 1.593  | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+-----------------------+-----------------------+
| 24    | DG      | B        | 101       | XR2         | B            | False     | 2.55     | 3.06     | 112.05    | False     | 993      | N3        | 743         | O2           | 4.628, -4.236, 0.008  | 2.037, -3.873, 1.593  | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+-----------------------+-----------------------+
| 25    | DT      | B        | 101       | XR2         | B            | False     | 2.50     | 2.93     | 105.84    | False     | 968      | Nam       | 776         | O2           | 4.093, -9.535, 3.674  | 2.013, -7.587, 3.012  | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+-----------------------+-----------------------+
| 25    | DT      | B        | 101       | XR2         | B            | False     | 2.38     | 3.20     | 140.86    | False     | 971      | N3        | 776         | O2           | 4.996, -7.134, 1.939  | 2.013, -7.587, 3.012  | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+-----------------------+-----------------------+


**pi-Stacking**
+-------+---------+----------+-----------+-------------+--------------+-------------------------+----------+-------+--------+------+-------------------------+-------------------------+------------------------+
| RESNR | RESTYPE | RESCHAIN | RESNR_LIG | RESTYPE_LIG | RESCHAIN_LIG | PROT_IDX_LIST           | CENTDIST | ANGLE | OFFSET | TYPE | LIG_IDX_LIST            | LIGCOO                  | PROTCOO                | 
+=======+=========+==========+===========+=============+==============+=========================+==========+=======+========+======+=========================+=========================+========================+
| 6     | DA      | A        | 101       | XR2         | B            | 173,174,176,177,178,179 | 3.54     | 6.52  | 1.58   | P    | 959,960,961,962,963,964 | -0.727, -10.688, -0.494 | -0.114, -7.468, -1.843 | 
+-------+---------+----------+-----------+-------------+--------------+-------------------------+----------+-------+--------+------+-------------------------+-------------------------+------------------------+
| 23    | DC      | B        | 101       | XR2         | B            | 708,709,711,712,714,715 | 3.20     | 6.09  | 1.01   | P    | 982,983,986,987,988,989 | 1.059, -0.998, 3.786    | 0.495, 2.083, 4.416    | 
+-------+---------+----------+-----------+-------------+--------------+-------------------------+----------+-------+--------+------+-------------------------+-------------------------+------------------------+
| 24    | DG      | B        | 101       | XR2         | B            | 741,742,744,745,747,748 | 3.52     | 10.18 | 1.40   | P    | 980,981,982,983,984,985 | 0.481, -1.017, 1.481    | -0.377, -4.169, 2.789  | 
+-------+---------+----------+-----------+-------------+--------------+-------------------------+----------+-------+--------+------+-------------------------+-------------------------+------------------------+
| 24    | DG      | B        | 101       | XR2         | B            | 738,739,740,741,748     | 3.29     | 9.95  | 0.95   | P    | 982,983,986,987,988,989 | 1.059, -0.998, 3.786    | 0.440, -4.102, 4.694   | 
+-------+---------+----------+-----------+-------------+--------------+-------------------------+----------+-------+--------+------+-------------------------+-------------------------+------------------------+
| 24    | DG      | B        | 101       | XR2         | B            | 741,742,744,745,747,748 | 3.62     | 10.02 | 1.64   | P    | 982,983,986,987,988,989 | 1.059, -0.998, 3.786    | -0.377, -4.169, 2.789  | 
+-------+---------+----------+-----------+-------------+--------------+-------------------------+----------+-------+--------+------+-------------------------+-------------------------+------------------------+
| 25    | DT      | B        | 101       | XR2         | B            | 771,772,774,775,777,779 | 3.87     | 7.15  | 1.76   | P    | 955,956,957,958,959,960 | 0.044, -10.843, 1.751   | -0.523, -7.634, 3.840  | 
+-------+---------+----------+-----------+-------------+--------------+-------------------------+----------+-------+--------+------+-------------------------+-------------------------+------------------------+
| 25    | DT      | B        | 101       | XR2         | B            | 771,772,774,775,777,779 | 3.61     | 7.11  | 1.07   | P    | 951,952,953,954,955,956 | 0.763, -11.004, 4.006   | -0.523, -7.634, 3.840  | 
+-------+---------+----------+-----------+-------------+--------------+-------------------------+----------+-------+--------+------+-------------------------+-------------------------+------------------------+
| 26    | DG      | B        | 101       | XR2         | B            | 806,807,809,810,812,813 | 3.00     | 6.28  | 0.96   | P    | 959,960,961,962,963,964 | -0.727, -10.688, -0.494 | -1.325, -13.571, 0.052 | 
+-------+---------+----------+-----------+-------------+--------------+-------------------------+----------+-------+--------+------+-------------------------+-------------------------+------------------------+



