2EJ3

crystal structure of t.th.hb8 branched-chain amino acid aminotransferase complexed with gabapentin

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 87
  • Norm. En. per Res.: -2.4131
• 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	-35.1533	30.2025	-187.048	-191.9988	86	10	2	8080	1	44	36
A-C	-34.646	7.8565	-183.193	-209.9825	92	13	2	8233	2	45	37
B-C	-37.1028	15.3223	-188.162	-209.9426	87	5	2	7844	1	43	36

Interface residues

• A-B: ALA147A, ALA151B, ALA158B, ALA192B, ALA240A, ALA240B, ALA248A, ALA64B, ARG148B, ARG203A, ARG239A, ARG239B, ARG242A, ARG269A, ARG52B, ARG59B, ARG68B, ASN152B, ASN163B, ASN215B, ASN62B, ASP186A, ASP186B, ASP204A, ASP243A, ASP249A, ASP267A, GLN236A, GLN244A, GLU187A, GLU187B, GLU188A, GLU188B, GLU211A, GLU211B, GLU217B, GLU234A, GLU55B, GLY156B, GLY189A, GLY272A, GLY274A, HIS212B, ILE219B, ILE266A, ILE271A, LEU112B, LEU185A, LEU216B, LEU245A, LEU67B, LYS157B, LYS159B, LYS229B, LYS273A, LYS58B, LYS65B, MET154B, MET247A, MET265A, MET69B, PHE149B, PHE201A, PRO150B, PRO155B, PRO270A, SER213B, SER264A, SER63B, THR143A, THR241A, TRP268A, TYR190A, TYR190B, TYR208A, TYR246A, TYR61B, VAL153B, VAL160B, VAL191A, VAL191B, VAL214B, VAL237A, VAL237B, VAL238A, VAL66B
• A-C: ALA147C, ALA151A, ALA158A, ALA192A, ALA240A, ALA240C, ALA248C, ALA64A, ARG148A, ARG203C, ARG221A, ARG239A, ARG239C, ARG242C, ARG269C, ARG52A, ARG59A, ARG68A, ASN152A, ASN163A, ASN215A, ASN62A, ASP186A, ASP186C, ASP204C, ASP243C, ASP249C, ASP267C, GLN236C, GLN244C, GLU187A, GLU187C, GLU188A, GLU188C, GLU211A, GLU211C, GLU217A, GLU234C, GLU55A, GLU70A, GLY156A, GLY189C, GLY272C, GLY274C, HIS212A, ILE219A, ILE266C, ILE271C, LEU112A, LEU185C, LEU210A, LEU216A, LEU245C, LEU67A, LYS157A, LYS159A, LYS229A, LYS273C, LYS58A, LYS65A, MET154A, MET247C, MET265C, MET69A, PHE149A, PHE201C, PRO111A, PRO150A, PRO155A, PRO270C, SER144C, SER213A, SER264C, SER63A, THR143C, THR241C, TRP268C, TYR190A, TYR190C, TYR208C, TYR246C, TYR61A, VAL153A, VAL160A, VAL191A, VAL191C, VAL214A, VAL237A, VAL237C, VAL238A, VAL238C, VAL66A
• B-C: ALA147B, ALA151C, ALA158C, ALA192C, ALA240B, ALA240C, ALA248B, ALA64C, ARG148C, ARG203B, ARG239B, ARG239C, ARG242B, ARG269B, ARG52C, ARG59C, ARG68C, ASN152C, ASN163C, ASN215C, ASN62C, ASP186B, ASP186C, ASP204B, ASP243B, ASP249B, ASP267B, GLN236B, GLN244B, GLU187B, GLU187C, GLU188B, GLU188C, GLU211B, GLU211C, GLU217C, GLU234B, GLU55C, GLY156C, GLY189B, GLY272B, GLY274B, HIS212C, ILE219C, ILE266B, ILE271B, LEU112C, LEU185B, LEU216C, LEU245B, LEU67C, LYS157C, LYS229C, LYS273B, LYS58C, LYS65C, MET154C, MET247B, MET265B, MET69C, PHE149C, PHE201B, PRO111C, PRO150C, PRO155C, PRO270B, SER144B, SER213C, SER264B, SER63C, THR143B, THR241B, TRP268B, TYR190B, TYR190C, TYR208B, TYR246B, TYR61C, VAL153C, VAL160C, VAL191B, VAL191C, VAL214C, VAL237B, VAL237C, VAL238B, VAL66C