Structure of PDB 1p3w Chain B Binding Site BS01

Receptor Information
>1p3w Chain B (length=385) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLPIYLDYSATTPVDPRVAEKMMQFMTMDGTFGNPASRSHRFGWQAEEAV
DIARNQIADLVGADPREIVFTSGATESDNLAIKGAANFYQKKGKHIITSK
TEHKAVLDTCRQLEREGFEVTYLAPQRNGIIDLKELEAAMRDDTILVSIM
HVNNEIGVVQDIAAIGEMCRARGIIYHVDATQSVGKLPIDLSQLKVDLMS
FSGHKIYGPKGIGALYVRRKPRVRIEAQMHGGGHERGMRSGTLPVHQIVG
MGEAYRIAKEEMATEMERLRGLRNRLWNGIKDIEEVYLNGDLEHGAPNIL
NVSFNYVEGESLIMALKDLAVSSGSAEPSYVLRALGLNDELAHSSIRFSL
GRFTTEEEIDYTIELVRKSIGRLRDLSPLWEMYKQ
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 chain1p3w Chain B Residue 764 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1p3w Crystal Structure of IscS, a Cysteine Desulfurase from Escherichia coli
Resolution2.1 Å
Binding residue
(original residue number in PDB)		A75 T76 H104 D180 T182 Q183 S203 H205 K206
Binding residue
(residue number reindexed from 1)		A74 T75 H103 D179 T181 Q182 S202 H204 K205
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H104 D180 T182 Q183 K206 S323
Catalytic site (residue number reindexed from 1) H103 D179 T181 Q182 K205 S322
Enzyme Commision number 2.8.1.7: cysteine desulfurase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005515 protein binding
GO:0009000 selenocysteine lyase activity
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
GO:0097163 sulfur carrier activity
Biological Process
GO:0002143 tRNA wobble position uridine thiolation
GO:0002937 tRNA 4-thiouridine biosynthesis
GO:0008033 tRNA processing
GO:0009228 thiamine biosynthetic process
GO:0009589 detection of UV
GO:0016226 iron-sulfur cluster assembly
GO:0016261 selenocysteine catabolic process
GO:0018131 oxazole or thiazole biosynthetic process
GO:0019448 L-cysteine catabolic process
GO:0044571 [2Fe-2S] cluster assembly
GO:0072348 sulfur compound transport
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:1990221 L-cysteine desulfurase complex
GO:1990228 sulfurtransferase complex
GO:1990329 IscS-TusA complex
GO:1990330 IscS-IscU complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1p3w, PDBe:1p3w, PDBj:1p3w
PDBsum1p3w
PubMed12860127
UniProtP0A6B7|ISCS_ECOLI Cysteine desulfurase IscS (Gene Name=iscS)

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