XR2:B:102 (XR2) - SMALLMOLECULE
-------------------------------
Interacting chain(s): A,B


**Hydrophobic Interactions**
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+-----------------------+------------------------+
| RESNR | RESTYPE | RESCHAIN | RESNR_LIG | RESTYPE_LIG | RESCHAIN_LIG | DIST | LIGCARBONIDX | PROTCARBONIDX | LIGCOO                | PROTCOO                | 
+=======+=========+==========+===========+=============+==============+======+==============+===============+=======================+========================+
| 9     | DG      | A        | 102       | XR2         | B            | 3.22 | 1033         | 263           | -4.250, 9.041, -0.333 | -6.789, 7.273, -1.224  | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+-----------------------+------------------------+
| 10    | DT      | A        | 102       | XR2         | B            | 3.26 | 1032         | 304           | -3.803, 9.020, -1.646 | -5.279, 11.921, -1.685 | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+-----------------------+------------------------+
| 20    | DC      | B        | 102       | XR2         | B            | 3.01 | 1059         | 622           | 2.234, 17.339, -3.639 | 3.081, 14.511, -3.057  | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+-----------------------+------------------------+
| 21    | DA      | B        | 102       | XR2         | B            | 3.25 | 1042         | 644           | 2.427, 8.194, 2.029   | 4.728, 10.040, 3.389   | 
+-------+---------+----------+-----------+-------------+--------------+------+--------------+---------------+-----------------------+------------------------+


**Hydrogen Bonds**
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| RESNR | RESTYPE | RESCHAIN | RESNR_LIG | RESTYPE_LIG | RESCHAIN_LIG | SIDECHAIN | DIST_H-A | DIST_D-A | DON_ANGLE | PROTISDON | DONORIDX | DONORTYPE | ACCEPTORIDX | ACCEPTORTYPE | LIGCOO                 | PROTCOO                | 
+=======+=========+==========+===========+=============+==============+===========+==========+==========+===========+===========+==========+===========+=============+==============+========================+========================+
| 10    | DT      | A        | 102       | XR2         | B            | False     | 2.18     | 3.01     | 142.29    | False     | 1073     | N3        | 303         | O2           | -2.882, 14.310, -3.899 | -2.956, 11.829, -2.188 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 10    | DT      | A        | 102       | XR2         | B            | False     | 2.34     | 2.82     | 108.94    | False     | 1048     | Nam       | 303         | O2           | -2.560, 9.826, -4.126  | -2.956, 11.829, -2.188 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 10    | DT      | A        | 102       | XR2         | B            | False     | 1.92     | 2.90     | 173.65    | False     | 1051     | N3        | 303         | O2           | -0.894, 12.114, -4.201 | -2.956, 11.829, -2.188 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 20    | DC      | B        | 102       | XR2         | B            | False     | 3.05     | 3.69     | 122.14    | True      | 621      | Npl       | 1073        | N3           | -2.882, 14.310, -3.899 | 0.689, 14.527, -2.998  | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+
| 21    | DA      | B        | 102       | XR2         | B            | False     | 2.86     | 3.43     | 116.46    | True      | 651      | N3        | 1051        | N3           | -0.894, 12.114, -4.201 | -0.406, 11.674, -0.835 | 
+-------+---------+----------+-----------+-------------+--------------+-----------+----------+----------+-----------+-----------+----------+-----------+-------------+--------------+------------------------+------------------------+


