2HE5

crystal structure of 17alpha-hydroxysteroid dehydrogenase in binary complex with nadp(h) in an open conformation

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 138
  • Norm. En. per Res.: -2.0322
• Hub Node: B(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-C	-22.8091	7.7879	-265.427	-280.4481	138	26	5	12570	0	28	28
B-C	0.0	7.2338	-57.9268	-50.693	55	14	0	2925	0	23	22
B-D	-34.7925	11.7196	-242.789	-265.862	135	23	5	12687	0	27	28
C-D	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	2	0

Interface residues

• A-C: ALA24A, ALA24C, ALA308A, ALA308C, ALA309A, ALA309C, ALA52A, ALA52C, ARG223A, ARG276C, ARG301A, ARG301C, ARG304C, ASN128A, ASN128C, ASN167A, ASN167C, ASN231A, ASN231C, ASN300A, ASN300C, ASN302A, ASN302C, ASN56A, ASN56C, ASP132A, ASP132C, ASP229A, ASP229C, ASP237A, ASP237C, CYS29A, CYS87A, CYS87C, GLN222A, GLN230A, GLN230C, GLU127A, GLU127C, GLU133A, GLU133C, GLU238C, GLU28A, GLU28C, GLY135A, GLY135C, GLY217A, GLY220A, GLY225A, GLY226A, GLY226C, GLY298A, GLY298C, HIS117A, HIS117C, HIS134A, HIS134C, ILE138A, ILE306A, ILE306C, ILE310A, ILE310C, LEU122A, LEU122C, LEU137A, LEU137C, LEU235C, LEU25A, LEU25C, LEU272A, LEU272C, LEU27A, LEU27C, LEU299A, LEU299C, LYS136A, LYS136C, LYS273A, LYS273C, LYS312A, LYS312C, LYS31A, LYS31C, MET120A, MET120C, MET303A, MET303C, PHE129A, PHE129C, PHE311A, PHE311C, PHE319A, PHE319C, PRO130A, PRO130C, PRO233A, PRO233C, PRO239C, PRO26A, PRO26C, PRO307A, PRO307C, PRO30A, PRO30C, SER232A, SER232C, SER53A, SER53C, THR221A, THR221C, THR23A, THR23C, THR57A, THR57C, TRP227A, TRP227C, TRP86A, TRP86C, TYR118A, TYR118C, TYR196A, TYR196C, TYR216A, TYR216C, TYR224A, TYR305A, TYR305C, TYR55A, TYR55C, VAL131A, VAL131C, VAL228A, VAL228C, VAL234A, VAL234C, VAL240C, VAL54A, VAL54C
• B-C: ALA121B, ARG141B, ARG171B, ARG171C, ASN169B, ASN169C, ASN178C, ASN316B, ASP132B, ASP140B, ASP143B, ASP204C, ASP321B, ASP321C, CYS145C, CYS206C, GLN172B, GLN172C, GLN199C, GLU174C, GLU322B, GLU322C, GLY181C, GLY313B, HIS134B, HIS314B, HIS91B, ILE138B, LEU122B, LEU137B, LEU173C, LEU177C, LEU182C, LEU202C, LEU203C, LEU320B, LEU320C, LYS136B, LYS179C, LYS201C, LYS209C, MET120B, MET175B, MET175C, MET200C, PHE139B, PHE205C, PHE311B, PRO180C, PRO315B, SER208C, TRP317B, TYR170C, TYR323C, VAL142B
• B-D: ALA24B, ALA24D, ALA308B, ALA308D, ALA309B, ALA309D, ALA52B, ALA52D, ARG223B, ARG301B, ARG301D, ARG304D, ASN128B, ASN128D, ASN167B, ASN167D, ASN231B, ASN231D, ASN300B, ASN300D, ASN302B, ASN302D, ASN56B, ASN56D, ASP132B, ASP132D, ASP229B, ASP229D, ASP237B, ASP237D, CYS29B, CYS87B, CYS87D, GLN222B, GLN230B, GLN230D, GLU127B, GLU127D, GLU133B, GLU133D, GLU238B, GLU238D, GLU28B, GLU28D, GLY135B, GLY135D, GLY217B, GLY220B, GLY220D, GLY225B, GLY226B, GLY226D, GLY298B, GLY298D, HIS117B, HIS117D, HIS134B, HIS134D, ILE138B, ILE138D, ILE306B, ILE306D, ILE310B, ILE310D, LEU137B, LEU137D, LEU25B, LEU25D, LEU272D, LEU27B, LEU27D, LEU299B, LEU299D, LYS136B, LYS136D, LYS273B, LYS273D, LYS312B, LYS312D, LYS31B, LYS31D, MET120B, MET120D, MET303B, MET303D, PHE129B, PHE129D, PHE311B, PHE311D, PHE319B, PHE319D, PRO130B, PRO130D, PRO233B, PRO233D, PRO239D, PRO26B, PRO26D, PRO307B, PRO307D, SER232B, SER232D, SER53B, SER53D, THR221B, THR221D, THR23B, THR23D, THR57B, THR57D, TRP227B, TRP227D, TRP86B, TRP86D, TYR118B, TYR118D, TYR196B, TYR196D, TYR216B, TYR216D, TYR224B, TYR305B, TYR305D, TYR55B, TYR55D, VAL131B, VAL131D, VAL228B, VAL228D, VAL234B, VAL234D, VAL240B, VAL240D, VAL54B, VAL54D
• C-D: ARG141C, LEU320D