Structure of PDB 7poc Chain A Binding Site BS01

Receptor Information
>7poc Chain A (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 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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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)		G111 F112 H136 D208 A210 H211 T240 S242 K243
Binding residue
(residue number reindexed from 1)		G107 F108 H132 D204 A206 H207 T236 S238 K239
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

View graph for
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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