3H6T

crystal structure of the iglur2 ligand-binding core (s1s2j-n754s) in complex with glutamate and cyclothiazide at 2.25 a resolution

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 106
  • Norm. En. per Res.: -2.2375
• Hub Node: A(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
A-B	-26.3137	0.6519	-51.7603	-77.422	49	4	0	2701	2	29	28
A-C	-64.1981	-16.7626	-156.214	-237.1747	106	12	4	8584	2	41	35
B-C	0.0	-1.0252	-8.9916	-10.0168	15	2	0	529	0	6	9

Interface residues

• A-B: ALA134B, ALA165B, ALA41A, ARG163B, ARG172B, ARG180B, ASN29A, ASP139B, ASP257A, ASP38A, ASP58B, GLN244A, GLU166B, GLU176B, GLU243A, GLU24B, GLU30A, GLU42A, GLY245A, HIS46A, LEU241A, LEU246A, LEU247A, LEU250A, LEU39A, LYS144B, LYS183B, LYS185B, LYS20A, LYS240A, LYS249A, LYS253A, LYS258A, LYS45A, LYS50A, LYS60B, MET25A, PHE170B, PRO167B, SER164B, SER168B, SER184B, SER242A, THR131B, THR137B, TYR161B, TYR51A, VAL169B, VAL171B
• A-C: ALA223A, ALA223C, ALA237A, ALA237C, ARG149A, ARG149C, ARG96A, ARG96C, ASN214A, ASN232A, ASN232C, ASN235A, ASN235C, ASP101A, ASP101C, ASP216A, ASP216C, ASP248A, ASP248C, GLN244A, GLN244C, GLU145A, GLU145C, GLU243A, GLU243C, GLU97A, GLU97C, GLU98A, GLU98C, GLY219A, GLY219C, GLY221A, GLY221C, GLY245A, GLY245C, HIS46C, ILE100A, ILE100C, ILE152A, ILE152C, ILE222A, ILE222C, ILE92A, ILE92C, LEU109A, LEU109C, LEU215A, LEU215C, LEU236A, LEU236C, LEU239A, LEU239C, LEU241A, LEU241C, LEU246A, LEU246C, LEU247A, LEU247C, LEU94A, LEU94C, LYS104A, LYS104C, LYS151A, LYS151C, LYS218A, LYS218C, LYS226A, LYS226C, LYS240A, LYS240C, LYS249A, LYS249C, MET107A, MET107C, PHE102A, PHE102C, PHE106A, PHE106C, PHE146A, PHE146C, PHE155A, PHE155C, PRO105A, PRO105C, SER103A, SER103C, SER108A, SER108C, SER142A, SER142C, SER150A, SER150C, SER217A, SER217C, SER242A, SER242C, THR91A, THR91C, THR93A, THR93C, VAL238A, VAL238C, VAL95A, VAL95C, VAL99A, VAL99C
• B-C: ALA153C, ALA165B, ARG149C, ARG163B, ASP156C, GLN130B, GLU132B, GLU166B, ILE152C, LYS151C, SER164B, THR131B, THR160B, TYR161B, VAL154C