Structure of PDB 8tvt Chain A Binding Site BS01

Receptor Information
>8tvt Chain A (length=400) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLRPLYMDVQATTPLDPRVLDAMLPYLINYYGNPHSRTHAYGWESEAAME
RARQQVASLIGADPREIIFTSGATESNNIAIKGVARFYRSRKKHLITTQT
EHKCVLDSCRSLEAEGFQVTYLPVQKSGIIDLKELEAAIQPDTSLVSVMT
VNNEIGVKQPIAEIGRICSSRKVYFHTDAAQAVGKIPLDVNDMKIDLMSI
SGHKIYGPKGVGAIYIRRRPRVRVEALQSGGGQERGMRSGTVPTPLVVGL
GAACEVAQQEMEYDHKRISKLSERLIQNIMKSLPDVVMNGDPKHHYPGCI
NLSFAYVEGESLLMALKDVALSSGSACTSASLEPSYVLRAIGTDEDLAHS
SIRFGIGRFTTEEEVDYTVEKCIQHVKRLREMSPLWEMVQDGIDLKSIKW
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 chain8tvt Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8tvt D-Cysteine impairs tumor growth by inhibiting cysteine desulfurase NFS1
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G126 A127 T128 H156 D232 Q235 S255 H257 K258
Binding residue
(residue number reindexed from 1)		G72 A73 T74 H102 D178 Q181 S201 H203 K204
Annotation score1
External links
PDB RCSB:8tvt, PDBe:8tvt, PDBj:8tvt
PDBsum8tvt
PubMed
UniProtQ9Y697|NFS1_HUMAN Cysteine desulfurase (Gene Name=NFS1)

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