3FLK

crystal structure of tartrate dehydrogenase from pseudomonas putida in complex with nadh, oxalate and metal ion

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 222
  • Norm. En. per Res.: -4.8307
• 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	-216.4682	-75.8785	-766.885	-1059.2317	221	52	40	29701	9	73	58
A-C	-20.225	55.3107	-104.861	-69.7753	74	3	3	4882	0	18	22
A-D	0.0	15.5461	-18.0083	-2.4622	32	3	1	967	0	0	7
B-C	0.0	7.2404	-16.7318	-9.4915	32	3	2	972	0	0	7
B-D	-16.1786	45.6853	-100.186	-70.6793	73	3	2	4930	0	18	22
C-D	-213.5239	-77.6748	-781.221	-1072.4197	222	53	39	29652	10	73	61

Interface residues

• A-B: ALA119A, ALA119B, ALA121A, ALA121B, ALA197A, ALA197B, ALA229A, ALA229B, ALA258A, ALA258B, ALA260A, ALA260B, ALA288A, ALA288B, ARG108A, ARG108B, ARG123A, ARG123B, ARG134A, ARG134B, ARG165A, ARG165B, ARG166A, ARG166B, ARG170A, ARG206A, ARG206B, ARG230A, ARG230B, ARG98A, ARG98B, ARG99A, ARG99B, ASN122A, ASN122B, ASN151A, ASN151B, ASN154A, ASN154B, ASN194A, ASN194B, ASN246A, ASN246B, ASP169A, ASP169B, ASP204A, ASP204B, ASP225A, ASP225B, ASP250A, ASP250B, ASP254A, ASP254B, ASP290A, ASP290B, ASP343A, ASP343B, ASP86A, ASP86B, CYS118A, CYS118B, CYS228A, CYS228B, CYS259A, CYS259B, GLN159A, GLN159B, GLN234A, GLN234B, GLU138A, GLU138B, GLU140A, GLU140B, GLU150A, GLU150B, GLU153A, GLU153B, GLU155A, GLU155B, GLU160A, GLU160B, GLY139A, GLY139B, GLY145A, GLY145B, GLY146A, GLY146B, GLY167A, GLY167B, GLY195A, GLY195B, GLY249A, GLY249B, GLY256A, GLY256B, GLY261A, GLY261B, GLY264A, GLY264B, GLY286A, GLY286B, GLY79A, GLY79B, HIS223A, HIS223B, HIS285A, HIS285B, HIS87A, HIS87B, ILE128A, ILE147A, ILE147B, ILE156A, ILE156B, ILE158A, ILE158B, ILE162A, ILE162B, ILE198A, ILE198B, ILE224A, ILE224B, ILE226A, ILE226B, ILE251A, ILE251B, ILE263A, ILE263B, ILE291A, ILE291B, ILE88A, ILE88B, LEU120A, LEU120B, LEU144A, LEU144B, LEU227A, LEU227B, LEU233A, LEU233B, LEU247A, LEU247B, LEU252A, LEU252B, LEU255A, LEU255B, LEU90A, LEU90B, LEU94A, LEU94B, LEU95A, LEU95B, LYS192A, LYS192B, LYS205A, LYS205B, LYS221A, LYS221B, PHE149A, PHE149B, PHE163A, PHE163B, PHE231A, PHE231B, PHE248A, PHE248B, PRO117A, PRO117B, PRO201A, PRO201B, PRO235A, PRO235B, PRO257A, PRO257B, PRO289B, PRO81A, PRO81B, PRO85A, PRO85B, SER142A, SER142B, SER143A, SER143B, SER161A, SER161B, SER193A, SER193B, SER199A, SER199B, SER245A, SER253A, SER253B, SER287A, SER89A, SER89B, THR152A, THR152B, THR164A, THR164B, THR191A, THR191B, THR262A, THR262B, TRP203A, TRP203B, TRP91A, TRP91B, TYR141A, TYR141B, TYR202A, TYR202B, VAL157A, VAL157B, VAL168A, VAL168B, VAL232A, VAL232B, VAL284A, VAL284B, VAL78A, VAL78B
• A-C: ARG165A, ARG165C, ARG166A, ARG166C, ARG170A, ARG170C, ARG99A, ARG99C, ASN151A, ASN151C, ASN154A, ASN154C, ASP102A, ASP102C, GLN159A, GLN159C, GLU100A, GLU100C, GLU135A, GLU135C, GLU138A, GLU138C, GLU150A, GLU150C, GLU153A, GLU153C, GLU155A, GLU155C, GLU160A, GLU160C, GLY139A, GLY139C, GLY145A, GLY145C, GLY146A, GLY146C, GLY167A, GLY167C, ILE147A, ILE147C, ILE156A, ILE156C, ILE158A, ILE158C, ILE162A, ILE162C, LEU144A, LEU144C, LYS96C, PHE149A, PHE149C, PHE163A, PHE163C, PHE277A, PHE277C, SER142A, SER142C, SER143A, SER143C, SER161A, SER161C, THR137A, THR137C, THR152A, THR152C, THR164A, THR164C, TRP91A, TRP91C, TYR104A, TYR104C, VAL157A, VAL157C, VAL168A
