Structure of PDB 5tnx Chain A Binding Site BS01

Receptor Information
>5tnx Chain A (length=370) Species: 398577 (Burkholderia ambifaria MC40-6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DTRAVTAAVARAAGAPFSIEPARIRAPRGDEVLVRVVATGLCHTDLIVRD
QYYPVPLPAVLGHEGAGVVEAVGPNVKTLAAGDHVVLTYGACGHCASCAG
GHGAYCRQFFALNFGGADADGQTALRDAAGEPLHDHFFAQSSFASYALAR
ENNAIKVPKEAPLELLGPLGCGIQTGAGAVINSLAVRTGSSFASFGAGAV
GMSAVMAARIAGATTIIAVDIVPSRLALALELGATHAINSKEVDVVDAIR
EITGGGVDYALESTGLPAVLSQGIDALGSRGTMGVVGAPKLGTKAEFDVN
SLLLGGHTIRGIVEGDSVPQTFIPQLVQLHLQGRFPFDRLVKFYPLEQIN
QAAADSSSGITLKPILRLPH
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 chain5tnx Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5tnx Crystal structure of Alcohol dehydrogenase zinc-binding domain protein from Burkholderia ambifaria
Resolution1.7 Å
Binding residue
(original residue number in PDB)		C97 C100 C103 C111
Binding residue
(residue number reindexed from 1)		C92 C95 C98 C106
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C47 H48 T49 I52 H68 E69 C97 C100 C103 C111 F115 C176 T180 K368
Catalytic site (residue number reindexed from 1) C42 H43 T44 I47 H63 E64 C92 C95 C98 C106 F110 C171 T175 K363
Enzyme Commision number ?
Gene Ontology
Molecular Function
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:0046294 formaldehyde catabolic 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:5tnx, PDBe:5tnx, PDBj:5tnx
PDBsum5tnx
PubMed
UniProtB1Z4S6

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