2J5S

structural of abdh, a beta-diketone hydrolase from the cyanobacterium anabaena sp. pcc 7120 bound to (s)-3- oxocyclohexyl acetic acid

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 121
  • Norm. En. per Res.: -4.1271
• 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	-71.3966	-145.5357	-282.452	-499.3843	121	11	0	10971	12	70	82

Interface residues

• A-B: ALA223A, ALA223B, ALA241A, ALA241B, ALA49B, ARG218A, ARG218B, ARG221A, ARG221B, ARG227A, ARG230A, ARG230B, ARG44A, ARG44B, ARG55A, ARG55B, ARG57A, ARG57B, ARG87A, ARG87B, ASN102A, ASN102B, ASN216A, ASN216B, ASN233A, ASN233B, ASN85A, ASN85B, ASP105A, ASP105B, ASP48A, ASP48B, ASP52A, ASP52B, ASP56A, ASP56B, ASP90A, ASP90B, GLN101A, GLN101B, GLN226A, GLN226B, GLU107A, GLU107B, GLU234A, GLU234B, GLU45A, GLU45B, GLU74A, GLU88A, GLU88B, GLU95A, GLU95B, GLY235A, GLY235B, GLY237A, GLY237B, GLY244A, GLY244B, HIS1B, ILE106A, ILE106B, ILE245A, ILE245B, ILE53A, ILE53B, LEU103A, LEU103B, LEU104A, LEU104B, LEU215A, LEU215B, LEU231A, LEU240A, LEU240B, LYS11A, LYS11B, LYS229A, LYS229B, LYS91A, LYS91B, LYS97A, LYS97B, LYS98A, LYS98B, PHE46B, PHE50A, PHE50B, PRO213A, PRO213B, PRO47A, PRO47B, PRO86A, PRO86B, SER54A, SER54B, THR214A, THR214B, THR225A, THR225B, THR92A, THR92B, TRP89A, TRP89B, TRP94A, TRP94B, TYR12A, TYR12B, TYR219A, TYR219B, TYR238A, TYR238B, TYR51A, TYR51B, TYR93A, TYR93B, VAL222A, VAL222B, VAL37A, VAL99A, VAL99B