Structure of PDB 5u4h Chain B Binding Site BS01

Receptor Information
>5u4h Chain B (length=420) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAMDKFLITGGVKLEGEVRISGAKNAALPLLAAMILADSPITLTNVPNLK
DVNTLVKLIGGLGVTISYENDTVKADTSTLDNQFAPYELVKTMRASILVL
GPLLARYGNAKVSLPGGCAIGSRPVDQHLKALEALGAHIEVENGYVHATV
DGRLKGGEVVFDMVTVGGTENILMAAALADGVTTIRNAAREPEITDLAQM
LIKMGAKIEGLDTDTLVVTGVESLHGCEYAVVADRIETGSYLAAAAITGG
RVKTTHTDPSLLEAVLDKFEEMGAEVTRGDDWIELDMLGKRPKAVSFRTL
PHPEFPTDMQAQIMAVNAIGRGFATISETIFENRFMHVPELSRMGANIQV
EGHDAVVTGVEKLQAAPVMATDLRASFSLVLAALVAEGDTLIDRIYHIDR
GYEHVEEKLQGLGAKIKRVS
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 chain5u4h Chain B Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5u4h 1.05 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Acinetobacter baumannii in Covalently Bound Complex with (2R)-2-(phosphonooxy)propanoic Acid.
Resolution1.05 Å
Binding residue
(original residue number in PDB)
R92 C116 R398
Binding residue
(residue number reindexed from 1)
R94 C118 R400
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K22 N23 D49 R92 C116 R121 D306 H335 L371 R372 R398
Catalytic site (residue number reindexed from 1) K24 N25 D51 R94 C118 R123 D308 H337 L373 R374 R400
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:5u4h, PDBe:5u4h, PDBj:5u4h
PDBsum5u4h
PubMed
UniProtA0A0R0VXX6

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