3H7A

crystal structure of short-chain dehydrogenase from rhodopseudomonas palustris

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 153
  • Norm. En. per Res.: -4.3778
• 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	-74.5868	-37.4931	-557.726	-669.8059	153	19	18	19348	4	32	34
A-C	0.0	0.0	-0.0422	-0.0422	2	0	0	23	0	3	1
A-D	-21.666	7.4432	-249.655	-263.8778	86	13	8	9547	0	16	14
B-C	-13.6334	6.5851	-236.95	-243.9982	82	4	8	9292	0	18	13
B-D	0.0	0.0	-0.0498	-0.0498	2	0	0	27	0	3	2
C-D	-58.5228	-42.4787	-546.397	-647.3985	150	13	18	19154	3	33	34

Interface residues

• A-B: ALA115A, ALA115B, ALA124A, ALA124B, ALA129A, ALA129B, ALA142A, ALA142B, ALA151A, ALA151B, ALA152A, ALA152B, ALA154A, ALA154B, ALA156A, ALA156B, ALA162A, ALA162B, ALA164A, ALA164B, ALA168A, ALA168B, ARG103A, ARG103B, ARG106A, ARG106B, ARG121A, ARG121B, ARG125A, ARG125B, ARG145A, ARG145B, ARG161A, ARG161B, ARG169A, ARG169B, ARG64B, ASN65B, ASN94A, ASN94B, ASP102A, ASP102B, ASP67A, ASP67B, CYS113A, CYS113B, GLN165A, GLN165B, GLU110A, GLU110B, GLU122A, GLU122B, GLU170A, GLU170B, GLU235A, GLU235B, GLU66A, GLU66B, GLU99A, GLU99B, GLY116A, GLY116B, GLY120A, GLY120B, GLY146A, GLY146B, GLY147A, GLY147B, GLY149A, GLY149B, GLY159A, GLY159B, HIS180A, HIS180B, ILE135A, ILE135B, ILE176A, ILE176B, ILE97A, ILE97B, LEU126A, LEU126B, LEU128A, LEU128B, LEU144A, LEU144B, LEU160A, LEU160B, LEU171A, LEU171B, LEU98A, LEU98B, LYS107A, LYS107B, LYS157A, LYS157B, LYS174A, LYS174B, MET127A, MET127B, MET167A, MET167B, MET172B, PHE105A, PHE105B, PHE117A, PHE117B, PHE137A, PHE137B, PHE150A, PHE150B, PHE153A, PHE153B, PHE158A, PHE158B, PHE234A, PHE234B, PHE95A, PHE95B, PRO173A, PRO173B, PRO96A, PRO96B, SER123A, SER123B, SER143A, SER143B, SER148A, SER148B, SER155A, SER155B, SER166A, SER166B, THR100A, THR100B, THR101A, THR101B, THR70A, THR70B, TRP109A, TRP109B, TRP114A, TRP114B, VAL104A, VAL104B, VAL108A, VAL108B, VAL118A, VAL118B, VAL163A, VAL163B, VAL178A, VAL178B
• A-C: ARG145A, ARG145C
• A-D: ALA168A, ALA168D, ALA215A, ALA215D, ALA216A, ALA216D, ALA218A, ALA218D, ALA220A, ALA220D, ALA231A, ALA231D, ARG145A, ARG145D, ARG169A, ARG169D, ARG239A, ARG239D, ASN175A, ASN175D, ASP184A, ASP184D, GLN223A, GLN223D, GLN226A, GLN226D, GLN227A, GLN227D, GLU235A, GLU235D, GLU237A, GLU237D, GLY219A, GLY219D, HIS177A, HIS177D, ILE176A, ILE176D, ILE182A, ILE182D, ILE183A, ILE183D, ILE238A, ILE238D, LEU171A, LEU171D, LEU181A, LEU181D, LEU224A, LEU224D, LYS174A, LYS174D, LYS229A, LYS229D, MET172A, MET172D, MET212A, MET212D, MET236A, MET236D, PHE234A, PHE234D, PRO173A, PRO173D, PRO213A, PRO213D, PRO214A, PRO214D, PRO228A, PRO228D, PRO240A, PRO240D, SER230A, SER230D, THR233A, THR233D, TRP222A, TRP222D, TRP232A, TRP232D, TYR221D, TYR225A, TYR241A, TYR241D, VAL217A, VAL217D
