Structure of PDB 7poc Chain C Binding Site BS01

Receptor Information
>7poc Chain C (length=392) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLRARVREELERLKREGLYISPKVLEAPQEPVTRVEGREVVNLASNNYLG
FANHPYLKEKARQYLEKWGAGSGAVRTIAGTFTYHVELEEALARFKGTES
ALVLQSGFTANQGVLGALLKEGDVVFSDELNHASIIDGLRLTKATRLVFR
HADVAHLEELLKAHDTDGLKLIVTDGVFSMDGDIAPLDKIVPLAKKYKAV
VYVDDAHGSGVLGEKGKGTVHHFGFHQDPDVVQVATLSKAWAGIGGYAAG
ARELKDLLINKARPFLFSTSHPPAVVGALLGALELIEKEPERVERLWENT
RYFKRELARLGYDTLGSQTPITPVLFGEAPLAFEASRLLLEEGVFAVGIG
FPTVPRGKARIRNIVTAAHTKEMLDKALEAYEKVGKRLGIIR
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain7poc Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7poc An Irreversible, Promiscuous and Highly Thermostable Claisen-Condensation Biocatalyst Drives the Synthesis of Substituted Pyrroles
Resolution2.6 Å
Binding residue
(original residue number in PDB)		S272 T273
Binding residue
(residue number reindexed from 1)		S268 T269
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.29: glycine C-acetyltransferase.
2.3.1.47: 8-amino-7-oxononanoate synthase.
Gene Ontology
Molecular Function
GO:0008710 8-amino-7-oxononanoate synthase activity
GO:0008890 glycine C-acetyltransferase activity
GO:0016740 transferase activity
GO:0016746 acyltransferase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009058 biosynthetic process
GO:0009102 biotin biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7poc, PDBe:7poc, PDBj:7poc
PDBsum7poc
PubMed37266354
UniProtQ5SHZ8|BIKB_THET8 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase (Gene Name=TTHA1582)

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