3NUV

crystal structure of ketosteroid isomerase d38nd99n from pseudomonas testosteroni (tksi) with 4-androstene-3,17-dione bound

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 94
  • Norm. En. per Res.: -5.3377
• 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	-77.526	-113.0882	-311.134	-501.7482	94	16	15	11664	12	22	27

Interface residues

• A-B: ALA114A, ALA114B, ALA73A, ALA73B, ALA75A, ALA75B, ALA78A, ALA78B, ALA79A, ALA79B, ALA81A, ALA81B, ALA96A, ALA96B, ARG102A, ARG102B, ARG113A, ARG113B, ARG72A, ARG72B, ASN120A, ASN120B, ASN38A, ASN38B, ASN76A, ASN76B, ASN99A, ASN99B, GLN69A, GLN69B, GLU118A, GLU118B, GLU37A, GLU37B, GLU5A, GLU5B, GLU66B, GLU70A, GLU70B, GLU77A, GLU77B, GLY117A, GLY117B, GLY41A, GLY41B, HIS100A, HIS100B, HIS122A, HIS122B, ILE121A, ILE121B, ILE98A, ILE98B, LEU115A, LEU115B, LEU67A, LEU67B, LYS119A, LYS119B, MET7A, MET7B, PHE101A, PHE101B, PHE103A, PHE116A, PHE116B, PHE80A, PHE80B, PHE82A, PHE82B, PRO39A, PRO39B, PRO4A, PRO4B, PRO97A, PRO97B, SER42A, SER42B, THR68A, THR68B, THR83A, THR83B, THR8A, THR8B, VAL40A, VAL40B, VAL71A, VAL71B, VAL74A, VAL74B, VAL94A, VAL94B, VAL95A, VAL95B