Structure of PDB 7poc Chain D Binding Site BS02

Receptor Information
>7poc Chain D (length=393) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLDLRARVREELERLKREGLYISPKVLEAPQEPVTRVEGREVVNLASNNY
LGFANHPYLKEKARQYLEKWGAGSGAVRTIAGTFTYHVELEEALARFKGT
ESALVLQSGFTANQGVLGALLKEGDVVFSDELNHASIIDGLRLTKATRLV
FRHADVAHLEELLKAHDTDGLKLIVTDGVFSMDGDIAPLDKIVPLAKKYK
AVVYVDDAHGSGVLGEKGKGTVHHFGFHQDPDVVQVATLSKAWAGIGGYA
AGARELKDLLINKARPFLFSTSHPPAVVGALLGALELIEKEPERVERLWE
NTRYFKRELARLGYDTLGSQTPITPVLFGEAPLAFEASRLLLEEGVFAVG
IGFPTVPRGKARIRNIVTAAHTKEMLDKALEAYEKVGKRLGII
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 D 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)		S110 G111 F112 H136 S183 D208 A210 H211 T240 K243
Binding residue
(residue number reindexed from 1)		S108 G109 F110 H134 S181 D206 A208 H209 T238 K241
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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