3HX8

crystal structure of putative ketosteroid isomerase (np_103587.1) from mesorhizobium loti at 1.45 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 93
  • Norm. En. per Res.: -4.527
• 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	-57.4667	-31.8657	-331.676	-421.0084	93	10	11	12956	5	27	23
A-C	-2.829	0.3527	-39.3892	-41.8655	30	1	0	1778	1	20	12
A-D	0.0	0.0	-0.0007	-0.0007	2	0	0	2	0	1	1
B-C	0.0	0.0	-0.4808	-0.4808	10	0	0	156	0	5	5
B-D	-31.2035	-7.9617	-49.095	-88.2602	38	3	0	2252	3	17	13
C-D	-51.6438	-40.313	-336.47	-428.4268	95	16	11	13128	5	27	23

Interface residues

• A-B: ALA101A, ALA101B, ALA122A, ALA122B, ALA149A, ALA57A, ALA57B, ALA58A, ALA58B, ALA64A, ALA64B, ARG130A, ARG130B, ARG141A, ARG141B, ARG65A, ARG65B, ASN145A, ASN145B, ASP142A, ASP142B, ASP147A, ASP147B, ASP55A, ASP55B, ASP62A, ASP62B, ASP67A, ASP93A, ASP93B, ASP99A, ASP99B, GLN95A, GLN95B, GLU103A, GLU103B, GLU96A, GLU96B, GLY105A, GLY105B, GLY123A, GLY123B, GLY98A, GLY98B, ILE143A, ILE143B, LEU92A, LEU92B, LYS124A, LYS124B, LYS150B, PHE100A, PHE100B, PHE102A, PHE102B, PHE107A, PHE107B, PHE59A, PHE59B, PRO148A, PRO148B, PRO60A, PRO60B, PRO61A, PRO61B, SER104A, SER104B, SER106A, SER106B, SER146A, SER146B, SER97A, SER97B, THR90B, THR91B, TRP129A, TRP129B, TRP137B, TRP144A, TRP144B, TYR125A, TYR125B, TYR140A, TYR140B, VAL126A, VAL126B, VAL127A, VAL127B, VAL128A, VAL128B, VAL66A, VAL66B, VAL94B
• A-C: ALA49C, ALA56A, ALA56C, ALA64A, ARG130C, ARG65A, ARG65C, ARG69A, ARG69C, ASN71A, ASN71C, ASP54A, ASP54C, ASP55A, ASP55C, ASP67A, ASP67C, GLN70A, GLN70C, GLN73A, GLN73C, GLY68A, GLY68C, ILE72A, ILE72C, LYS74A, LYS74C, SER50C, TYR140C, VAL66A
• A-D: ALA64A, GLN95D
• B-C: ALA149B, ARG130C, ARG141C, ARG65C, ASP93B, LEU92B, LYS150B, PHE100C, PRO148B, TYR140C
• B-D: ALA101D, ALA122B, ALA149B, ALA25D, ASP120B, ASP93B, ASP93D, GLN23D, GLN95D, GLU27D, GLU30B, GLU30D, GLU86B, GLU96D, GLY0D, LEU109B, LEU118B, LEU92B, LEU92D, LYS110B, LYS117B, LYS150B, LYS26B, LYS26D, LYS88B, LYS88D, PHE102D, SER106B, SER106D, SER108B, SER24D, SER97D, THR90B, THR90D, THR91B, THR91D, VAL119B, VAL94D
• C-D: ALA101C, ALA101D, ALA122C, ALA122D, ALA149C, ALA149D, ALA57C, ALA57D, ALA58C, ALA58D, ALA64C, ALA64D, ARG130C, ARG130D, ARG141C, ARG141D, ARG65C, ARG65D, ASN145C, ASN145D, ASP142C, ASP142D, ASP147C, ASP147D, ASP55C, ASP55D, ASP62C, ASP62D, ASP67D, ASP93C, ASP93D, ASP99C, ASP99D, GLN95C, GLN95D, GLU103C, GLU103D, GLU96C, GLU96D, GLY105C, GLY105D, GLY123C, GLY123D, GLY98C, GLY98D, ILE143C, ILE143D, LEU92C, LEU92D, LYS124C, LYS124D, LYS150C, PHE100C, PHE100D, PHE102C, PHE102D, PHE107C, PHE107D, PHE59C, PHE59D, PRO148C, PRO148D, PRO60C, PRO60D, PRO61C, PRO61D, SER104C, SER104D, SER106C, SER106D, SER146C, SER146D, SER97C, SER97D, THR90C, THR91C, TRP129C, TRP129D, TRP137C, TRP144C, TRP144D, TYR125C, TYR125D, TYR140C, TYR140D, VAL126C, VAL126D, VAL127C, VAL127D, VAL128C, VAL128D, VAL66C, VAL66D, VAL94C, VAL94D