Structure of PDB 5wt2 Chain A Binding Site BS01

Receptor Information
>5wt2 Chain A (length=355) Species: 85962 (Helicobacter pylori 26695) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VQRIYLDNNATTRIDPKVKEIMDPFLRDHYGNPSSLHQFGTETHPAIAEA
LDKLYKGINARDIDDVIITSCATESNNWVLKGVYFDECLKKGKNHIVTTV
AEHPAVRSTCNFLESLGVEVTYLPINEHGSITAEQVREAITEKTALVSVM
WANNETGLIFPIEEIGAICKEKGVLFHTDAVQAIGKIPVDVLKANADFLS
FSAHKFHGPKGIGGLYIRSGVGLTPLFHGGEHMNGRRSGTLNVPYIVGMG
EAMKLAVEHLDYEKEVVGKLRDKLEEALLKIPDVMVVGDRIHRVPNTTLV
SVRGIEGEAMLWDLNRSNIAASTGSATAIRLSLSRFNTEAEIDKTIEVFS
QAAVR
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 chain5wt2 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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PDB5wt2 Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes.
Resolution2.301 Å
Binding residue
(original residue number in PDB)		C72 A73 T74 H104 D180 V182 Q183 S203 H205 K206
Binding residue
(residue number reindexed from 1)		C71 A72 T73 H103 D179 V181 Q182 S202 H204 K205
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
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0006534 cysteine metabolic process
GO:0016226 iron-sulfur cluster assembly
GO:0044571 [2Fe-2S] cluster assembly
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5wt2, PDBe:5wt2, PDBj:5wt2
PDBsum5wt2
PubMed31587510
UniProtO25008|ISCS_HELPY Cysteine desulfurase IscS (Gene Name=iscS)

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