Structure of PDB 6cn1 Chain E Binding Site BS02

Receptor Information
>6cn1 Chain E (length=421) Species: 160488 (Pseudomonas putida KT2440) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDKLIITGGARLDGEIRISGAKNAALPILAATLLADGPVTVGNLPHLHDI
TTMIELFGRMGIEPVIDEKLSVEIDPRTIKTLVAPYELVKTMRASILVLG
PMVARFGEAEVALPGGCAIGSRPVDLHIRGLEAMGAKIEVEGGYIKAKAP
EGGLRGAHFFFDTVSVTGTENIMMAAALAKGRSVLQNAAREPEVVDLANF
INAMGGNIQGAGTDTITIDGVERLDSANYRVMPDRIETGTYLVAAAVTGG
RVKVKDTDPTILEAVLEKLKEAGADINTGEDWIELDMHGKRPKAVNLRTA
PYPAFPTDMQAQFISLNAIAEGTGAVIETIFENRFMHVYEMHRMGAQIQV
EGNTAIVTGVKALKGAPVMATDLRASASLVLSALVAEGDTLIDRIYHIDR
GYECIEEKLQMLGAKIRRVPG
Ligand information
Ligand ID0V5
InChIInChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m1/s1
InChIKeyCSZRNWHGZPKNKY-UWTATZPHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C[C@H](C(=O)O)OP(=O)(O)O
CACTVS 3.370C[CH](O[P](O)(O)=O)C(O)=O
CACTVS 3.370C[C@@H](O[P](O)(O)=O)C(O)=O
ACDLabs 12.01O=P(OC(C(=O)O)C)(O)O
OpenEye OEToolkits 1.7.6CC(C(=O)O)OP(=O)(O)O
FormulaC3 H7 O6 P
Name(2R)-2-(phosphonooxy)propanoic acid
ChEMBLCHEMBL1941138
DrugBankDB01733
ZINCZINC000006491507
PDB chain6cn1 Chain E Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6cn1 2.75 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Pseudomonas putida in Complex with Uridine-diphosphate-2(n-acetylglucosaminyl) butyric acid, (2R)-2-(phosphonooxy)propanoic acid and Magnesium.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		R93 C117 R400
Binding residue
(residue number reindexed from 1)		R93 C117 R400
Annotation score1
Enzymatic activity
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6cn1, PDBe:6cn1, PDBj:6cn1
PDBsum6cn1
PubMed
UniProtQ88P88|MURA_PSEPK UDP-N-acetylglucosamine 1-carboxyvinyltransferase (Gene Name=murA)

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