Structure of PDB 6nzu Chain E Binding Site BS01

Receptor Information
>6nzu Chain E (length=402) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LRPLYMDVQATTPLDPRVLDAMLPYLINYYGNPHSRTHAYGWESEAAMER
ARQQVASLIGADPREIIFTSGATESNNIAIKGVARFYRSRKKHLITTQTE
HKCVLDSCRSLEAEGFQVTYLPVQKSGIIDLKELEAAIQPDTSLVSVMTV
NNEIGVKQPIAEIGRICSSRKVYFHTDAAQAVGKIPLDVNDMKIDLMSIS
GHKIYGPKGVGAIYIRRRPRVRVEALQSGGGQERGMRSGTVPTPLVVGLG
AACEVAQQEMEYDHKRISKLSERLIQNIMKSLPDVVMNGDPKHHYPGCIN
LSFAYVEGESLLMALKDVALSSGSACTSASLEPSYVLRAIGTDEDLAHSS
IRFGIGRFTTEEEVDYTVEKCIQHVKRLREMSPLWEMVQDGIDLKSIKWT
QH
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 chain6nzu Chain E Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6nzu Structure of the human frataxin-bound iron-sulfur cluster assembly complex provides insight into its activation mechanism.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		A127 T128 D232 Q235 H257 K258
Binding residue
(residue number reindexed from 1)		A72 T73 D177 Q180 H202 K203
Annotation score1
Enzymatic activity
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:6nzu, PDBe:6nzu, PDBj:6nzu
PDBsum6nzu
PubMed31101807
UniProtQ9Y697|NFS1_HUMAN Cysteine desulfurase (Gene Name=NFS1)

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