Structure of PDB 2fkm Chain X Binding Site BS01

Receptor Information
>2fkm Chain X (length=454) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PASIFRAYDIRGVVGDTLTAETAYWIGRAIGSESLARGEPCVAVGRDGRL
SGPELVKQLIQGLVDCGCQVSDVGMVPTPVLYYAANVLEGKSGVMLTGDH
NPPDYNGFKIVVAGETLANEQIQALRERIEKNDLASGVGSVEQVDILPRY
FKQIRDDIAMAKPMKVVVDCGNGVAGVIAPQLIEALGCSVIPLYCEVDGN
FPNHHPDPGKPENLKDLIAKVKAENADLGLAFDGDGDRVGVVTNTGTIIY
PDRLLMLFAKDVVSRNPGADIIFDVKCTRRLIALISGYGGRPVMWKTGHS
LIKKKMKETGALLAGEMSGHVFFKERWFGFDDGIYSAARLLEILSQDQRD
SEHVFSAFPSDISTPEINITVTEDSKFAIIEALQRDAQWGEGNITTLDGV
RVDYPKGWGLVRASNTTPVLVLRFEADTEEELERIKTVFRNQLKAVDSSL
PVPF
Ligand information
Ligand IDG16
InChIInChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/p-1/t2-,3-,4+,5-,6-/m1/s1
InChIKeyRWHOZGRAXYWRNX-VFUOTHLCSA-M
SMILES
SoftwareSMILES
CACTVS 3.341O[C@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H](O[P](O)([O-])=O)[C@@H]1O
ACDLabs 10.04O=P([O-])(OC1OC(C(O)C(O)C1O)COP(=O)(O)O)O
CACTVS 3.341O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH](O[P](O)([O-])=O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)OP(=O)(O)[O-])O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O
FormulaC6 H13 O12 P2
Name1,6-di-O-phosphono-alpha-D-glucopyranose;
ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE;
1,6-di-O-phosphono-alpha-D-glucose;
1,6-di-O-phosphono-D-glucose;
1,6-di-O-phosphono-glucose
ChEMBL
DrugBank
ZINC
PDB chain2fkm Chain X Residue 464 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2fkm The reaction of phosphohexomutase from Pseudomonas aeruginosa: structural insights into a simple processive enzyme.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y17 K118 R247 T306 G307 H308 E325 S327 H329 R421 S423 N424 T425
Binding residue
(residue number reindexed from 1)		Y8 K109 R238 T297 G298 H299 E316 S318 H320 R412 S414 N415 T416
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) H109 D242 D244 D246 R247 D340
Catalytic site (residue number reindexed from 1) H100 D233 D235 D237 R238 D331
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:2fkm, PDBe:2fkm, PDBj:2fkm
PDBsum2fkm
PubMed16595672
UniProtP26276|ALGC_PSEAE Phosphomannomutase/phosphoglucomutase (Gene Name=algC)

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