Structure of PDB 7tlr Chain A Binding Site BS02

Receptor Information
>7tlr Chain A (length=408) Species: 1382 (Lancefieldella parvula) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMTDTEVAQITDNPYKADFPILAANPKVAYLDSAYTSQRPRVVIEAQSRF
YETMNASVDATAAIEDARASIAKFIGAVDKNDKPESQQIIFTRNTSEALN
LVASSLGRYALKPGDDVVISIMEHHSNIIPWQQICKATGANLVYLRMNSQ
YQITPEEIASKITERAKIVSVTHVSNVLGTRNDIKAIAKRTHAMGAYMVV
DAAQSAPHILVNVHDLDCDLLAFSAHKMCGPMGIGVLWGRAELLNAMPPF
LTGGEMIDSVTETGAVWAPVPEKFEAGTQDAAGIYATGAAIKYLNGLDMA
KIEKREELLARYLVQQLCTLDFVDIVGSKLGQNHVGAVAFNVRGVHPHDV
SSILDMNNVCIRAGHHCAEPLLIELHESSTCRASVAFYNDKHDIDQLIEG
LNQVWKIF
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 chain7tlr Chain B Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7tlr Structural analysis of Atopobium parvulum SufS cysteine desulfurase linked to Crohn's disease.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		G285 T286
Binding residue
(residue number reindexed from 1)		G277 T278
Annotation score1
Enzymatic activity
Enzyme Commision number 2.8.1.7: cysteine desulfurase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0030170 pyridoxal phosphate binding
GO:0031071 cysteine desulfurase activity
Biological Process
GO:0006534 cysteine metabolic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:7tlr, PDBe:7tlr, PDBj:7tlr
PDBsum7tlr
PubMed35122247
UniProtC8W9P2

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