2HSD

the refined three-dimensional structure of 3alpha,20beta- hydroxysteroid dehydrogenase and possible roles of the residues conserved in short-chain dehydrogenases

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 155
  • Norm. En. per Res.: -4.2233
• 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	-25.7734	0.0	-207.756	-233.5294	67	23	9	8355	0	0	1
A-C	-89.2419	-28.749	-503.627	-621.618	154	26	24	21282	6	24	36
A-D	-40.6788	3.6737	-470.187	-507.1921	170	29	11	18990	1	32	22
B-C	-53.2177	29.581	-420.253	-443.8897	167	20	12	17671	0	30	21
B-D	-86.056	-58.995	-509.562	-654.6131	155	29	22	21298	8	27	37
C-D	-17.0019	0.0	-186.162	-203.1639	67	14	9	7530	0	0	1

Interface residues

• A-B: ALA140A, ALA140B, ALA141A, ALA141B, ALA147A, ALA147B, ASN204A, ASN204B, GLN255A, GLN255B, GLY145A, GLY145B, GLY242A, GLY242B, GLY246A, GLY246B, GLY254A, GLY254B, GLY93A, ILE195A, ILE195B, LEU143A, LEU143B, LEU146A, LEU146B, LEU148A, LEU148B, LYS250A, LYS250B, MET144A, MET144B, MET184A, MET184B, MET253A, MET253B, MET94A, PHE95A, PHE95B, PRO203A, PRO203B, PRO206A, PRO206B, PRO247A, PRO247B, THR149A, THR149B, THR193B, THR205A, THR205B, THR244A, THR244B, THR245A, THR245B, THR248A, THR248B, TRP157A, TRP157B, TRP243A, TRP243B, TYR202A, TYR202B, TYR251A, TYR251B, VAL249A, VAL249B, VAL252A, VAL252B
• A-C: ALA141A, ALA141C, ALA147A, ALA147C, ALA154A, ALA154C, ALA166A, ALA166C, ALA167A, ALA167C, ARG103A, ARG103C, ARG105A, ARG105C, ARG160A, ARG160C, ASN111A, ASN136A, ASN136C, ASP173A, ASP60C, GLU102A, GLU102C, GLU109A, GLU109C, GLU169A, GLU169C, GLU236A, GLU236C, GLU64A, GLU64C, GLU65A, GLU65C, GLU97A, GLU97C, GLU99A, GLU99C, GLY114A, GLY114C, GLY118A, GLY118C, GLY142A, GLY142C, GLY145A, GLY145C, GLY153A, GLY153C, GLY158A, GLY158C, GLY161A, GLY161C, GLY234A, GLY234C, HIS181A, HIS181C, ILE110A, ILE110C, ILE117A, ILE117C, ILE123A, ILE123C, ILE134A, ILE134C, ILE175A, ILE175C, ILE63A, ILE63C, LEU112A, LEU112C, LEU143A, LEU143C, LEU146A, LEU146C, LEU148A, LEU148C, LEU162A, LEU162C, LEU165A, LEU165C, LEU170A, LEU170C, LEU96A, LEU96C, LYS106A, LYS106C, LYS120A, LYS120C, LYS127A, LYS127C, LYS156A, LYS156C, LYS164A, LYS164C, MET119A, MET119C, MET144A, MET144C, MET94A, MET94C, PHE104A, PHE104C, PHE116A, PHE116C, PHE95A, PHE95C, PRO124A, PRO124C, SER100A, SER100C, SER150A, SER150C, SER151A, SER151C, SER155A, SER155C, SER163A, SER163C, THR113A, THR113C, THR121A, THR121C, THR149A, THR149C, THR172C, THR62A, THR62C, THR92A, THR92C, THR98A, THR98C, TRP157A, TRP157C, TRP67A, TRP67C, TYR152A, TYR152C, TYR251A, TYR251C, VAL101A, VAL101C, VAL108A, VAL108C, VAL115A, VAL115C, VAL122A, VAL122C, VAL159A, VAL159C, VAL168A, VAL168C, VAL177A, VAL177C, VAL61A, VAL61C
