1OHP

crystal structure of 5-3-ketosteroid isomerase mutant d38n from pseudomonas testosteroni complexed with 5alpha-estran-3,17-dione

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 93
  • Norm. En. per Res.: -5.2311
• 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	-45.4303	-109.9688	-347.986	-503.3851	100	13	15	12962	12	29	32
A-D	-17.9507	-16.5364	-21.9	-56.3871	33	1	0	1165	2	15	13
B-D	0.0	-7.5085	-105.161	-112.6695	65	7	0	4700	0	17	19
C-D	-48.565	-111.5564	-326.372	-486.4934	93	13	14	12582	11	30	34

Interface residues

• A-B: ALA114A, ALA209B, ALA273B, ALA275B, ALA278B, ALA279B, ALA281B, ALA296B, ALA314B, ALA73A, ALA75A, ALA78A, ALA79A, ALA81A, ALA96A, ARG102A, ARG113A, ARG272B, ARG302B, ARG313B, ARG72A, ASN120A, ASN238B, ASN276B, ASN320B, ASN38A, ASN76A, ASP299B, ASP99A, GLN12A, GLN212B, GLN269B, GLN69A, GLU118A, GLU205B, GLU237B, GLU270B, GLU277B, GLU318B, GLU37A, GLU5A, GLU66A, GLU70A, GLU77A, GLY117A, GLY241B, GLY317B, GLY41A, HIS100A, HIS122A, HIS300B, HIS322B, ILE121A, ILE283B, ILE298B, ILE321B, ILE83A, ILE98A, LEU115A, LEU267B, LEU315B, LEU67A, LYS119A, LYS319B, MET207B, MET7A, PHE101A, PHE103A, PHE116A, PHE280B, PHE282B, PHE301B, PHE303B, PHE316B, PHE80A, PHE82A, PRO204B, PRO239B, PRO297B, PRO39A, PRO4A, PRO97A, SER242B, SER42A, THR203B, THR208B, THR268B, THR68A, THR8A, VAL211B, VAL240B, VAL271B, VAL274B, VAL294B, VAL295B, VAL40A, VAL71A, VAL74A, VAL94A, VAL95A
• A-D: ALA228D, ALA231D, ALA249D, ALA306D, ALA34A, ALA75A, ARG102A, ARG113A, ARG252D, ARG45A, ASN104A, ASP224D, ASP232D, ASP233D, ASP33A, GLU37A, GLU43A, GLU77A, GLY247D, GLY41A, GLY47A, LEU223D, LYS308D, PHE230D, PRO44A, SER111A, SER42A, SER46A, THR248D, THR35A, VAL110A, VAL227D, VAL40A
• B-D: ALA209D, ALA216D, ALA217D, ALA220D, ALA228D, ALA231B, ALA234B, ALA249B, ALA250B, ALA275B, ALA306B, ALA306D, ARG213D, ARG245B, ARG302B, ARG313B, ASN202D, ASN276B, ASN304B, ASN304D, ASP222D, ASP224D, ASP232B, ASP233B, GLN212D, GLU205D, GLU237B, GLU243B, GLU277B, GLY225D, GLY241B, GLY247B, GLY305B, GLY305D, GLY307D, HIS206D, HIS300B, ILE226D, ILE251B, LEU223D, LEU229D, LYS308D, MET201D, MET207D, MET312B, PHE230B, PHE303B, PHE303D, PRO204D, PRO244B, SER242B, SER246B, SER311B, THR203D, THR208D, THR235B, THR248B, TYR214D, VAL210D, VAL211D, VAL227D, VAL236B, VAL240B, VAL309B, VAL310B
• C-D: ALA114C, ALA273D, ALA275D, ALA278D, ALA279D, ALA281D, ALA296D, ALA314D, ALA73C, ALA75C, ALA78C, ALA79C, ALA81C, ALA96C, ARG102C, ARG113C, ARG272D, ARG302D, ARG313D, ARG72C, ASN120C, ASN238D, ASN276D, ASN320D, ASN38C, ASN76C, ASP299D, ASP99C, GLN269D, GLN69C, GLU118C, GLU205D, GLU237D, GLU270D, GLU277D, GLU318D, GLU37C, GLU5C, GLU70C, GLU77C, GLY117C, GLY241D, GLY317D, GLY41C, HIS100C, HIS122C, HIS300D, HIS322D, ILE121C, ILE283D, ILE298D, ILE321D, ILE83C, ILE98C, LEU115C, LEU267D, LEU315D, LEU67C, LYS119C, LYS319D, MET207D, MET7C, PHE101C, PHE103C, PHE116C, PHE280D, PHE282D, PHE301D, PHE316D, PHE80C, PHE82C, PRO204D, PRO239D, PRO297D, PRO39C, PRO4C, PRO97C, SER242D, SER42C, THR208D, THR268D, THR68C, THR8C, VAL240D, VAL271D, VAL274D, VAL294D, VAL295D, VAL40C, VAL71C, VAL74C, VAL94C, VAL95C