• B-C: ALA168B, ALA168C, ALA215B, ALA215C, ALA216B, ALA216C, ALA218B, ALA218C, ALA220B, ALA220C, ALA231B, ALA231C, ARG145B, ARG145C, ARG169B, ARG169C, ARG239B, ARG239C, ASN175B, ASN175C, ASP184B, ASP184C, GLN223B, GLN223C, GLN226B, GLN226C, GLN227B, GLN227C, GLU235B, GLU235C, GLU237B, GLU237C, GLY219B, GLY219C, HIS177B, HIS177C, ILE176B, ILE176C, ILE183B, ILE183C, ILE238B, ILE238C, LEU171B, LEU171C, LEU181B, LEU181C, LEU224B, LEU224C, LYS174B, LYS174C, LYS229B, LYS229C, MET172B, MET172C, MET212B, MET212C, MET236B, MET236C, PHE234B, PHE234C, PRO173B, PRO173C, PRO213B, PRO213C, PRO214B, PRO214C, PRO228B, PRO228C, PRO240B, PRO240C, SER230B, SER230C, THR233B, THR233C, TRP222C, TRP232B, TRP232C, TYR221B, TYR241B, TYR241C, VAL217B, VAL217C
• B-D: ARG145B, ARG145D
• C-D: ALA115C, ALA115D, ALA124C, ALA124D, ALA129C, ALA129D, ALA142C, ALA142D, ALA151C, ALA151D, ALA152C, ALA152D, ALA154C, ALA154D, ALA156C, ALA156D, ALA162C, ALA162D, ALA164C, ALA164D, ALA168C, ALA168D, ARG103C, ARG103D, ARG106C, ARG106D, ARG121C, ARG121D, ARG125C, ARG125D, ARG145C, ARG145D, ARG161C, ARG161D, ARG169C, ARG169D, ASN94C, ASN94D, ASP102C, ASP102D, ASP67C, ASP67D, CYS113C, CYS113D, GLN165C, GLN165D, GLU110C, GLU110D, GLU122C, GLU122D, GLU170C, GLU170D, GLU235C, GLU235D, GLU66C, GLU66D, GLU99C, GLU99D, GLY116C, GLY116D, GLY120C, GLY120D, GLY146C, GLY146D, GLY147C, GLY147D, GLY149C, GLY149D, GLY159C, GLY159D, HIS180C, HIS180D, ILE135C, ILE135D, ILE176C, ILE176D, ILE97C, ILE97D, LEU126C, LEU126D, LEU128C, LEU128D, LEU144C, LEU144D, LEU160C, LEU160D, LEU171C, LEU171D, LEU98C, LEU98D, LYS107C, LYS107D, LYS157C, LYS157D, LYS174C, LYS174D, MET127C, MET127D, MET167C, MET167D, PHE105C, PHE105D, PHE117C, PHE117D, PHE137C, PHE137D, PHE150C, PHE150D, PHE153C, PHE153D, PHE158C, PHE158D, PHE234C, PHE234D, PHE95C, PHE95D, PRO173C, PRO173D, PRO96C, PRO96D, SER123C, SER123D, SER143C, SER143D, SER148C, SER148D, SER155C, SER155D, SER166C, SER166D, THR100C, THR100D, THR101C, THR101D, THR70C, THR70D, TRP109C, TRP109D, TRP114C, TRP114D, VAL104C, VAL104D, VAL108C, VAL108D, VAL118C, VAL118D, VAL163C, VAL163D, VAL178C, VAL178D