3BKI

crystal structure of the glur2 ligand binding core (s1s2j) in complex with fqx at 1.87 angstroms

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: P-C
  • Int. Res.: 109
  • Norm. En. per Res.: -2.5728
• Hub Node: P(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
P-B	0.0	-7.9117	-26.8867	-34.7984	35	0	0	1479	0	13	20
P-C	-56.381	-14.8477	-209.205	-280.4337	109	5	5	9659	4	44	35
P-D	0.0	-13.7091	-85.033	-98.7421	50	1	0	3900	1	17	25
B-C	0.0	0.0	-0.039	-0.039	2	0	0	5	0	0	0
C-D	0.0	0.0	-0.1117	-0.1117	4	0	0	14	0	0	0

Interface residues

• P-B: ALA66B, ALA83B, ARG64B, ASP207P, ASP67B, ASP84B, CYS206P, GLU122P, GLU132P, GLU98B, GLY118P, GLY186P, GLY227B, GLY76B, GLY81B, ILE133P, ILE70B, LEU78B, LYS116P, LYS117P, LYS185P, LYS187P, LYS226B, LYS69B, LYS82B, MET209P, PRO120P, PRO205P, PRO225B, THR119P, THR68B, TRP71B, TYR80B, VAL79B, VAL99B
• P-C: ALA223C, ALA223P, ALA233C, ALA233P, ALA237C, ALA237P, ARG149C, ARG149P, ARG96C, ARG96P, ASN232C, ASN232P, ASN235C, ASN235P, ASN242C, ASN242P, ASN252C, ASN252P, ASP101C, ASP101P, ASP216C, ASP216P, ASP248C, ASP248P, GLN244C, GLN244P, GLU145C, GLU145P, GLU243C, GLU243P, GLU97C, GLU97P, GLU98C, GLU98P, GLY219C, GLY219P, GLY221C, GLY221P, GLY245C, GLY245P, ILE100C, ILE100P, ILE152C, ILE152P, ILE222C, ILE222P, ILE92C, ILE92P, LEU109C, LEU109P, LEU215C, LEU215P, LEU236C, LEU236P, LEU239C, LEU239P, LEU241C, LEU241P, LEU246C, LEU246P, LEU247C, LEU247P, LEU94C, LEU94P, LYS104C, LYS104P, LYS151C, LYS151P, LYS218C, LYS218P, LYS226C, LYS226P, LYS240C, LYS240P, LYS249C, LYS249P, MET107C, MET107P, PHE102C, PHE102P, PHE106C, PHE106P, PHE146C, PHE146P, PHE155C, PHE155P, PRO105C, PRO105P, SER103C, SER103P, SER108C, SER108P, SER142C, SER142P, SER150C, SER150P, SER217C, SER217P, THR91C, THR91P, THR93C, THR93P, TYR220P, VAL238C, VAL238P, VAL95C, VAL95P, VAL99C, VAL99P
• P-D: ALA83P, ARG64P, ARG96P, ASP101P, ASP126D, ASP207D, ASP84P, CYS206D, GLN130D, GLU122D, GLU132D, GLU77P, GLU97P, GLU98P, GLY118D, GLY186D, GLY227P, GLY76P, GLY81P, ILE100P, ILE115D, ILE121D, ILE133D, ILE70P, LEU230P, LEU78P, LYS116D, LYS117D, LYS185D, LYS187D, LYS210D, LYS226P, LYS69P, LYS82P, MET209D, PRO120D, PRO225P, SER184D, SER228P, SER229P, THR119D, THR131D, THR224P, THR68P, TRP71P, TYR80P, VAL211D, VAL75P, VAL79P, VAL99P
• B-C: ASN232B, GLU122C
• C-D: ASN232C, ASP126D, GLU122D, LYS129D