2COJ

crystal structure of reduced human cytosolic branched-chain aminotransferase complexed with gabapentin

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 206
  • Norm. En. per Res.: -3.8789
• Hub Node: A(1)

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	-107.6422	32.0043	-723.423	-799.0609	206	21	20	28260	0	27	24

Interface residues

• A-B: ALA124A, ALA124B, ALA127A, ALA127B, ALA213A, ALA213B, ALA233A, ALA233B, ALA87A, ALA87B, ALA91A, ALA91B, ARG122A, ARG122B, ARG126A, ARG126B, ARG163A, ARG163B, ARG212A, ARG212B, ASN226A, ASN226B, ASN78A, ASN78B, CYS221B, CYS235A, CYS235B, GLN234A, GLN234B, GLN244A, GLN244B, GLN77A, GLN77B, GLU170A, GLU170B, GLU236A, GLU236B, GLU251B, GLU93A, GLU93B, GLU96A, GLU96B, GLY168A, GLY168B, GLY174A, GLY174B, GLY216A, GLY216B, GLY217A, GLY217B, GLY219A, GLY219B, GLY224A, GLY224B, GLY225A, GLY225B, GLY228A, GLY228B, GLY250A, GLY250B, GLY50A, GLY50B, GLY84A, GLY84B, GLY97A, GLY97B, HIS82A, HIS82B, HIS89A, HIS89B, ILE162A, ILE162B, ILE167A, ILE167B, ILE284B, LEU129A, LEU129B, LEU173A, LEU173B, LEU182A, LEU182B, LEU186A, LEU186B, LEU187A, LEU187B, LEU231A, LEU231B, LEU58B, LEU76A, LEU76B, LEU79A, LEU79B, LEU81A, LEU81B, LEU88A, LEU88B, LEU94A, LEU94B, LYS176A, LYS176B, LYS177A, LYS177B, LYS180A, LYS180B, LYS209A, LYS209B, LYS215A, LYS215B, LYS222A, LYS222B, LYS39A, LYS39B, LYS74B, MET223A, MET223B, MET57A, MET57B, PHE166A, PHE166B, PHE184A, PHE184B, PHE232A, PHE232B, PHE49A, PHE49B, PHE53A, PHE53B, PHE95A, PHE95B, PRO164A, PRO164B, PRO171A, PRO171B, PRO178A, PRO178B, PRO189B, PRO208A, PRO208B, PRO75A, PRO75B, PRO83A, PRO83B, SER123A, SER123B, SER172A, SER172B, SER188A, SER188B, SER229A, SER229B, SER230A, SER230B, SER80A, SER80B, SER85A, SER85B, SER86A, SER86B, THR128A, THR128B, THR165A, THR165B, THR169A, THR169B, THR218A, THR218B, THR260A, THR260B, THR51A, THR51B, THR59A, THR59B, TRP214A, TRP214B, TRP247A, TRP247B, TYR161A, TYR161B, TYR193A, TYR193B, TYR210A, TYR210B, TYR227A, TYR227B, TYR249A, TYR249B, TYR90A, TYR90B, VAL125A, VAL125B, VAL175A, VAL175B, VAL185A, VAL185B, VAL190A, VAL190B, VAL211A, VAL211B, VAL238A, VAL238B, VAL48A, VAL48B, VAL52A, VAL52B, VAL92A, VAL92B