Structure of PDB 3rsm Chain A Binding Site BS02

Receptor Information
>3rsm Chain A (length=436) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIFRALTAETAYWIGRAIGSESLARGEPCVAVGRDGRLSGPELVKQLIQG
LVDCGCQVSDVGMVPTPVLYYAANVLEGKSGVMLTGCNGFKIVVAGETLA
NEQIQALRERIEKNDLASGVGSVEQVDILPRYFKQIRDDIAMAKPMKVVV
DCGNGVAGVIAPQLIEALGCSVIPLYCEVDGNFPNHHPDPGKPENLKDLI
AKVKAENADLGLAFDGDGDRVGVVTNTGTIIYPDRLLMLFAKDVVSRNPG
ADIIFDVKCTRRLIALISGYGGRPVMWKTGHSLIKKKMKETGALLAGEMS
GHVFFKERWFGFDDGIYSAARLLEILSQDQRDSEHVFSAFPSDISTPEIN
ITVTEDSKFAIIEALQRDAQWGEGNITTLDGVRVDYPKGWGLVRASNTTP
VLVLRFEADTEEELERIKTVFRNQLKAVDSSLPVPF
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 chain3rsm Chain A Residue 464 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3rsm Solution NMR of a 463-residue phosphohexomutase: domain 4 mobility, substates, and phosphoryl transfer defect.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		C108 D242 D244 D246 R247
Binding residue
(residue number reindexed from 1)		C87 D215 D217 D219 R220
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C108 K118 D242 D244 D246 R247 H329 D340
Catalytic site (residue number reindexed from 1) C87 K91 D215 D217 D219 R220 H302 D313
Enzyme Commision number 5.4.2.2: phosphoglucomutase (alpha-D-glucose-1,6-bisphosphate-dependent).
5.4.2.8: phosphomannomutase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004614 phosphoglucomutase activity
GO:0004615 phosphomannomutase activity
GO:0016853 isomerase activity
GO:0016868 intramolecular phosphotransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0009103 lipopolysaccharide biosynthetic process
GO:0009243 O antigen biosynthetic process
GO:0009244 lipopolysaccharide core region biosynthetic process
GO:0009298 GDP-mannose biosynthetic process
GO:0042121 alginic acid biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3rsm, PDBe:3rsm, PDBj:3rsm
PDBsum3rsm
PubMed22242625
UniProtP26276|ALGC_PSEAE Phosphomannomutase/phosphoglucomutase (Gene Name=algC)

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