2QS4

crystal structure of the glur5 ligand binding core dimer in complex with ly466195 at 1.58 angstroms resolution

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 135
  • Norm. En. per Res.: -2.5385
• 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-C	-28.0144	-46.4109	-144.328	-218.7533	105	2	3	7184	6	47	46
A-D	-60.509	23.1097	-305.295	-342.6943	135	8	0	13407	0	59	56
B-D	-5.5856	-15.1709	-133.327	-154.0835	103	1	1	5934	3	52	40

Interface residues

• A-C: ALA233C, ARG227A, ARG227C, ARG95A, ARG95C, ASP100A, ASP100C, ASP121A, ASP121C, ASP212A, ASP212C, ASP228A, ASP228C, GLN206A, GLN206C, GLN236A, GLN236C, GLN238A, GLN238C, GLU239A, GLU239C, GLU240A, GLU240C, GLU248C, GLU96A, GLU96C, GLY109A, GLY208A, GLY208C, GLY209A, GLY209C, GLY215A, GLY215C, GLY223A, GLY223C, GLY241A, GLY241C, HIS244A, HIS244C, ILE110A, ILE151A, ILE151C, ILE207C, ILE211A, ILE222A, ILE222C, ILE232A, ILE232C, ILE234A, ILE234C, ILE46C, ILE91A, ILE91C, ILE99A, ILE99C, LEU108A, LEU108C, LEU210A, LEU210C, LEU235A, LEU235C, LEU237A, LEU237C, LEU243A, LEU243C, LYS103A, LYS103C, LYS148A, LYS150A, LYS214A, LYS214C, LYS229C, LYS242C, LYS97A, LYS97C, MET106C, MET245C, PHE101A, PHE101C, PHE105C, PHE145A, PRO104A, PRO104C, PRO119A, SER102A, SER102C, SER149A, SER152A, SER213A, SER213C, THR107A, THR107C, THR153A, THR231A, THR231C, THR90A, THR92A, THR92C, TYR154A, TYR93A, TYR93C, VAL94A, VAL94C, VAL98A, VAL98C
• A-D: ALA168A, ALA168D, ARG115A, ARG115D, ARG138A, ARG138D, ARG164A, ARG164D, ARG179A, ARG179D, ARG20A, ARG20D, ARG31A, ARG31D, ARG81A, ARG81D, ASN172A, ASN172D, ASN201A, ASN201D, ASN203A, ASN203D, ASN71A, ASN71D, ASP139A, ASP139D, ASP174A, ASP174D, ASP184A, ASP184D, ASP23A, ASP23D, ASP30A, ASP30D, ASP58A, ASP58D, ASP79A, ASP79D, GLN165A, GLN165D, GLN166A, GLN166D, GLN178A, GLN178D, GLU133A, GLU133D, GLU13A, GLU13D, GLU14A, GLU14D, GLU175A, GLU175D, GLU33A, GLU33D, GLU76A, GLU76D, GLY176A, GLY176D, GLY28A, GLY28D, GLY59A, GLY59D, GLY72A, GLY72D, ILE11A, ILE11D, ILE132A, ILE132D, ILE177A, ILE177D, LEU12A, LEU12D, LEU169A, LEU169D, LEU181A, LEU181D, LEU204A, LEU26A, LEU26D, LEU55A, LEU55D, LYS131A, LYS131D, LYS171A, LYS171D, LYS21A, LYS21D, LYS24A, LYS24D, LYS54A, LYS54D, LYS60A, LYS60D, LYS75A, LYS75D, MET18A, MET18D, MET73A, MET73D, PHE32A, PHE32D, PRO25A, PRO25D, PRO57A, PRO57D, SER163A, SER163D, SER167A, SER167D, SER22A, SER22D, THR118A, THR118D, THR182A, THR182D, THR183A, THR183D, TYR114A, TYR114D, TYR185A, TYR185D, TYR19A, TYR19D, TYR27A, TYR27D, TYR61A, TYR61D, VAL170A, VAL170D, VAL17A, VAL17D, VAL180A, VAL180D, VAL56A, VAL56D
• B-D: ALA233B, ARG227B, ARG227D, ARG95B, ARG95D, ASP100B, ASP100D, ASP121B, ASP121D, ASP124D, ASP212D, ASP228B, ASP228D, GLN199B, GLN206B, GLN206D, GLN236B, GLN236D, GLN238B, GLN238D, GLU239B, GLU239D, GLU240B, GLU240D, GLU248B, GLU96B, GLU96D, GLY109D, GLY117D, GLY208B, GLY208D, GLY209B, GLY209D, GLY215B, GLY215D, GLY241B, GLY241D, HIS244B, HIS244D, ILE110D, ILE151B, ILE151D, ILE207B, ILE211D, ILE222B, ILE232B, ILE232D, ILE234B, ILE234D, ILE46B, ILE91B, ILE91D, ILE99B, ILE99D, LEU108B, LEU108D, LEU210B, LEU210D, LEU235B, LEU235D, LEU237B, LEU237D, LEU243B, LEU243D, LYS103B, LYS103D, LYS148D, LYS150D, LYS214B, LYS214D, LYS229B, LYS242B, LYS97B, LYS97D, MET106B, MET245B, PHE101B, PHE101D, PHE105B, PHE145D, PRO104B, PRO104D, SER102B, SER102D, SER149D, SER152D, SER213B, SER213D, THR107B, THR107D, THR153D, THR205B, THR231B, THR231D, THR90D, THR92B, THR92D, TYR154D, TYR93B, TYR93D, VAL94B, VAL94D, VAL98B