• A-D: ARG166A, ARG166D, ASN154A, ASN154D, GLN159A, GLN159D, GLU153A, GLU153D, GLU155A, GLU155D, GLU160A, GLU160D, GLY145A, GLY145D, GLY146A, GLY146D, ILE156A, ILE156D, ILE158A, ILE158D, ILE162A, ILE162D, ILE198A, ILE198D, LEU144A, LEU144D, PHE149A, PHE149D, THR164A, THR164D, VAL157A, VAL157D
• B-C: ARG166B, ARG166C, ASN154B, ASN154C, GLN159B, GLN159C, GLU153B, GLU153C, GLU155B, GLU155C, GLU160B, GLU160C, GLY145B, GLY145C, GLY146B, GLY146C, ILE156B, ILE156C, ILE158B, ILE158C, ILE162B, ILE162C, ILE198B, ILE198C, LEU144B, LEU144C, PHE149B, PHE149C, THR164B, THR164C, VAL157B, VAL157C
• B-D: ARG165B, ARG165D, ARG166B, ARG166D, ARG170B, ARG170D, ARG99B, ARG99D, ASN151B, ASN151D, ASN154B, ASN154D, ASP102B, ASP102D, GLN159B, GLN159D, GLU100B, GLU100D, GLU135B, GLU135D, GLU138B, GLU138D, GLU150B, GLU150D, GLU153B, GLU153D, GLU155B, GLU155D, GLU160B, GLU160D, GLY139B, GLY139D, GLY145B, GLY145D, GLY146B, GLY146D, GLY167B, GLY167D, ILE147B, ILE147D, ILE156B, ILE156D, ILE158B, ILE158D, ILE162B, ILE162D, LEU144B, LEU144D, LYS96D, PHE149B, PHE149D, PHE163B, PHE163D, PHE277B, PHE277D, SER142B, SER142D, SER143B, SER143D, SER161B, SER161D, THR137B, THR137D, THR152B, THR152D, THR164B, THR164D, TRP91B, TRP91D, TYR104B, TYR104D, VAL157B, VAL157D
• C-D: ALA119C, ALA119D, ALA121C, ALA121D, ALA197C, ALA197D, ALA229C, ALA229D, ALA258C, ALA258D, ALA260C, ALA260D, ALA288C, ALA288D, ARG108C, ARG108D, ARG123C, ARG123D, ARG134C, ARG134D, ARG165C, ARG165D, ARG166C, ARG166D, ARG206C, ARG206D, ARG230C, ARG230D, ARG237C, ARG98C, ARG98D, ARG99C, ARG99D, ASN122C, ASN122D, ASN151C, ASN151D, ASN154C, ASN154D, ASN194C, ASN194D, ASN246C, ASN246D, ASP169C, ASP169D, ASP204C, ASP204D, ASP225C, ASP225D, ASP250C, ASP250D, ASP254C, ASP254D, ASP290C, ASP290D, ASP343C, ASP343D, ASP82C, ASP86C, ASP86D, CYS118C, CYS118D, CYS228C, CYS228D, CYS259C, CYS259D, GLN159C, GLN159D, GLN234C, GLN234D, GLU138C, GLU138D, GLU140C, GLU140D, GLU150C, GLU150D, GLU153C, GLU153D, GLU155C, GLU155D, GLU160C, GLU160D, GLY139C, GLY139D, GLY145C, GLY145D, GLY146C, GLY146D, GLY167C, GLY167D, GLY195C, GLY195D, GLY249C, GLY249D, GLY256C, GLY256D, GLY261C, GLY261D, GLY264C, GLY264D, GLY286C, GLY286D, GLY79C, GLY79D, HIS223C, HIS223D, HIS285C, HIS285D, HIS87C, HIS87D, ILE128C, ILE128D, ILE147C, ILE147D, ILE156C, ILE156D, ILE158C, ILE158D, ILE162C, ILE162D, ILE198C, ILE198D, ILE224C, ILE224D, ILE226C, ILE226D, ILE251C, ILE251D, ILE263C, ILE263D, ILE291D, ILE88C, ILE88D, LEU120C, LEU120D, LEU144C, LEU144D, LEU227C, LEU227D, LEU233C, LEU233D, LEU247C, LEU247D, LEU252C, LEU252D, LEU255C, LEU255D, LEU90C, LEU90D, LEU94C, LEU94D, LEU95C, LEU95D, LYS192C, LYS192D, LYS205C, LYS205D, LYS221C, LYS221D, PHE149C, PHE149D, PHE163C, PHE163D, PHE231C, PHE231D, PHE248C, PHE248D, PRO117C, PRO117D, PRO201C, PRO201D, PRO235C, PRO235D, PRO257C, PRO257D, PRO289C, PRO289D, PRO81C, PRO81D, PRO85C, PRO85D, SER142C, SER142D, SER143C, SER143D, SER161C, SER161D, SER193C, SER193D, SER199C, SER199D, SER245C, SER253C, SER253D, SER89C, SER89D, THR152C, THR152D, THR164C, THR164D, THR191C, THR191D, THR262C, THR262D, TRP203C, TRP203D, TRP91C, TRP91D, TYR141C, TYR141D, TYR202C, TYR202D, VAL157C, VAL157D, VAL168C, VAL168D, VAL232C, VAL232D, VAL284C, VAL284D, VAL78C, VAL78D