Structure of PDB 6cn1 Chain D Binding Site BS02

Receptor Information
>6cn1 Chain D (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 D 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)		M92 R93 C117 A118 R400
Binding residue
(residue number reindexed from 1)		M92 R93 C117 A118 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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