Structure of PDB 2cf5 Chain A Binding Site BS01

Receptor Information
>2cf5 Chain A (length=352) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AERKTTGWAARDPSGILSPYTYTLRETGPEDVNIRIICCGICHTDLHQTK
NDLGMSNYPMVPGHEVVGEVVEVGSDVSKFTVGDIVGVGCLVGCCGGCSP
CERDLEQYCPKKIWSYNDVYINGQPTQGGFAKATVVHQKFVVKIPEGMAV
EQAAPLLCAGVTVYSPLSHFGLKQPGLRGGILGLGGVGHMGVKIAKAMGH
HVTVISSSNKKREEALQDLGADDYVIGSDQAKMSELADSLDYVIDTVPVH
HALEPYLSLLKLDGKLILMGVINNPLQFLTPLLMLGRKVITGSFIGSMKE
TEEMLEFCKEKGLSSIIEVVKMDYVNTAFERLEKNDVRYRFVVDVEGSNL
DA
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2cf5 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2cf5 Crystal Structures and Catalytic Mechanisms of the Arabidopsis Cinnamyl Alcohol Dehydrogenases Atcad5 and Atcad4
Resolution2.0 Å
Binding residue
(original residue number in PDB)		C100 C103 C106 C114
Binding residue
(residue number reindexed from 1)		C95 C98 C101 C109
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C47 H48 T49 H52 H69 E70 C100 C103 C106 C114 I118 C163 T167 R345
Catalytic site (residue number reindexed from 1) C42 H43 T44 H47 H64 E65 C95 C98 C101 C109 I113 C158 T162 R340
Enzyme Commision number 1.1.1.195: cinnamyl-alcohol dehydrogenase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0045551 cinnamyl-alcohol dehydrogenase activity
GO:0046872 metal ion binding
GO:0050268 coniferyl-alcohol dehydrogenase activity
Biological Process
GO:0009699 phenylpropanoid biosynthetic process
GO:0009809 lignin biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2cf5, PDBe:2cf5, PDBj:2cf5
PDBsum2cf5
PubMed16633561
UniProtO49482|CADH5_ARATH Cinnamyl alcohol dehydrogenase 5 (Gene Name=CAD5)

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