Structure of PDB 3c7c Chain B Binding Site BS02

Receptor Information
>3c7c Chain B (length=403) Species: 6579 (Pecten maximus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVKVCVCGGGNGAHTLSGLAASRDGVEVRVLTLFADEAERWTKALGADEL
TVIVNEKDGTQTEVKSRPKVITKDPEIAISGADVVILTVPAFAHEGYFQA
MAPYVQDSALIVGLPSQAGFEFQCRDILGDKAAAVSMMSFETLPWACRIK
EFGRKVEVLGTKSVLAASLIKGTAKTVDPLSTLQMLHGAEPVFRLAKHFL
EMLIMSYSFVHPAILFGRWGSWDGKPVPEAPLFYQGIDQATADMLTACSN
ECKDVANAIMAACPGNDLSDVKDIYQWYLEYYHEDIQDDHDLYHAITTNK
SYKGLVHPVKAVDGGVAPDFGNRYLTEDIPMGMIVFKGVAIAAGVAIPSN
DKLIMWAQEKIGKEYLVDGALTGKDVATTRCPQRYGFNTLDAILTGKKHH
HHH
Ligand information
Ligand IDARG
InChIInChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
InChIKeyODKSFYDXXFIFQN-BYPYZUCNSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[C@@H](CCCNC(N)=[NH2+])C(O)=O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[CH](CCCNC(N)=[NH2+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCN\C(=[NH2+])N
FormulaC6 H15 N4 O2
NameARGININE
ChEMBL
DrugBank
ZINC
PDB chain3c7c Chain B Residue 406 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3c7c A structural basis for substrate selectivity and stereoselectivity in octopine dehydrogenase from Pecten maximus.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		M206 H212
Binding residue
(residue number reindexed from 1)		M205 H211
Annotation score5
Enzymatic activity
Enzyme Commision number 1.5.1.11: D-octopine dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0047830 D-octopine dehydrogenase activity

View graph for
Molecular Function
External links
PDB RCSB:3c7c, PDBe:3c7c, PDBj:3c7c
PDBsum3c7c
PubMed18599075
UniProtQ9BHM6|OCDH_PECMA Octopine dehydrogenase (Gene Name=odh1)

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