Structure of PDB 5yln Chain A Binding Site BS01

Receptor Information
>5yln Chain A (length=348) Species: 373153 (Streptococcus pneumoniae D39) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMGSMKAYTYVKPGLASFVDVDKPVIRKPTAIVRIVKTTICGTDLHIIKG
DVPTCQSGTILGHEGIGIVEEVGEGVSNFKKGDKVLISCVCACGKCYYCK
KGIYAHCEDEGGWIFIDGMQAEYLRVPHADNTLYHTPEDLSDEALVMLLP
TGYEIGVLKGKVEPGCSVAIIGSGPVGLAALLTAQFYSPAKLIMVDLDDN
RLETALSFGATHKVNSSDPEKAIKEIYDLTDGRGVDVAIEAVGIPATFDF
CQKIIGVDGTVANCGVHGKPVEFDLDKLWIRNINVTTGLVSTNTTPQLLK
ALESHKIEPEKLVTHYFKLSEIEKAYEVFSKAADHHAKVIIENDISEA
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 chain5yln 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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PDB5yln Zinc dependent alcohol dehydrogenase 2 from Streptococcus pneumonia - apo form
Resolution2.189 Å
Binding residue
(original residue number in PDB)		C38 H60
Binding residue
(residue number reindexed from 1)		C41 H63
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C38 T40 H43 H60
Catalytic site (residue number reindexed from 1) C41 T43 H46 H63
Enzyme Commision number 1.1.1.1: alcohol dehydrogenase.
Gene Ontology
Molecular Function
GO:0004022 alcohol dehydrogenase (NAD+) activity
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5yln, PDBe:5yln, PDBj:5yln
PDBsum5yln
PubMed
UniProtA0A0H2ZRI0

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