2GE3

crystal structure of probable acetyltransferase from agrobacterium tumefaciens

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 108
  • Norm. En. per Res.: -4.8973
• 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	-121.4692	-57.2419	-318.955	-497.6661	106	19	4	11162	3	43	50
A-C	0.0	0.0	-0.5908	-0.5908	8	0	0	103	0	3	8
B-C	-6.2801	-53.2428	-55.928	-115.4509	44	0	0	2748	3	31	28
C-D	-148.089	-50.3407	-330.481	-528.9107	108	27	5	11729	3	45	53

Interface residues

• A-B: ALA143A, ALA143B, ALA148A, ALA148B, ALA151A, ALA151B, ALA165A, ALA165B, ALA40A, ALA40B, ALA81A, ALA81B, ALA84A, ALA84B, ARG121A, ARG121B, ARG147A, ARG147B, ARG149A, ARG149B, ARG32A, ARG32B, ARG76A, ARG76B, ARG80A, ARG80B, ARG83A, ARG83B, ASN163A, ASN163B, ASP150A, ASP150B, ASP155A, ASP155B, ASP160A, ASP160B, CYS86A, CYS86B, GLN78A, GLN78B, GLU123A, GLU123B, GLU145A, GLU145B, GLU39A, GLU39B, GLY118A, GLY118B, GLY141A, GLY146A, GLY146B, GLY156A, HIS120A, HIS120B, HIS127A, HIS127B, HIS144A, HIS144B, HIS157A, HIS157B, HIS85A, HIS85B, ILE122A, ILE154A, ILE154B, ILE159A, ILE159B, ILE166A, ILE166B, ILE167A, ILE167B, LEU119A, LEU119B, LEU162A, LEU162B, LEU25A, LEU25B, LEU35A, LEU35B, LEU38A, LEU38B, LYS33A, PHE142A, PHE168A, PHE168B, PHE37A, PHE37B, PRO41A, PRO41B, SER125A, SER125B, SER153A, SER153B, SER161A, SER161B, SER36A, SER36B, THR82A, THR82B, THR88A, THR88B, TYR158A, TYR158B, TYR34A, VAL152A, VAL152B
• A-C: ALA81A, ARG80A, ARG98C, ASN56A, ASN99C, ASP6C, ASP79A, LYS100C
• B-C: ALA128C, ALA131C, ALA133C, ALA135C, ALA24B, ALA27B, ALA40B, ALA96C, ARG132C, ARG23B, ARG30B, ARG30C, ARG32B, ARG32C, ARG98C, ASN130C, ASN99C, ASP129C, ASP155B, ASP155C, ASP26B, ASP68B, GLU19B, GLU31B, GLU31C, GLU39B, GLU44B, HIS127C, HIS157C, HIS22B, ILE134C, ILE154C, LEU25B, LEU38B, LEU43B, LEU94B, LEU94C, LYS33C, PHE37B, PRO41B, PRO42B, PRO95C, TYR34C, TYR97C
• C-D: ALA143C, ALA143D, ALA148C, ALA148D, ALA151C, ALA151D, ALA165C, ALA165D, ALA40C, ALA81C, ALA81D, ALA84C, ALA84D, ARG121C, ARG121D, ARG147C, ARG147D, ARG149C, ARG149D, ARG32C, ARG32D, ARG76C, ARG76D, ARG80C, ARG80D, ARG83C, ARG83D, ASN163C, ASN163D, ASP150C, ASP150D, ASP155C, ASP155D, ASP160C, ASP160D, ASP79C, CYS86C, CYS86D, GLN78C, GLN78D, GLU123C, GLU123D, GLU145C, GLU145D, GLU39C, GLU39D, GLY118C, GLY118D, GLY141D, GLY146C, GLY146D, GLY156D, GLY90D, HIS120C, HIS120D, HIS127C, HIS127D, HIS144C, HIS144D, HIS157C, HIS157D, HIS85C, HIS85D, ILE122D, ILE154C, ILE154D, ILE159C, ILE159D, ILE166C, ILE166D, ILE167C, ILE167D, LEU119C, LEU119D, LEU162C, LEU162D, LEU25C, LEU35C, LEU35D, LEU38C, LEU38D, LYS33D, PHE142D, PHE168D, PHE37C, PHE37D, PHE49C, PHE49D, PRO41C, PRO41D, SER125C, SER125D, SER153C, SER153D, SER161C, SER161D, SER29C, SER36C, SER36D, THR82C, THR82D, THR88C, THR88D, TYR158C, TYR158D, TYR34D, VAL152C, VAL152D