Structure of PDB 8odq Chain D Binding Site BS01

Receptor Information
>8odq Chain D (length=410) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDLAAIRADFPILKRIMRGGNPLAYLDSGATSQRPLQVLDAEREFLTASN
GAVHRGAHQLMEEATDAYEQGRADIALFVGADTDELVFTKNATEALNLVS
YVLGDSRFERAVGPGDVIVTTELEHHANLIPWQELARRTGATLRWYGVTD
DGRIDLDSLYLDDRVKVVAFTHHSNVTGVLTPVSELVSRAHQSGALTVLD
ACQSVPHQPVDLHELGVDFAAFSGHKMLGPNGIGVLYGRRELLAQMPPFL
TGGSMIETVTMEGATYAPAPQRFEAGTPMTSQVVGLAAAARYLGAIGMAA
VEAHERELVAAAIEGLSGIDGVRILGPTSMRDRGSPVAFVVEGVHAHDVG
QVLDDGGVAVRVGHHCALPLHRRFGLAATARASFAVYNTADEVDRLVAGV
RRSRHFFGRA
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 chain8odq Chain D Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8odq Structural and Biochemical Characterization of Mycobacterium tuberculosis Zinc SufU-SufS Complex.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		N98 A99 T100 H132 N182 D207 C209 Q210 S230 H232 K233
Binding residue
(residue number reindexed from 1)		N91 A92 T93 H125 N175 D200 C202 Q203 S223 H225 K226
Annotation score1
Enzymatic activity
Enzyme Commision number 2.8.1.7: cysteine desulfurase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016740 transferase activity
GO:0030170 pyridoxal phosphate binding
GO:0031071 cysteine desulfurase activity
Biological Process
GO:0006534 cysteine metabolic process
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8odq, PDBe:8odq, PDBj:8odq
PDBsum8odq
PubMed37238602
UniProtP9WQ69|CSD_MYCTU Probable cysteine desulfurase (Gene Name=csd)

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