Structure of PDB 4e84 Chain A Binding Site BS03

Receptor Information
>4e84 Chain A (length=313) Species: 216591 (Burkholderia cenocepacia J2315) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LREVVPVPREQLARSRVLVVGDVMLDRYWFGNVDRISPEAPVPVVHVQRQ
EERLGGAANVARNAVTLGGQAGLLCVVGCDEPGERIVELLGSSGVTPHLE
RDPALPTTIKLRVLARQQQLLRVDFEAMPTHEVLLAGLARFDVLLPQHDV
VLMSDYAKGGLTHVTTMIEKARAAGKAVLVDPKGDDWARYRGASLITPNR
AELREVVGQWKSEDDLRARVANLRAELDIDALLLTRSEEGMTLFSAGGEL
HAPALAREVFDVSGAGDTVIATVATMLGAGVPLVDAVVLANRAAGIVVGK
LGTATVDYDELFH
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain4e84 Chain A Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4e84 Structural-functional studies of Burkholderia cenocepacia D-glycero-beta-D-manno-heptose 7-phosphate kinase (HldA) and characterization of inhibitors with antibiotic adjuvant and antivirulence properties.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		R203 W213 R239
Binding residue
(residue number reindexed from 1)		R200 W210 R236
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
GO:0016779 nucleotidyltransferase activity
GO:0033785 heptose 7-phosphate kinase activity
GO:0033786 heptose-1-phosphate adenylyltransferase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0016310 phosphorylation
GO:0046835 carbohydrate phosphorylation
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4e84, PDBe:4e84, PDBj:4e84
PDBsum4e84
PubMed23256532
UniProtB4EB35

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