Structure of PDB 6w1d Chain A Binding Site BS01

Receptor Information
>6w1d Chain A (length=395) 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
NLSFAYVEGESLLMALKDVALSSGSACPSYVLRAIGTDEDLAHSSIRFGI
GRFTTEEEVDYTVEKCIQHVKRLREMSPLWEMVQDGIDLKSIKWT
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 chain6w1d Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6w1d The essential function of ISCU2 and its conserved N-terminus in Fe/S cluster biogenesis
Resolution1.795 Å
Binding residue
(original residue number in PDB)		G126 A127 T128 H156 D232 A234 Q235 S255 H257 K258 C381
Binding residue
(residue number reindexed from 1)		G72 A73 T74 H102 D178 A180 Q181 S201 H203 K204 C327
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H156 D232 A234 Q235 K258 S376 C381
Catalytic site (residue number reindexed from 1) H102 D178 A180 Q181 K204 S322 C327
Enzyme Commision number 2.8.1.7: cysteine desulfurase.
Gene Ontology
Molecular Function
GO:0030170 pyridoxal phosphate binding
GO:0031071 cysteine desulfurase activity
Biological Process
GO:0044571 [2Fe-2S] cluster assembly

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:6w1d, PDBe:6w1d, PDBj:6w1d
PDBsum6w1d
PubMed
UniProtQ9Y697|NFS1_HUMAN Cysteine desulfurase (Gene Name=NFS1)

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