2F36

crystal structure of the glur5 ligand binding core dimer with glutamate at 2.1 angstroms resolution

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 118
  • Norm. En. per Res.: -2.4405
• 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	-41.9524	25.4807	-271.507	-287.9787	118	8	5	11434	2	48	49
A-C	-16.7103	16.7171	-115.73	-115.7232	83	8	0	3836	0	15	20
A-D	-33.3333	-1.063	-145.333	-179.7293	97	9	0	6632	0	35	33
B-C	-15.8804	-17.7961	-111.966	-145.6425	87	7	0	5290	0	28	27
C-D	-20.2008	16.1256	-245.042	-249.1172	118	13	6	10994	1	48	49

Interface residues

• A-B: ALA233A, ALA233B, ARG227A, ARG227B, ARG95A, ARG95B, ASP100A, ASP100B, ASP212A, ASP212B, ASP228A, ASP228B, GLN236A, GLN236B, GLN238A, GLN238B, GLU239A, GLU239B, GLU240A, GLU240B, GLU96A, GLU96B, GLY109A, GLY109B, GLY215A, GLY215B, GLY217A, GLY217B, GLY219A, GLY219B, GLY223A, GLY223B, GLY241A, GLY241B, HIS244A, HIS244B, ILE110A, ILE110B, ILE151A, ILE151B, ILE211A, ILE211B, ILE222A, ILE222B, ILE232A, ILE232B, ILE234A, ILE234B, ILE91A, ILE91B, ILE99A, ILE99B, LEU108A, LEU108B, LEU235A, LEU235B, LEU237A, LEU237B, LEU243A, LEU243B, LEU47B, LYS103A, LYS103B, LYS148A, LYS148B, LYS150A, LYS150B, LYS214A, LYS214B, LYS229A, LYS229B, LYS242A, LYS242B, LYS97A, LYS97B, MET106A, MET106B, MET245B, PHE101A, PHE101B, PHE105A, PHE105B, PHE145A, PHE145B, PHE146A, PHE146B, PRO104A, PRO104B, SER102A, SER102B, SER141A, SER141B, SER149A, SER149B, SER213A, SER213B, SER224B, THR107A, THR107B, THR144A, THR144B, THR231A, THR231B, THR90A, THR90B, THR92A, THR92B, TYR154A, TYR154B, TYR216B, TYR93A, TYR93B, VAL218A, VAL218B, VAL94A, VAL94B, VAL98A, VAL98B
• A-C: ALA123A, ALA123C, ARG252A, ARG252C, ASN254A, ASN254C, ASP121A, ASP121C, ASP124A, ASP124C, ASP125A, ASP125C, ASP212A, ASP212C, CYS256A, CYS256C, GLN199A, GLN206A, GLN206C, GLN238A, GLN238C, GLU195C, GLU248A, GLU248C, GLY109A, GLY109C, GLY117A, GLY117C, GLY208A, GLY208C, GLY209A, GLY209C, GLY215A, GLY215C, GLY241A, GLY241C, GLY253A, GLY253C, GLY255A, GLY255C, HIS244A, HIS244C, ILE110A, ILE110C, ILE120A, ILE120C, ILE207A, ILE207C, LEU108A, LEU108C, LEU210A, LEU210C, LYS116A, LYS116C, LYS214A, LYS214C, LYS247A, LYS247C, LYS249C, MET106A, MET106C, MET245A, MET245C, PRO119A, PRO119C, PRO257A, PRO257C, SER122A, SER122C, SER191A, SER191C, SER213A, SER213C, SER258A, SER258C, THR107A, THR107C, THR118A, THR118C, THR192A, THR192C, THR205A, THR205C
