Structure of PDB 7tlr Chain A Binding Site BS01

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 A 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)		N102 T103 S104 H132 D209 A211 Q212 S232 H234 K235
Binding residue
(residue number reindexed from 1)		N94 T95 S96 H124 D201 A203 Q204 S224 H226 K227
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

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

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