Structure of PDB 4dla Chain A Binding Site BS01

Receptor Information
>4dla Chain A (length=379) Species: 4081 (Solanum lycopersicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SATQGQVITCKAAVAWEPNKPLVIEDVQVAPPQAGEVRVKVLYTALCHTD
AYTWSGKDPEGLFPCVLGHEAAGIVESVGEGVTEVQPGDHVIPCYQAECR
ECKFCKSGKTNLCGKVRAATGVGVMMNDRKSRFSINGKPIYHFMGTSTFS
QYTVVHDVSVAKIDPVAPLEKVCLLGCGVPTGLGAVWNTAKVEPGSIVAV
FGLGTVGLAVAEGAKAAGASRIIGIDIDSKKFDRAKNFGVTEFINPKEHE
QPIQQVIVDLTDGGVDYSFECIGNVSVMRSALECCHKGWGTSVIVGVAAS
GQEISTRPFQLVTGRVWKGTAFGGFKSRSQVPSLVDKYLKKEIKVDEYIT
HNMTLADINKAFDLMHDGDCLRVVLDMFV
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 chain4dla 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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PDB4dla Structural and functional characterization of a plant S-nitrosoglutathione reductase from Solanum lycopersicum.
Resolution2.14 Å
Binding residue
(original residue number in PDB)		C47 H69 C177
Binding residue
(residue number reindexed from 1)		C47 H69 C177
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C47 H48 T49 Y52 H69 E70 C99 C102 C105 C113 R117 C177 T181 R372
Catalytic site (residue number reindexed from 1) C47 H48 T49 Y52 H69 E70 C99 C102 C105 C113 R117 C177 T181 R372
Enzyme Commision number 1.1.1.284: S-(hydroxymethyl)glutathione dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004022 alcohol dehydrogenase (NAD+) activity
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051903 S-(hydroxymethyl)glutathione dehydrogenase [NAD(P)+] activity
Biological Process
GO:0044281 small molecule metabolic process
GO:0046294 formaldehyde catabolic process
Cellular Component
GO:0005737 cytoplasm
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:4dla, PDBe:4dla, PDBj:4dla
PDBsum4dla
PubMed23274177
UniProtD2Y3F4

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