3IJX

crystal structure of the ampa subunit glur2 bound to the allosteric modulator, hydrochlorothiazide

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 106
  • Norm. En. per Res.: -2.0021
• Hub Node: B(2)

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
B-D	-30.931	-21.1331	-160.161	-212.225	106	2	4	8515	2	42	35
B-H	-28.6445	21.2687	-31.0099	-38.3858	39	9	0	1955	2	33	29
D-H	0.0	0.0	-6.6632	-6.6632	14	0	0	508	0	6	8

Interface residues

• B-D: ALA153B, ALA153D, ALA223D, ALA237B, ALA237D, ARG149B, ARG149D, ARG96B, ARG96D, ASN232B, ASN232D, ASN235B, ASN235D, ASP101B, ASP101D, ASP216B, ASP216D, ASP248B, ASP248D, GLN244B, GLN244D, GLU145B, GLU145D, GLU243B, GLU243D, GLU97B, GLU97D, GLU98B, GLU98D, GLY219B, GLY219D, GLY221B, GLY221D, GLY245B, GLY245D, ILE100B, ILE100D, ILE152B, ILE152D, ILE222B, ILE222D, ILE92B, ILE92D, LEU109B, LEU109D, LEU215B, LEU215D, LEU236B, LEU236D, LEU239B, LEU239D, LEU241B, LEU241D, LEU246B, LEU246D, LEU247B, LEU247D, LEU94B, LEU94D, LYS104B, LYS104D, LYS151B, LYS151D, LYS218B, LYS218D, LYS226B, LYS226D, LYS240B, LYS240D, LYS249B, LYS249D, LYS251B, LYS251D, MET107B, MET107D, PHE102B, PHE102D, PHE106B, PHE106D, PHE146B, PHE146D, PHE155B, PHE155D, PRO105B, PRO105D, SER103B, SER103D, SER108B, SER108D, SER142B, SER142D, SER150B, SER150D, SER217B, SER217D, SER242B, SER242D, THR91B, THR91D, THR93B, THR93D, VAL238B, VAL238D, VAL95B, VAL95D, VAL99D
• B-H: ALA134H, ALA165H, ALA41B, ARG163H, ARG172H, ARG180H, ASP139H, ASP257B, ASP38B, ASP67H, GLN244B, GLU166H, GLU176H, GLU30B, GLU42B, GLY245B, GLY48B, HIS46B, ILE43B, LEU241B, LEU246B, LEU247B, LEU250B, LEU39B, LYS183H, LYS185H, LYS240B, LYS249B, LYS253B, LYS258B, LYS45B, PHE170H, PRO167H, SER164H, SER168H, SER184H, THR173H, TYR161H, VAL169H
• D-H: ALA153D, ALA165H, ARG149D, ARG163H, GLN130H, GLU132H, GLU166H, ILE152D, LYS151D, SER164H, THR131H, THR160H, TYR161H, VAL154D