Structure of PDB 4eb7 Chain B Binding Site BS01

Receptor Information
>4eb7 Chain B (length=377) Species: 224325 (Archaeoglobus fulgidus DSM 4304) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AYFDYTSAKPVDERILEAMLPYMTESFGNPSSVHSYGFKAREAVQEAREK
VAKLVNGGGGTVVFTSGATEANNLAIIGYAMRNARKGKHILVSAVEHMSV
INPAKFLQKQGFEVEYIPVGKYGEVDVSFIDQKLRDDTILVSVQHANNEI
GTIQPVEEISEVLAGKAALHIDATASVGQIEVDVEKIGADMLTISSNDIY
GPKGVGALWIRKEAKLQPVILGGGQENGLRSGSENVPSIVGFGKAAEITA
MEWREEAERLRRLRDRIIDNVLKIEESYLNGHPEKRLPNNVNVRFSYIEG
ESIVLSLDMAGIQASTGSACSSKTLQPSHVLMACGLKHEEAHGTLLLTLG
RYNTDEDVDRLLEVLPGVIERLRSMSP
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 chain4eb7 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4eb7 (IscS-IscU)2 complex structures provide insights into Fe2S2 biogenesis and transfer.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		G233 S234
Binding residue
(residue number reindexed from 1)		G232 S233
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H98 D173 A176 D199 C321
Catalytic site (residue number reindexed from 1) H97 D172 A175 D198 C320
Enzyme Commision number 2.8.1.7: cysteine desulfurase.
Gene Ontology
Molecular Function
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: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:4eb7, PDBe:4eb7, PDBj:4eb7
PDBsum4eb7
PubMed22511353
UniProtO29689|ISCS2_ARCFU Cysteine desulfurase IscS 2 (Gene Name=iscS2)

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