3ILT

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

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-E
  • Int. Res.: 117
  • Norm. En. per Res.: -2.5207
• 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-E	-20.1473	-29.4926	-245.278	-294.9179	117	19	6	11800	4	48	44
B-H	-14.2351	37.4812	-45.0743	-21.8282	46	7	0	2492	2	36	41
E-H	0.0	0.2196	-8.6391	-8.4195	15	3	0	537	0	8	8

Interface residues

• B-E: ALA153B, ALA153E, ALA223B, ALA223E, ALA233B, ALA233E, ALA237B, ALA237E, ARG149B, ARG149E, ARG96B, ARG96E, ASN214B, ASN232B, ASN232E, ASN235B, ASN235E, ASP101B, ASP101E, ASP216B, ASP216E, ASP248B, ASP248E, GLN244B, GLN244E, GLU145B, GLU145E, GLU243B, GLU243E, GLU97B, GLU97E, GLU98B, GLU98E, GLY219B, GLY219E, GLY221B, GLY221E, GLY245B, GLY245E, HIS46E, ILE100B, ILE100E, ILE111B, ILE111E, ILE152B, ILE152E, ILE222B, ILE222E, ILE92B, ILE92E, LEU109B, LEU109E, LEU215B, LEU215E, LEU236B, LEU236E, LEU239B, LEU239E, LEU241B, LEU241E, LEU246B, LEU246E, LEU247B, LEU247E, LEU94B, LEU94E, LYS104B, LYS104E, LYS151B, LYS151E, LYS218B, LYS218E, LYS226B, LYS226E, LYS240B, LYS240E, LYS249B, LYS249E, LYS251B, LYS251E, MET107B, MET107E, PHE102B, PHE102E, PHE106B, PHE106E, PHE146B, PHE146E, PHE155B, PHE155E, PRO105B, PRO105E, SER103B, SER103E, SER108B, SER108E, SER142B, SER142E, SER150B, SER150E, SER217B, SER217E, SER242B, SER242E, THR91B, THR91E, THR93B, THR93E, TYR220B, TYR220E, VAL234B, VAL238B, VAL238E, VAL95B, VAL95E, VAL99B, VAL99E
• B-H: ALA134H, ALA165H, ALA179H, ALA41B, ARG163H, ARG172H, ARG180H, ASN22B, ASP139H, ASP257B, ASP38B, ASP65H, GLN244B, GLU166H, GLU176H, GLU243B, GLU30B, GLU33B, GLU42B, GLY245B, GLY48B, HIS46B, LEU241B, LEU246B, LEU247B, LEU250B, LEU39B, LYS144H, LYS183H, LYS185H, LYS20B, LYS21B, LYS240B, LYS249B, LYS253B, LYS258B, LYS45B, PHE170H, PRO167H, SER164H, SER168H, SER184H, THR173H, TRP254B, TYR161H, VAL169H
• E-H: ALA153E, ALA165H, ARG149E, ARG163H, ASP156E, GLU132H, GLU166H, ILE152E, LYS151E, SER150E, SER164H, THR131H, THR160H, TYR161H, VAL154E