3OWU

crystal structure of ketosteroid isomerase d40n/c69s/c81s/c97s/f86c-cn from p. putida with bound equilenin

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 103
  • Norm. En. per Res.: -4.7204
• 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	-44.3267	-73.9981	-330.347	-448.6718	102	9	12	12812	3	14	6
A-C	0.0	-12.3215	-71.4791	-83.8006	70	3	1	3365	0	2	11
A-D	0.0	-8.776	-13.9502	-22.7262	24	0	0	673	0	4	4
B-C	0.0	-8.6869	-12.8576	-21.5445	24	0	0	611	0	3	4
B-D	0.0	11.8091	-22.9843	-11.1752	17	0	0	618	0	2	4
C-D	-65.8427	-73.9831	-346.38	-486.2059	103	12	13	13133	3	14	6

Interface residues

• A-B: ALA118A, ALA118B, ALA6A, ALA6B, ALA76A, ALA76B, ALA83A, ALA83B, ARG106A, ARG106B, ARG75A, ARG75B, ARG87A, ARG87B, ASN124A, ASN124B, ASN79A, ASN79B, ASP100A, ASP100B, ASP103A, ASP103B, GLN10A, GLN10B, GLN117A, GLN117B, GLN44A, GLN44B, GLN7A, GLN7B, GLU122A, GLU122B, GLU39A, GLU39B, GLU8A, GLU8B, GLY43A, GLY43B, GLY72A, GLY72B, GLY80A, GLY80B, GLY82A, GLY82B, HIS78A, HIS78B, ILE102A, ILE102B, LEU125A, LEU125B, LEU70A, LEU70B, LEU99A, LEU99B, MET105A, MET105B, MET13A, MET13B, MET84A, MET84B, PHE107A, PHE107B, PHE42A, PHE42B, PRO41A, PRO41B, PRO73A, PRO73B, PRO85A, PRO85B, SER121A, SER121B, SER126A, SER69A, SER69B, SER77A, SER77B, SER81A, SER81B, THR115A, THR115B, THR5A, THR5B, THR71A, THR71B, TRP120A, TRP120B, TRP92A, TYR119A, TYR119B, VAL101A, VAL101B, VAL104A, VAL104B, VAL123A, VAL123B, VAL74A, VAL74B, VAL88A, VAL88B, VAL9A, VAL9B
• A-C: ALA55A, ALA55C, ARG58A, ARG58C, ASN40A, ASN40C, ASN93A, ASN93C, GLN44A, GLN44C, GLN52A, GLN52C, GLN59A, GLN59C, GLU122A, GLU122C, GLU39A, GLU39C, GLU51A, GLU51C, GLY43A, GLY43C, GLY60A, GLY60C, GLY62A, GLY62C, GLY63A, GLY63C, GLY64A, GLY64C, GLY94A, GLY94C, HIS48A, HIS48C, ILE25A, ILE25C, ILE47A, ILE47C, LEU125A, LEU125C, LEU61A, LEU61C, LEU99A, LEU99C, MET90A, MET90C, PHE42A, PHE42C, PHE56A, PHE56C, PRO41A, PRO41C, PRO45A, PRO45C, PRO46A, PRO46C, SER121A, SER121C, TRP120A, TRP120C, TRP92A, TRP92C, TYR57A, TYR57C, VAL38A, VAL38C, VAL66A, VAL66C, VAL91A, VAL91C
• A-D: ALA6D, ARG106D, ASN2D, ASN79D, ASN93A, GLN44A, GLN95A, GLU109D, GLU122A, GLU129A, GLY80D, HIS78D, LEU125A, LEU3D, PRO41A, SER121A, SER126A, SER77D, SER81D, THR5D, TRP120A, TRP92A, VAL123A, VAL127A
• B-C: ALA6B, ARG106B, ASN2B, ASN79B, ASN93C, GLN44C, GLN95C, GLU109B, GLU122C, GLU129C, GLY80B, HIS78B, LEU125C, LEU3B, PRO41C, SER121C, SER126C, SER77B, SER81B, THR5B, TRP120C, TRP92C, VAL123C, VAL127C
• B-D: ALA6B, ALA6D, ASN2B, ASN2D, ASN79D, GLN7B, GLN7D, GLU8B, GLU8D, HIS78B, HIS78D, LEU3B, LEU3D, PRO4B, PRO4D, THR5B, THR5D
• C-D: ALA118C, ALA118D, ALA6C, ALA6D, ALA76C, ALA76D, ALA83C, ALA83D, ARG106C, ARG106D, ARG75C, ARG75D, ARG87C, ARG87D, ASN124C, ASN124D, ASN79C, ASN79D, ASP100C, ASP100D, ASP103C, ASP103D, GLN10C, GLN10D, GLN117C, GLN117D, GLN44C, GLN44D, GLN7C, GLN7D, GLU122C, GLU122D, GLU39C, GLU39D, GLU8C, GLU8D, GLY43C, GLY43D, GLY72C, GLY72D, GLY80C, GLY80D, GLY82C, GLY82D, HIS78C, HIS78D, ILE102C, ILE102D, LEU125C, LEU125D, LEU70C, LEU70D, LEU99C, LEU99D, MET105C, MET105D, MET13C, MET13D, MET84C, MET84D, PHE107C, PHE107D, PHE42C, PHE42D, PRO41C, PRO41D, PRO73C, PRO73D, PRO85C, PRO85D, SER121C, SER121D, SER126C, SER126D, SER69C, SER69D, SER77C, SER77D, SER81C, SER81D, THR115C, THR115D, THR5C, THR5D, THR71C, THR71D, TRP120C, TRP120D, TRP92C, TYR119C, TYR119D, VAL101C, VAL101D, VAL104C, VAL104D, VAL123C, VAL123D, VAL74C, VAL74D, VAL88C, VAL88D, VAL9C, VAL9D