1N0T

x-ray structure of the glur2 ligand-binding core (s1s2j) in complex with the antagonist (s)-atpo at 2.1 a resolution.

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 47
  • Norm. En. per Res.: -2.7862
• Hub Node: A(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
A-B	-5.7803	-38.9909	-86.1811	-130.9523	47	1	0	3983	2	18	27
A-C	-40.8083	-10.8556	-201.1	-252.764	111	5	5	9652	4	47	39
A-D	0.0	0.0	-0.1306	-0.1306	5	0	0	22	0	0	0
B-C	0.0	0.0	-0.0015	-0.0015	2	0	0	1	0	0	0
B-D	-41.3095	-21.6644	-198.571	-261.5449	110	4	5	9527	4	48	39
C-D	0.0	-4.3907	-35.1634	-39.5541	38	0	0	1980	0	17	23

Interface residues

• A-B: ALA83B, ARG64B, ARG96B, ASP101B, ASP126A, ASP207A, ASP84B, GLN130A, GLU122A, GLU132A, GLU77B, GLU97B, GLU98B, GLY118A, GLY186A, GLY227B, GLY76B, GLY81B, ILE100B, ILE115A, ILE121A, ILE133A, ILE70B, LEU78B, LYS116A, LYS117A, LYS185A, LYS187A, LYS226B, LYS69B, LYS82B, MET209A, PRO120A, PRO225B, SER184A, SER228B, SER229B, THR119A, THR131A, THR224B, THR68B, TRP71B, TYR80B, VAL211A, VAL75B, VAL79B, VAL99B
• A-C: ALA223C, ALA233A, ALA233C, ALA237A, ALA237C, ARG149A, ARG149C, ARG96A, ARG96C, ASN232A, ASN232C, ASN235A, ASN235C, ASN242A, ASN242C, ASN252A, ASN252C, ASP101A, ASP101C, ASP216A, ASP216C, ASP248A, ASP248C, GLN244A, GLN244C, GLU145A, GLU145C, GLU243A, GLU243C, GLU97A, GLU97C, GLU98A, GLU98C, GLY219A, GLY219C, GLY221A, GLY221C, GLY245A, GLY245C, HIS46A, 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, LYS251C, MET107A, MET107C, PHE102A, PHE102C, PHE106A, PHE106C, PHE146A, PHE146C, PHE155A, PHE155C, PRO105A, PRO105C, SER103A, SER103C, SER108A, SER108C, SER142A, SER142C, SER150A, SER150C, SER217A, SER217C, THR91A, THR91C, THR93A, THR93C, TYR220A, VAL238A, VAL238C, VAL95A, VAL95C, VAL99A, VAL99C
• A-D: ASN232D, ASP126A, GLU122A, LEU236D, LYS129A
• B-C: ASN232B, GLU122C
• B-D: ALA223B, ALA233B, ALA233D, ALA237B, ALA237D, ARG149B, ARG149D, ARG96B, ARG96D, ASN232B, ASN232D, ASN235B, ASN235D, ASN242B, ASN242D, ASN252B, ASN252D, ASP101B, ASP101D, ASP216B, ASP216D, ASP248B, ASP248D, GLN244B, GLN244D, GLU145D, GLU243B, GLU243D, GLU97B, GLU97D, GLU98B, GLU98D, GLY219B, GLY219D, GLY221B, GLY221D, GLY245B, GLY245D, HIS46B, HIS46D, 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, MET107B, MET107D, PHE102B, PHE102D, PHE106B, PHE106D, PHE146B, PHE146D, PHE155B, PHE155D, PRO105B, PRO105D, SER103B, SER103D, SER108B, SER108D, SER142B, SER142D, SER150B, SER150D, SER217B, SER217D, THR91B, THR91D, THR93B, THR93D, TYR220B, TYR220D, VAL238B, VAL238D, VAL95B, VAL95D, VAL99B, VAL99D
• C-D: ALA83D, ARG64D, ASP207C, ASP67D, ASP84D, CYS206C, CYS261C, GLU122C, GLU132C, GLU77D, GLU98D, GLY118C, GLY186C, GLY227D, GLY76D, GLY81D, ILE133C, ILE70D, LEU78D, LYS116C, LYS117C, LYS185C, LYS187C, LYS226D, LYS69D, LYS82D, MET209C, PRO120C, PRO205C, PRO225D, SER184C, THR119C, THR208C, THR68D, TRP71D, TYR80D, VAL79D, VAL99D