Structure of PDB 5wkp Chain E Binding Site BS01

Receptor Information
>5wkp Chain E (length=398) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSLRPLYMDVQATTPLDPRVLDAMLPYLINYYGNPHSRTHAYGWESEAAM
ERARQQVASLIGADPREIIFTSGATESNNIAIKGVARFYRSRKKHLITTQ
TEHKCVLDSCRSLEAEGFQVTYLPVQKSGIIDLKELEAAIQPDTSLVSVM
TVNNEIGVKQPIAEIGRICSSRKVYFHTDAAQAVGKIPLDVNDMKIDLMS
ISGHKIYGPKGVGAIYIRRRPRVRVEALQSGGGQERGMRSGTVPTPLVVG
LGAACEVAQQEMEYDHKRISKLSERLIQNIMKSLPDVVMNGDPKHHYPGC
INLSFAYVEGESLLMALKDVALSSGSSLEPSYVLRAIGTDEDLAHSSIRF
GIGRFTTEEEVDYTVEKCIQHVKRLREMSPLWEMVQDGIDLKSIKWTQ
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 chain5wkp 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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PDB5wkp Structure and functional dynamics of the mitochondrial Fe/S cluster synthesis complex.
Resolution3.15 Å
Binding residue
(original residue number in PDB)		G126 A127 T128 H156 D232 A234 S255 H257 K258
Binding residue
(residue number reindexed from 1)		G73 A74 T75 H103 D179 A181 S202 H204 K205
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H156 D232 A234 Q235 K258 S376
Catalytic site (residue number reindexed from 1) H103 D179 A181 Q182 K205 S323
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

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Molecular Function
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Biological Process
External links
PDB RCSB:5wkp, PDBe:5wkp, PDBj:5wkp
PDBsum5wkp
PubMed29097656
UniProtQ9Y697|NFS1_HUMAN Cysteine desulfurase (Gene Name=NFS1)

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