**pi-Stacking**
+-------+---------+----------+-----------+-------------+--------------+-------------------------+----------+-------+--------+------+-------------------------------+-----------------------+-----------------------+
| RESNR | RESTYPE | RESCHAIN | RESNR_LIG | RESTYPE_LIG | RESCHAIN_LIG | PROT_IDX_LIST           | CENTDIST | ANGLE | OFFSET | TYPE | LIG_IDX_LIST                  | LIGCOO                | PROTCOO               | 
+=======+=========+==========+===========+=============+==============+=========================+==========+=======+========+======+===============================+=======================+=======================+
| 9     | DG      | A        | 102       | XR2         | B            | 265,266,267,268,275     | 3.87     | 10.50 | 1.29   | P    | 1031,1032,1033,1034,1035,1036 | -2.890, 8.888, -0.620 | -3.918, 5.368, -1.844 | 
+-------+---------+----------+-----------+-------------+--------------+-------------------------+----------+-------+--------+------+-------------------------------+-----------------------+-----------------------+
| 9     | DG      | A        | 102       | XR2         | B            | 268,269,271,272,274,275 | 3.45     | 10.50 | 0.63   | P    | 1031,1032,1033,1034,1035,1036 | -2.890, 8.888, -0.620 | -2.718, 5.477, -0.156 | 
+-------+---------+----------+-----------+-------------+--------------+-------------------------+----------+-------+--------+------+-------------------------------+-----------------------+-----------------------+
| 9     | DG      | A        | 102       | XR2         | B            | 268,269,271,272,274,275 | 3.76     | 10.41 | 1.69   | P    | 1035,1036,1037,1038,1039,1040 | -0.661, 8.605, 0.141  | -2.718, 5.477, -0.156 | 
+-------+---------+----------+-----------+-------------+--------------+-------------------------+----------+-------+--------+------+-------------------------------+-----------------------+-----------------------+
| 11    | DG      | A        | 102       | XR2         | B            | 333,334,336,337,339,340 | 3.38     | 1.14  | 1.62   | P    | 1062,1063,1066,1067,1068,1069 | -0.262, 17.511, 0.603 | -1.852, 14.592, 1.212 | 
+-------+---------+----------+-----------+-------------+--------------+-------------------------+----------+-------+--------+------+-------------------------------+-----------------------+-----------------------+
| 19    | DC      | B        | 102       | XR2         | B            | 586,587,589,590,592,593 | 3.31     | 2.81  | 1.31   | P    | 1060,1061,1062,1063,1064,1065 | 0.295, 17.434, -1.708 | 1.478, 20.471, -1.115 | 
+-------+---------+----------+-----------+-------------+--------------+-------------------------+----------+-------+--------+------+-------------------------------+-----------------------+-----------------------+
| 21    | DA      | B        | 102       | XR2         | B            | 649,650,652,653,654,655 | 3.56     | 3.87  | 1.72   | P    | 1035,1036,1037,1038,1039,1040 | -0.661, 8.605, 0.141  | 0.494, 11.564, 1.741  | 
+-------+---------+----------+-----------+-------------+--------------+-------------------------+----------+-------+--------+------+-------------------------------+-----------------------+-----------------------+
| 21    | DA      | B        | 102       | XR2         | B            | 646,647,648,649,655     | 3.29     | 3.87  | 0.55   | P    | 1039,1040,1041,1042,1043,1044 | 1.555, 8.323, 0.954   | 2.480, 11.479, 1.127  | 
+-------+---------+----------+-----------+-------------+--------------+-------------------------+----------+-------+--------+------+-------------------------------+-----------------------+-----------------------+
| 21    | DA      | B        | 102       | XR2         | B            | 649,650,652,653,654,655 | 3.50     | 3.92  | 1.41   | P    | 1039,1040,1041,1042,1043,1044 | 1.555, 8.323, 0.954   | 0.494, 11.564, 1.741  | 
+-------+---------+----------+-----------+-------------+--------------+-------------------------+----------+-------+--------+------+-------------------------------+-----------------------+-----------------------+
| 22    | DC      | B        | 102       | XR2         | B            | 678,679,681,682,684,685 | 3.50     | 11.26 | 1.47   | P    | 1039,1040,1041,1042,1043,1044 | 1.555, 8.323, 0.954   | 2.397, 5.184, 2.250   | 
+-------+---------+----------+-----------+-------------+--------------+-------------------------+----------+-------+--------+------+-------------------------------+-----------------------+-----------------------+



