3OX9

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

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 100
  • Norm. En. per Res.: -4.4191
• 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	-45.4274	-64.1716	-332.307	-441.906	100	7	13	12789	2	15	6
A-C	0.0	42.088	-16.4752	25.6128	20	3	0	1070	0	6	5
B-C	0.0	-8.7161	-28.3897	-37.1058	27	1	0	1580	0	1	4
B-D	0.0	-10.1799	7.7679	-2.412	28	13	0	1568	0	4	3
C-D	-36.7763	-60.9	-321.318	-418.9944	100	10	12	12608	2	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, GLU8A, GLU8B, GLY11B, 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, SER69A, SER69B, SER77A, SER77B, SER81A, SER81B, THR5A, THR5B, THR71A, THR71B, TRP120A, TRP120B, TRP92A, TRP92B, TYR119A, TYR119B, VAL101A, VAL101B, VAL104A, VAL104B, VAL123A, VAL123B, VAL74A, VAL74B, VAL88A, VAL88B, VAL9A, VAL9B
• A-C: ALA55C, ALA6A, ARG50C, ASN2A, ASP34C, GLN52C, GLN7A, GLU51C, GLU8A, GLY49C, HIS48C, HIS78A, ILE47C, ILE53C, LEU3A, PHE56C, PRO46C, PRO4A, THR5A, VAL9A
• B-C: ASN124B, ASN93B, GLN117C, GLN44C, GLN52C, GLN95B, GLU122B, GLU122C, GLU129B, GLU39C, GLY43C, GLY94B, HIS48C, ILE47C, LEU125B, PHE42C, PRO41C, PRO45C, PRO46C, SER121B, SER126B, SER97B, THR37C, TRP92B, TYR119C, VAL123B, VAL127B
• B-D: ALA6D, ARG106D, ARG128B, ASN2D, ASN79D, ASN93B, ASP108D, GLN114D, GLN95B, GLU109D, GLU129B, GLY80D, GLY94B, HIS110D, HIS78D, LEU3D, LYS65B, PHE107D, PRO130B, PRO4D, PRO96B, SER77D, SER81D, SER97B, THR5D, TRP92B, VAL127B, VAL91B
• 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, GLU39D, GLU8C, GLU8D, GLY11C, 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, SER69C, SER69D, SER77C, SER77D, SER81C, SER81D, THR5C, THR5D, THR71C, THR71D, TRP120C, TRP120D, TRP92C, TRP92D, TYR119C, TYR119D, VAL101C, VAL101D, VAL104C, VAL104D, VAL123C, VAL123D, VAL74C, VAL74D, VAL88C, VAL88D, VAL9C, VAL9D