3PD8

x-ray structure of the ligand-binding core of glua2 in complex with (s)-7-hpca at 2.5 a resolution

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 109
  • Norm. En. per Res.: -2.0287
• 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	-47.8738	-5.5784	-167.674	-221.1262	109	7	4	8685	3	42	35
A-C	0.0	0.0	-6.8422	-6.8422	15	0	0	454	0	7	9
B-C	-22.4903	-0.8277	-49.3436	-72.6615	49	3	0	2525	5	30	29

Interface residues

• A-B: ALA220A, ALA220B, ALA230A, ALA230B, ALA234A, ALA234B, ARG146A, ARG146B, ARG93A, ARG93B, ASN211A, ASN229A, ASN229B, ASN232A, ASN232B, ASN239A, ASN239B, ASP213A, ASP213B, ASP245A, ASP245B, ASP98A, ASP98B, GLN241A, GLN241B, GLU142A, GLU142B, GLU240A, GLU240B, GLU94A, GLU94B, GLU95A, GLU95B, GLY216A, GLY216B, GLY218A, GLY218B, GLY242A, GLY242B, HIS43A, ILE149A, ILE149B, ILE219A, ILE219B, ILE89A, ILE89B, ILE97A, ILE97B, LEU106A, LEU106B, LEU212A, LEU212B, LEU233A, LEU233B, LEU236A, LEU236B, LEU238A, LEU238B, LEU244A, LEU244B, LEU91A, LEU91B, LYS101A, LYS101B, LYS148A, LYS148B, LYS215A, LYS215B, LYS223A, LYS223B, LYS237A, LYS237B, LYS246B, LYS248A, LYS248B, MET104A, MET104B, PHE103A, PHE103B, PHE143A, PHE143B, PHE152A, PHE152B, PHE99A, PHE99B, PRO102A, PRO102B, SER100A, SER100B, SER105A, SER105B, SER139A, SER139B, SER147A, SER147B, SER214A, SER214B, THR88A, THR88B, THR90A, THR90B, TYR217A, TYR217B, VAL235A, VAL235B, VAL92A, VAL92B, VAL96A, VAL96B
• A-C: ALA150A, ALA162C, ARG146A, ARG160C, ASP153A, GLN127C, GLU129C, GLU163C, ILE149A, LYS148A, SER161C, THR128C, THR157C, TYR158C, VAL151A
• B-C: ALA131C, ALA162C, ALA38B, ARG160C, ARG169C, ARG177C, ASN0B, ASN239B, ASN26B, ASP136C, ASP254B, ASP35B, ASP55C, GLN241B, GLU129C, GLU163C, GLU173C, GLU240B, GLU27B, GLU39B, GLY242B, HIS43B, ILE67C, LEU238B, LEU243B, LEU244B, LEU247B, LEU36B, LYS141C, LYS17B, LYS180C, LYS182C, LYS237B, LYS246B, LYS250B, LYS255B, LYS42B, LYS47B, LYS57C, PHE167C, PRO164C, SER161C, SER165C, SER181C, THR128C, TYR158C, TYR48B, VAL166C, VAL168C