• A-D: ALA140A, ALA140D, ALA166A, ALA166D, ALA167A, ALA167D, ALA218A, ALA218D, ALA220A, ALA220D, ALA235A, ALA235D, ALA238A, ALA238D, ALA26D, ALA28A, ALA28D, ALA29A, ALA29D, ARG160A, ARG160D, ARG174A, ARG174D, ARG176A, ARG176D, ARG209A, ARG209D, ASN178A, ASN178D, ASN2A, ASN2D, ASP173A, ASP173D, ASP227A, ASP227D, ASP240A, ASP240D, ASP3A, ASP3D, GLN25A, GLN25D, GLU169A, GLU169D, GLU199A, GLU199D, GLU213A, GLU213D, GLU216A, GLU216D, GLU236A, GLU236D, GLY132D, GLY161A, GLY161D, GLY171A, GLY171D, GLY183A, GLY183D, GLY200A, GLY200D, GLY208A, GLY208D, GLY211A, GLY211D, GLY215A, GLY215D, GLY219A, GLY219D, GLY234A, GLY234D, GLY241A, GLY241D, GLY242A, GLY242D, GLY246A, GLY246D, GLY30D, HIS181A, HIS181D, ILE175A, ILE175D, ILE217A, ILE217D, LEU143A, LEU143D, LEU165A, LEU165D, LEU170A, LEU170D, LEU224A, LEU224D, LEU225A, LEU237A, LEU237D, LEU4A, LEU4D, LYS164A, LYS164D, LYS223A, LYS223D, LYS250A, LYS250D, MET184A, MET184D, MET207A, MET207D, MET253D, PRO182A, PRO182D, PRO203A, PRO203D, PRO206A, PRO206D, PRO247A, PRO247D, SER163A, SER163D, SER226A, SER226D, SER229A, SER229D, SER230A, SER230D, SER5A, SER5D, THR172A, THR172D, THR185A, THR185D, THR205A, THR205D, THR228A, THR228D, THR233A, THR233D, THR244A, THR244D, THR245A, THR245D, THR248A, THR248D, TRP243A, TRP243D, TYR186A, TYR186D, TYR202A, TYR202D, TYR231A, TYR231D, TYR251D, VAL168A, VAL168D, VAL177A, VAL177D, VAL180A, VAL180D, VAL210A, VAL210D, VAL221A, VAL221D, VAL222A, VAL222D, VAL232A, VAL232D, VAL239A, VAL239D, VAL249A, VAL249D, VAL252A, VAL252D
• B-C: ALA140B, ALA166B, ALA166C, ALA167B, ALA167C, ALA218B, ALA218C, ALA220B, ALA220C, ALA235B, ALA235C, ALA238B, ALA238C, ALA28B, ALA28C, ALA29B, ALA29C, ARG160B, ARG160C, ARG174B, ARG174C, ARG176B, ARG176C, ARG209B, ARG209C, ASN178B, ASN178C, ASN2B, ASN2C, ASP173B, ASP173C, ASP227B, ASP227C, ASP240B, ASP240C, ASP3B, ASP3C, GLN25B, GLN25C, GLU169B, GLU169C, GLU199B, GLU199C, GLU213B, GLU213C, GLU216B, GLU216C, GLU236B, GLU236C, GLY132B, GLY161B, GLY161C, GLY171B, GLY171C, GLY183B, GLY183C, GLY200B, GLY200C, GLY208B, GLY208C, GLY211B, GLY211C, GLY215B, GLY215C, GLY219B, GLY219C, GLY234B, GLY234C, GLY241B, GLY241C, GLY242B, GLY242C, GLY246B, GLY246C, HIS181B, HIS181C, ILE175B, ILE175C, ILE217B, ILE217C, LEU143B, LEU143C, LEU165B, LEU165C, LEU170B, LEU170C, LEU224B, LEU224C, LEU237B, LEU237C, LEU4B, LEU4C, LYS164B, LYS164C, LYS223B, LYS223C, LYS250B, LYS250C, MET184B, MET184C, MET207B, MET207C, MET253C, PRO182B, PRO182C, PRO203B, PRO203C, PRO206B, PRO206C, PRO247B, PRO247C, SER163B, SER163C, SER179B, SER179C, SER226B, SER226C, SER229B, SER229C, SER230B, SER230C, SER5B, SER5C, THR172B, THR172C, THR185B, THR185C, THR205B, THR205C, THR228B, THR228C, THR233B, THR233C, THR244B, THR244C, THR245B, THR245C, THR248B, THR248C, TRP243B, TRP243C, TYR186B, TYR186C, TYR202B, TYR202C, TYR231B, TYR231C, VAL168B, VAL168C, VAL177B, VAL177C, VAL180B, VAL180C, VAL210B, VAL210C, VAL221B, VAL221C, VAL222B, VAL222C, VAL232B, VAL232C, VAL239B, VAL239C, VAL249B, VAL249C, VAL252B, VAL252C
• B-D: ALA141B, ALA141D, ALA147B, ALA147D, ALA154B, ALA154D, ALA166B, ALA166D, ALA167B, ALA167D, ARG103B, ARG103D, ARG105B, ARG105D, ARG160B, ARG160D, ASN136B, ASN136D, ASP173B, ASP173D, GLN68B, GLN68D, GLU102B, GLU102D, GLU109B, GLU109D, GLU169B, GLU169D, GLU236B, GLU236D, GLU64B, GLU64D, GLU65B, GLU65D, GLU97B, GLU97D, GLU99B, GLU99D, GLY114B, GLY114D, GLY118B, GLY118D, GLY142B, GLY142D, GLY145B, GLY145D, GLY153B, GLY153D, GLY158B, GLY158D, GLY161B, GLY161D, GLY171D, GLY234B, GLY234D, HIS181B, HIS181D, ILE110B, ILE110D, ILE117B, ILE117D, ILE123B, ILE123D, ILE134B, ILE134D, ILE175B, ILE175D, ILE63B, ILE63D, LEU112B, LEU112D, LEU143B, LEU143D, LEU146B, LEU146D, LEU148B, LEU148D, LEU162B, LEU162D, LEU165B, LEU165D, LEU170B, LEU170D, LEU96B, LEU96D, LYS106D, LYS120B, LYS120D, LYS127B, LYS127D, LYS156B, LYS156D, LYS164B, LYS164D, MET119B, MET119D, MET144B, MET144D, MET94B, MET94D, PHE104B, PHE104D, PHE116B, PHE116D, PHE95B, PHE95D, PRO124B, PRO124D, SER100B, SER100D, SER150B, SER150D, SER151B, SER151D, SER155B, SER155D, SER163B, SER163D, THR113B, THR113D, THR121B, THR121D, THR149B, THR149D, THR172B, THR62B, THR62D, THR92B, THR92D, THR98B, THR98D, TRP157B, TRP157D, TRP67B, TRP67D, TYR152B, TYR152D, TYR251B, TYR251D, VAL101B, VAL101D, VAL108B, VAL108D, VAL115B, VAL115D, VAL122B, VAL122D, VAL159B, VAL159D, VAL168B, VAL168D, VAL177B, VAL177D, VAL61B, VAL61D
• C-D: ALA140C, ALA140D, ALA141C, ALA141D, ALA147C, ALA147D, ASN204C, ASN204D, GLN255C, GLN255D, GLY145C, GLY145D, GLY242C, GLY242D, GLY246C, GLY246D, GLY254C, GLY254D, GLY93D, ILE195C, ILE195D, LEU143C, LEU143D, LEU146C, LEU146D, LEU148C, LEU148D, LYS250C, LYS250D, MET144C, MET144D, MET184C, MET184D, MET253C, MET253D, MET94D, PHE95C, PHE95D, PRO203C, PRO203D, PRO206C, PRO206D, PRO247C, PRO247D, THR149C, THR149D, THR193D, THR205C, THR205D, THR244C, THR244D, THR245C, THR245D, THR248C, THR248D, TRP157C, TRP157D, TRP243C, TRP243D, TYR202C, TYR202D, TYR251C, TYR251D, VAL249C, VAL249D, VAL252C, VAL252D