Structure of PDB 3iss Chain C Binding Site BS01

Receptor Information
>3iss Chain C (length=418) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDKFRVQGPTKLQGEVTISGAKNAALPILFAALLAEEPVEIQNVPKLKDV
DTSMKLLSQLGAKVERDGSVHIDARDVNVFCAPYDLVKTMRASIWALGPL
VARFGQGQVSLPGGCTIGARPVDLHISGLEQLGATIKLEEGYVKASVDGR
LKGAHIVMDKVSVGATVTIMCAATLAEGTTIIENAAREPEIVDTANFLIT
LGAKISGQGTDRIVIEGVERLGGGVYRVLPDRIETGTFLVAAAISRGKII
CRNAQPDTLDAVLAKLRDAGADIEVGEDWISLDMHGKRPKAVNVRTAPHP
AFPTDMQAQFTLLNLVAEGTGFITETVFENRFMHVPELSRMGAHAEIESN
TVICHGVEKLSGAQVMATDLRASASLVLAGCIAEGTTVVDRIYHIDRGYE
RIEDKLRALGANIERVKG
Ligand information
Ligand IDPO3
InChIInChI=1S/O3P/c1-4(2)3/q-3
InChIKeyAQSJGOWTSHOLKH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P-]([O-])=O
ACDLabs 10.04[O-][PH2-]([O-])=O
OpenEye OEToolkits 1.5.0[O-][P-](=O)[O-]
FormulaO3 P
NamePHOSPHITE ION
ChEMBL
DrugBank
ZINC
PDB chain3iss Chain C Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3iss Evidence of Kinetic Control of Ligand Binding and Staged Product Release in MurA (Enolpyruvyl UDP-GlcNAc Synthase)-Catalyzed Reactions .
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R91 C115 R397
Binding residue
(residue number reindexed from 1)		R91 C115 R397
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K22 N23 D49 A92 C115 R120 H299 D305 E325 L370 R371 R397
Catalytic site (residue number reindexed from 1) K22 N23 D49 A92 C115 R120 H299 D305 E325 L370 R371 R397
Enzyme Commision number 2.5.1.7: UDP-N-acetylglucosamine 1-carboxyvinyltransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008760 UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
Biological Process
GO:0008360 regulation of cell shape
GO:0009252 peptidoglycan biosynthetic process
GO:0019277 UDP-N-acetylgalactosamine biosynthetic process
GO:0051301 cell division
GO:0071555 cell wall organization
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
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Cellular Component
External links
PDB RCSB:3iss, PDBe:3iss, PDBj:3iss
PDBsum3iss
PubMed19899805
UniProtP0A749|MURA_ECOLI UDP-N-acetylglucosamine 1-carboxyvinyltransferase (Gene Name=murA)

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