Structure of PDB 5u4h Chain B Binding Site BS01
Receptor Information
>5u4h Chain B (length=420) Species:
470
(Acinetobacter baumannii) [
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NAMDKFLITGGVKLEGEVRISGAKNAALPLLAAMILADSPITLTNVPNLK
DVNTLVKLIGGLGVTISYENDTVKADTSTLDNQFAPYELVKTMRASILVL
GPLLARYGNAKVSLPGGCAIGSRPVDQHLKALEALGAHIEVENGYVHATV
DGRLKGGEVVFDMVTVGGTENILMAAALADGVTTIRNAAREPEITDLAQM
LIKMGAKIEGLDTDTLVVTGVESLHGCEYAVVADRIETGSYLAAAAITGG
RVKTTHTDPSLLEAVLDKFEEMGAEVTRGDDWIELDMLGKRPKAVSFRTL
PHPEFPTDMQAQIMAVNAIGRGFATISETIFENRFMHVPELSRMGANIQV
EGHDAVVTGVEKLQAAPVMATDLRASFSLVLAALVAEGDTLIDRIYHIDR
GYEHVEEKLQGLGAKIKRVS
Ligand information
Ligand ID
0V5
InChI
InChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m1/s1
InChIKey
CSZRNWHGZPKNKY-UWTATZPHSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
C[C@H](C(=O)O)OP(=O)(O)O
CACTVS 3.370
C[CH](O[P](O)(O)=O)C(O)=O
CACTVS 3.370
C[C@@H](O[P](O)(O)=O)C(O)=O
ACDLabs 12.01
O=P(OC(C(=O)O)C)(O)O
OpenEye OEToolkits 1.7.6
CC(C(=O)O)OP(=O)(O)O
Formula
C3 H7 O6 P
Name
(2R)-2-(phosphonooxy)propanoic acid
ChEMBL
CHEMBL1941138
DrugBank
DB01733
ZINC
ZINC000006491507
PDB chain
5u4h Chain B Residue 506 [
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Receptor-Ligand Complex Structure
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PDB
5u4h
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.
Resolution
1.05 Å
Binding residue
(original residue number in PDB)
R92 C116 R398
Binding residue
(residue number reindexed from 1)
R94 C118 R400
Annotation score
1
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
PDBsum
5u4h
PubMed
UniProt
A0A0R0VXX6
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