3RKR

crystal structure of a metagenomic short-chain oxidoreductase (sdr) in complex with nadp

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 118
  • Norm. En. per Res.: -4.2141
• 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	0.0	6.3864	-85.9106	-79.5242	62	5	6	4293	0	4	12
A-C	0.0	0.0	-10.8528	-10.8528	18	0	0	623	0	2	5
A-D	-125.3508	-36.447	-335.462	-497.2597	118	34	12	14432	2	28	31
B-C	-76.8086	-3.8581	-513.052	-593.7187	148	27	18	19765	4	26	27

Interface residues

• A-B: ALA125A, ALA125B, ALA127A, ALA127B, ALA129A, ALA129B, ALA132A, ALA132B, ALA133A, ALA133B, ALA69A, ALA69B, ALA71A, ALA71B, ALA72A, ALA72B, ALA74A, ALA74B, ALA79A, ALA79B, ALA80A, ALA80B, ARG124A, ARG124B, ARG83A, ARG83B, ASP68A, ASP68B, GLY76A, GLY76B, GLY82A, GLY82B, HIS66A, HIS66B, HIS81A, HIS81B, ILE131A, ILE131B, ILE70A, ILE70B, LEU121A, LEU121B, LEU122A, LEU122B, LEU123A, LEU123B, LEU78A, LEU78B, PHE126A, PHE126B, PHE73A, PHE73B, PRO128A, PRO128B, SER67A, SER67B, THR75A, THR75B, TYR120A, TYR120B, VAL77A, VAL77B
• A-C: ALA72A, ALA79A, ALA80A, GLU58A, GLY76A, GLY82A, HIS101C, HIS60A, HIS81A, LEU100C, LEU78A, LYS104C, MET103C, PRO105C, PRO99C, SER59A, THR102C, THR75A
• A-D: ALA170A, ALA170D, ALA171A, ALA171D, ALA185A, ALA185D, ALA206A, ALA206D, ALA217A, ALA223A, ALA223D, ARG135A, ARG135D, ARG175A, ARG175D, ARG180A, ARG180D, ARG190D, ARG234A, ARG234D, ASN164D, ASP210A, ASP210D, ASP211A, ASP211D, ASP214A, ASP214D, ASP224A, ASP224D, GLN176A, GLN176D, GLN178A, GLN178D, GLN222A, GLN222D, GLN225A, GLN225D, GLU172A, GLU172D, GLU173A, GLU173D, GLU208A, GLU208D, GLU230A, GLU230D, GLY136A, GLY136D, GLY187A, GLY187D, HIS137A, HIS137D, HIS177A, HIS177D, ILE207A, ILE207D, ILE212A, ILE212D, ILE228A, ILE228D, LEU174A, LEU174D, LEU183A, LEU183D, LEU218A, LEU218D, LEU219A, LEU219D, LEU232A, LEU232D, LEU237A, LEU237D, LYS134A, LYS134D, LYS147A, LYS147D, LYS238A, LYS238D, LYS25D, MET167A, MET167D, PHE227A, PHE227D, PRO186A, PRO186D, PRO209D, PRO235A, PRO235D, SER169A, SER169D, SER182A, SER182D, SER188A, SER188D, SER226A, SER226D, SER229A, SER229D, THR168A, THR168D, THR221A, THR221D, THR236A, THR236D, VAL179A, VAL179D, VAL181A, VAL181D, VAL184A, VAL184D, VAL189A, VAL189D, VAL215A, VAL215D, VAL216D, VAL231A, VAL231D, VAL233A, VAL233D
• B-C: ALA106B, ALA106C, ALA110B, ALA113B, ALA113C, ALA118B, ALA118C, ALA125B, ALA125C, ALA127B, ALA127C, ALA145B, ALA145C, ALA151B, ALA151C, ALA154B, ALA154C, ALA155B, ALA155C, ALA158B, ALA158C, ALA170B, ALA170C, ALA171B, ALA171C, ALA71B, ALA71C, ARG124B, ARG124C, ARG175B, ARG175C, ASN115B, ASN115C, ASN148B, ASN148C, ASN164B, ASN164C, ASN89B, ASN89C, ASP109B, ASP109C, ASP152B, ASP152C, ASP68B, GLN176B, GLN176C, GLU107B, GLU107C, GLU172B, GLU172C, GLU173B, GLU173C, GLU230B, GLU230C, GLY146B, GLY146C, GLY153B, GLY153C, GLY162B, GLY162C, GLY165B, GLY165C, GLY98B, GLY98C, HIS101B, HIS101C, HIS177B, HIS177C, ILE112B, ILE112C, ILE131B, ILE131C, ILE138B, ILE138C, LEU100B, LEU100C, LEU111B, LEU111C, LEU116B, LEU116C, LEU121B, LEU121C, LEU122B, LEU122C, LEU123B, LEU123C, LEU144B, LEU144C, LEU163B, LEU163C, LEU166B, LEU166C, LEU174B, LEU174C, LEU183B, LEU183C, LYS104B, LYS104C, LYS117B, LYS117C, LYS147B, LYS147C, LYS160B, LYS160C, MET103B, MET103C, MET167B, MET167C, PHE126B, PHE126C, PRO105B, PRO105C, PRO119B, PRO119C, PRO128B, PRO128C, PRO149B, PRO149C, PRO99B, PRO99C, SER159B, SER159C, SER169B, SER169C, SER229B, SER229C, SER67B, SER67C, THR102B, THR102C, THR157B, THR157C, THR168B, THR168C, TRP108B, TRP108C, TRP161B, TRP161C, TRP95B, TRP95C, TYR120B, TYR120C, TYR156B, TYR156C, VAL150B, VAL150C, VAL181B, VAL181C