2AL4

crystal structure of the glur2 ligand binding core (s1s2j) in complex with quisqualate and cx614.

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: B-E
  • Int. Res.: 106
  • Norm. En. per Res.: -2.3863
• 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	-25.1191	1.5541	-55.9891	-79.5541	41	2	0	2475	4	29	24
A-C	-51.0817	-8.0941	-175.368	-234.5439	107	6	4	8299	3	38	33
B-C	0.0	0.0	-0.8759	-0.8759	9	0	0	105	0	4	5
B-E	-67.84	-11.5709	-173.537	-252.9479	106	8	4	8410	4	38	31
D-E	-25.8597	1.9576	-56.8483	-80.7503	41	2	0	2511	4	29	24
D-F	-50.6095	-8.1599	-174.809	-233.5783	106	6	4	8281	3	38	33
E-F	0.0	0.0	-0.8766	-0.8766	9	0	0	106	0	4	5

Interface residues

• A-B: ALA134B, ALA165B, ALA41A, ARG163B, ARG172B, ARG180B, ASN242A, ASN29A, ASP139B, ASP257A, ASP38A, GLN244A, GLU166B, GLU176B, GLU243A, GLU30A, GLU42A, GLY245A, HIS46A, LEU241A, LEU246A, LEU247A, LEU250A, LEU39A, LYS144B, LYS185B, LYS20A, LYS240A, LYS249A, LYS253A, LYS258A, LYS45A, PHE170B, PRO167B, SER164B, SER168B, THR131B, TYR161B, TYR51A, VAL169B, VAL171B
• A-C: ALA223A, ALA223C, ALA233A, ALA233C, ALA237A, ALA237C, ARG149A, ARG149C, ARG96A, ARG96C, ASN232A, ASN232C, ASN235A, ASN235C, ASN242A, ASN242C, ASP101A, ASP101C, ASP216A, ASP216C, ASP248A, ASP248C, GLN244A, GLN244C, GLU145A, GLU145C, GLU243A, GLU243C, GLU97A, GLU97C, GLU98A, GLU98C, GLY219A, GLY219C, GLY221A, GLY221C, GLY245A, GLY245C, ILE100A, ILE100C, ILE152A, ILE152C, ILE222A, ILE222C, ILE92A, ILE92C, LEU109A, LEU109C, LEU215A, LEU215C, LEU236A, LEU236C, LEU239A, LEU239C, LEU241A, LEU241C, LEU246A, 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, THR91A, THR91C, THR93A, THR93C, TYR220A, TYR220C, VAL238A, VAL238C, VAL95A, VAL95C, VAL99A, VAL99C
• B-C: ALA153C, ALA165B, ASP156C, ILE152C, LYS151C, SER164B, THR131B, TYR161B, VAL154C
• B-E: ALA223B, ALA223E, ALA237B, ALA237E, ARG149B, ARG149E, ARG96B, ARG96E, ASN232B, ASN232E, ASN235B, ASN235E, ASN242B, ASN242E, ASP101B, ASP101E, ASP216B, ASP216E, ASP248B, ASP248E, GLN244B, GLN244E, GLU145B, GLU145E, GLU243B, GLU243E, GLU97B, GLU97E, GLU98B, GLU98E, GLY219B, GLY219E, GLY221B, GLY221E, GLY245B, GLY245E, ILE100B, ILE100E, 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, MET107B, MET107E, PHE102B, PHE102E, PHE106B, PHE106E, PHE146B, PHE146E, PHE155B, PHE155E, PRO105B, PRO105E, SER103B, SER103E, SER108B, SER108E, SER142B, SER142E, SER150B, SER150E, SER217B, SER217E, THR91B, THR91E, THR93B, THR93E, TYR220B, TYR220E, VAL238B, VAL238E, VAL95B, VAL95E, VAL99B, VAL99E
• D-E: ALA134E, ALA165E, ALA41D, ARG163E, ARG172E, ARG180E, ASN242D, ASN29D, ASP139E, ASP257D, ASP38D, GLN244D, GLU166E, GLU176E, GLU243D, GLU30D, GLU42D, GLY245D, HIS46D, LEU241D, LEU246D, LEU247D, LEU250D, LEU39D, LYS144E, LYS185E, LYS20D, LYS240D, LYS249D, LYS253D, LYS258D, LYS45D, PHE170E, PRO167E, SER164E, SER168E, THR131E, TYR161E, TYR51D, VAL169E, VAL171E
• D-F: ALA223D, ALA223F, ALA233D, ALA233F, ALA237D, ALA237F, ARG149D, ARG149F, ARG96D, ARG96F, ASN232D, ASN232F, ASN235D, ASN235F, ASN242D, ASN242F, ASP101D, ASP101F, ASP216D, ASP216F, ASP248D, ASP248F, GLN244D, GLN244F, GLU145D, GLU145F, GLU243D, GLU243F, GLU97D, GLU97F, GLU98D, GLU98F, GLY219D, GLY219F, GLY221D, GLY221F, GLY245D, GLY245F, ILE100D, ILE100F, ILE152D, ILE152F, ILE222D, ILE222F, ILE92D, ILE92F, LEU109D, LEU215D, LEU215F, LEU236D, LEU236F, LEU239D, LEU239F, LEU241D, LEU241F, LEU246D, LEU247D, LEU247F, LEU94D, LEU94F, LYS104D, LYS104F, LYS151D, LYS151F, LYS218D, LYS218F, LYS226D, LYS226F, LYS240D, LYS240F, LYS249D, LYS249F, MET107D, MET107F, PHE102D, PHE102F, PHE106D, PHE106F, PHE146D, PHE146F, PHE155D, PHE155F, PRO105D, PRO105F, SER103D, SER103F, SER108D, SER108F, SER142D, SER142F, SER150D, SER150F, SER217D, SER217F, THR91D, THR91F, THR93D, THR93F, TYR220D, TYR220F, VAL238D, VAL238F, VAL95D, VAL95F, VAL99D, VAL99F
• E-F: ALA153F, ALA165E, ASP156F, ILE152F, LYS151F, SER164E, THR131E, TYR161E, VAL154F