Structure of PDB 3lvj Chain A Binding Site BS01

Receptor Information
>3lvj Chain A (length=384) Species: 155864 (Escherichia coli O157:H7 str. EDL933) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLPIYLDYSATTPVDPRVAEKMMQFMTMDGTFGNPASRSHRFGWQAEEA
VDIARNQIADLVGADPREIVFTSGATESDNLAIKGAANFYQKKGKHIITS
KTEHKAVLDTCRQLEREGFEVTYLAPQRNGIIDLKELEAAMRDDTILVSI
MHVNNEIGVVQDIAAIGEMCRARGIIYHVDATQSVGKLPIDLSQLKVDLM
SFSGHKIYGPKGIGALYVRRKPRVRIEAQMHGGGHERGMRSGTLPVHQIV
GMGEAYRIAKEEMATEMERLRGLRNRLWNGIKDIEEVYLNGDLEHGAPNI
LNVSFNYVEGESLIMALKDLAVSSGSLEPSYVLRALGLNDELAHSSIRFS
LGRFTTEEEIDYTIELVRKSIGRLRDLSPLWEMY
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 chain3lvj Chain A Residue 764 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3lvj Structural basis for Fe-S cluster assembly and tRNA thiolation mediated by IscS protein-protein interactions.
Resolution2.435 Å
Binding residue
(original residue number in PDB)		G74 A75 T76 H104 N155 D180 T182 Q183 S203 H205 K206
Binding residue
(residue number reindexed from 1)		G74 A75 T76 H104 N155 D180 T182 Q183 S203 H205 K206
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H104 D180 T182 Q183 K206 S323
Catalytic site (residue number reindexed from 1) H104 D180 T182 Q183 K206 S323
Enzyme Commision number 2.8.1.7: cysteine desulfurase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
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:0008033 tRNA processing
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:3lvj, PDBe:3lvj, PDBj:3lvj
PDBsum3lvj
PubMed20404999
UniProtP0A6B9|ISCS_ECO57 Cysteine desulfurase IscS (Gene Name=iscS)

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