3MYT

crystal structure of ketosteroid isomerase d38hd99n from pseudomonas testosteroni (tksi)

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 97
  • Norm. En. per Res.: -4.9531
• Hub Node: A(3)

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	0.0	11.476	-6.7769	4.6991	12	0	0	445	0	2	2
A-C	-54.6056	-81.833	-274.473	-410.9116	97	33	14	11898	8	24	29
A-D	0.0	-8.3254	-2.8724	-11.1978	5	0	0	175	1	3	2
B-D	-53.1976	-99.1556	-328.099	-480.4522	97	18	14	12342	9	23	31
C-D	0.0	0.0	-0.2092	-0.2092	3	0	0	62	0	2	2

Interface residues

• A-B: ALA9B, ARG13B, ASN2A, GLU5A, GLU5B, HIS6A, HIS6B, MET1A, PRO4A, PRO4B, THR3A, THR3B
• A-C: ALA114A, ALA114C, ALA73A, ALA73C, ALA75A, ALA75C, ALA78A, ALA78C, ALA79A, ALA79C, ALA81A, ALA81C, ALA96A, ALA96C, ARG102A, ARG102C, ARG113A, ARG113C, ARG72A, ARG72C, ASN120A, ASN120C, ASN76A, ASN76C, ASN99A, ASN99C, GLN12C, GLN69A, GLN69C, GLU118A, GLU118C, GLU37A, GLU37C, GLU5A, GLU5C, GLU66A, GLU66C, GLU70A, GLU70C, GLU77A, GLU77C, GLY117A, GLY117C, GLY41A, GLY41C, HIS100A, HIS100C, HIS122A, HIS122C, HIS38C, ILE121A, ILE121C, ILE98A, ILE98C, LEU115A, LEU115C, LEU67A, LEU67C, LYS119A, LYS119C, MET1A, MET1C, MET7A, MET7C, PHE101A, PHE101C, PHE116A, PHE116C, PHE80A, PHE80C, PHE82A, PHE82C, PRO39A, PRO39C, PRO4A, PRO4C, PRO97A, PRO97C, SER42A, SER42C, THR68A, THR68C, THR83A, THR83C, THR8A, THR8C, VAL40A, VAL40C, VAL71A, VAL71C, VAL74A, VAL74C, VAL84C, VAL94A, VAL94C, VAL95A, VAL95C
• A-D: GLU118D, GLU5A, LYS119D, PRO4A, THR3A
• B-D: ALA114B, ALA114D, ALA73B, ALA73D, ALA75B, ALA75D, ALA78B, ALA78D, ALA79B, ALA79D, ALA81B, ALA81D, ALA96B, ALA96D, ALA9D, ARG102B, ARG102D, ARG113B, ARG113D, ARG72B, ARG72D, ASN120B, ASN120D, ASN76B, ASN76D, ASN99B, ASN99D, GLN12D, GLN69B, GLN69D, GLU118B, GLU118D, GLU37B, GLU37D, GLU5B, GLU5D, GLU66B, GLU70B, GLU70D, GLU77B, GLU77D, GLY117B, GLY117D, GLY41B, GLY41D, HIS100B, HIS100D, HIS122D, HIS38B, HIS38D, HIS6D, ILE121B, ILE121D, ILE98B, ILE98D, LEU115B, LEU115D, LEU67B, LEU67D, LYS119B, LYS119D, MET1D, MET7B, MET7D, PHE101B, PHE101D, PHE103B, PHE116B, PHE116D, PHE80B, PHE80D, PHE82B, PHE82D, PRO39B, PRO39D, PRO4B, PRO4D, PRO97B, PRO97D, SER42B, SER42D, THR3D, THR68B, THR68D, THR83B, THR83D, THR8B, THR8D, VAL40B, VAL40D, VAL71B, VAL71D, VAL74B, VAL74D, VAL94D, VAL95B, VAL95D
• C-D: GLU118C, LYS119C, LYS119D