• A-D: ARG115A, ARG115D, ARG200A, ARG200D, ARG20A, ARG252D, ARG31A, ASN201A, ASN201D, ASN203A, ASN203D, ASN254A, ASP121D, ASP125D, ASP174A, ASP184A, ASP184D, ASP212D, ASP23A, CYS202A, CYS202D, CYS256A, GLN129D, GLN178A, GLN199A, GLN199D, GLN206D, GLN238D, GLU14A, GLU175A, GLU195D, GLU248D, GLU33A, GLY109D, GLY117A, GLY208D, GLY209D, GLY215D, GLY253A, GLY255A, HIS244D, ILE110D, ILE120D, ILE132D, ILE151D, ILE177A, ILE194D, ILE207D, ILE211D, LEU108D, LEU126D, LEU181A, LEU204A, LEU204D, LEU210D, LEU26A, LYS116A, LYS116D, LYS128D, LYS131D, LYS214D, LYS21A, LYS247D, LYS24A, MET106D, MET18A, MET245D, PHE145D, PRO119A, PRO119D, PRO15A, PRO257A, SER111D, SER122D, SER191D, SER213D, SER22A, SER258A, THR107D, THR118A, THR118D, THR130D, THR182A, THR183A, THR192D, THR198D, THR205D, TRP250A, TRP251D, TYR114D, TYR154D, TYR196A, TYR196D, TYR19A, VAL180A, VAL197A, VAL197D
• B-C: ARG115C, ARG179C, ARG200B, ARG200C, ARG20C, ARG252B, ASN201B, ASN201C, ASN203B, ASN203C, ASN254C, ASP121B, ASP125B, ASP174C, ASP184C, ASP212B, ASP23C, CYS202B, CYS202C, CYS256C, GLN129B, GLN178C, GLN199B, GLN199C, GLN206B, GLU14C, GLU175C, GLU195B, GLU248B, GLU33C, GLY109B, GLY117B, GLY117C, GLY208B, GLY209B, GLY215B, GLY253C, GLY255C, HIS244B, ILE110B, ILE120B, ILE132B, ILE177C, ILE194B, ILE207B, ILE211B, LEU108B, LEU181C, LEU204B, LEU204C, LEU210B, LYS116B, LYS116C, LYS128B, LYS131B, LYS214B, LYS21C, LYS247B, MET106B, MET18C, PHE145B, PRO119B, PRO119C, PRO257C, SER111B, SER122B, SER191B, SER213B, SER22C, SER258C, THR107B, THR118B, THR118C, THR130B, THR182C, THR183C, THR192B, THR198B, THR205B, TRP251B, TYR154B, TYR196B, TYR196C, TYR19C, VAL180C, VAL197B, VAL197C
• C-D: ALA233C, ALA233D, ARG227C, ARG227D, ARG95C, ARG95D, ASP100C, ASP100D, ASP212C, ASP212D, ASP228C, ASP228D, GLN236C, GLN236D, GLN238C, GLN238D, GLU239C, GLU239D, GLU240C, GLU240D, GLU96C, GLU96D, GLY109C, GLY215C, GLY215D, GLY217C, GLY217D, GLY219C, GLY219D, GLY223C, GLY223D, GLY241C, GLY241D, HIS244C, HIS244D, ILE110C, ILE110D, ILE151C, ILE151D, ILE211C, ILE211D, ILE222C, ILE222D, ILE230C, ILE230D, ILE232C, ILE232D, ILE234C, ILE234D, ILE91C, ILE91D, ILE99C, ILE99D, LEU108C, LEU108D, LEU210C, LEU235C, LEU235D, LEU237C, LEU237D, LEU243C, LEU243D, LYS103C, LYS103D, LYS148C, LYS148D, LYS150C, LYS150D, LYS214C, LYS214D, LYS229C, LYS229D, LYS242C, LYS242D, LYS97C, LYS97D, MET106C, MET106D, MET245C, PHE101C, PHE101D, PHE105D, PHE145C, PHE145D, PHE146C, PHE146D, PRO104C, PRO104D, SER102C, SER102D, SER141C, SER141D, SER149C, SER149D, SER213C, SER213D, THR107C, THR107D, THR142C, THR144C, THR144D, THR231C, THR231D, THR90C, THR90D, THR92C, THR92D, TYR154C, TYR154D, TYR216C, TYR93C, TYR93D, VAL218C, VAL218D, VAL94C, VAL94D, VAL98C, VAL98D