Structure of PDB 7tlq Chain A Binding Site BS01

Receptor Information
>7tlq Chain A (length=413) Species: 1382 (Lancefieldella parvula) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTDTEVAQITDNPYKADFPILAANPKVAYLDSAATSQRPRVVIEAQSRFY
ETMNANLYRWSVDATAAIEDARASIAKFIGAVDKNDKPESQQIIFTRNTS
EALNLVASSLGRYALKPGDDVVISIMEHHSNIIPWQQICKATGANLVYLR
MNSQYQITPEEIASKITERAKIVSVTHVSNVLGTRNDIKAIAKRTHAMGA
YMVVDAAQSAPHILVNVHDLDCDLLAFSAHKMCGPMGIGVLWGRAELLNA
MPPFLTGGEMIDSVTETGAVWAPVPEKFEAGTQDAAGIYATGAAIKYLNG
LDMAKIEKREELLARYLVQQLCTLDFVDIVGSKLGQNHVGAVAFNVRGVH
PHDVSSILDMNNVCIRAGHHSAEPLLIELHESSTCRASVAFYNDKHDIDQ
LIEGLNQVWKIFG
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 chain7tlq 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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PDB7tlq Structural analysis of Atopobium parvulum SufS cysteine desulfurase linked to Crohn's disease.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		N102 S104 H132 D209 A211 Q212 S232 H234 K235
Binding residue
(residue number reindexed from 1)		N98 S100 H128 D205 A207 Q208 S228 H230 K231
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:7tlq, PDBe:7tlq, PDBj:7tlq
PDBsum7tlq
PubMed35122247
UniProtC8W9P2

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