Structure of PDB 4p53 Chain A Binding Site BS01

Receptor Information
>4p53 Chain A (length=360) Species: 1133850 (Streptomyces hygroscopicus subsp. jinggangensis 5008) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WRVSALKEVSYDVVVQPRLLANPALADALSARRLIVIDATVRSLYGEQLA
AYLAGHDVEFHLCVIDAHESAKVMETVFEVVDAMDAFGVPRRHAPVLAMG
GGVLTDIVGLAASLYRRATPYVRIPTTLIGMIDAGIGAKTGVNFREHKNR
LGTYHPSSLTLIDPGFLATLDARHLRNGLAEILKVALVKDAELFDLLEGH
GASLVEQRMQPGAALTVLRRAVQGMLEELQPNLWEHQLRRLVDFGHSFSP
SVEMAALPELLHGEAVCIDMALSSVLAHHRGLLTEAELGRVLDVMRLLHL
PVLHPVCTPDLMRAALADTVKHRDGWQHMPLPRGIGDAVFVNDVTQREIE
AALLTLAERD
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 chain4p53 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4p53 Structure of a sedoheptulose 7-phosphate cyclase: ValA from Streptomyces hygroscopicus.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		E213 H284 H300
Binding residue
(residue number reindexed from 1)		E181 H246 H262
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R149 K171 E213 M263 E273 R277 D281 H284 P288 H300
Catalytic site (residue number reindexed from 1) R117 K139 E181 M225 E235 R239 D243 H246 P250 H262
Enzyme Commision number 4.2.3.152: 2-epi-5-epi-valiolone synthase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003856 3-dehydroquinate synthase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0017000 antibiotic biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4p53, PDBe:4p53, PDBj:4p53
PDBsum4p53
PubMed24832673
UniProtH2K887|VALA_STRHJ 2-epi-5-epi-valiolone synthase (Gene Name=valA)

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