Structure of PDB 2h5a Chain X Binding Site BS02

Receptor Information
>2h5a Chain X (length=455) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPASIFRAYDIRGVVGDTLTAETAYWIGRAIGSESLARGEPCVAVGRDGR
LSGPELVKQLIQGLVDCGCQVSDVGMVPTPVLYYAANVLEGKSGVMLTGS
HNPPDYNGFKIVVAGETLANEQIQALRERIEKNDLASGVGSVEQVDILPR
YFKQIRDDIAMAKPMKVVVDCGNGVAGVIAPQLIEALGCSVIPLYCEVDG
NFPNHHPDPGKPENLKDLIAKVKAENADLGLAFDGDGDRVGVVTNTGTII
YPDRLLMLFAKDVVSRNPGADIIFDVKCTRRLIALISGYGGRPVMWKTGH
SLIKKKMKETGALLAGEMSGHVFFKERWFGFDDGIYSAARLLEILSQDQR
DSEHVFSAFPSDISTPEINITVTEDSKFAIIEALQRDAQWGEGNITTLDG
VRVDYPKGWGLVRASNTTPVLVLRFEADTEEELERIKTVFRNQLKAVDSS
LPVPF
Ligand information
Ligand IDX1P
InChIInChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3+,4-,5-/m1/s1
InChIKeyILXHFXFPPZGENN-KKQCNMDGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O
CACTVS 3.341O[CH]1CO[CH](O[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)OP(=O)(O)O)O)O)O
CACTVS 3.341O[C@@H]1CO[C@H](O[P](O)(O)=O)[C@H](O)[C@H]1O
ACDLabs 10.04O=P(OC1OCC(O)C(O)C1O)(O)O
FormulaC5 H11 O8 P
Name1-O-phosphono-alpha-D-xylopyranose;
1-O-phosphono-alpha-D-xylose;
1-O-phosphono-D-xylose;
1-O-phosphono-xylose
ChEMBLCHEMBL1236752
DrugBank
ZINC
PDB chain2h5a Chain X Residue 600 [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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PDB2h5a Complexes of the enzyme phosphomannomutase/phosphoglucomutase with a slow substrate and an inhibitor.
Resolution1.72 Å
Binding residue
(original residue number in PDB)		Y17 T306 G307 H308 E325 S327 H329 R421 S423 N424 T425
Binding residue
(residue number reindexed from 1)		Y9 T298 G299 H300 E317 S319 H321 R413 S415 N416 T417
Annotation score2
Binding affinityPDBbind-CN: -logKd/Ki=5.10,Kd=8uM
Enzymatic activity
Catalytic site (original residue number in PDB) H109 D242 D244 D246 R247 D340
Catalytic site (residue number reindexed from 1) H101 D234 D236 D238 R239 D332
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:2h5a, PDBe:2h5a, PDBj:2h5a
PDBsum2h5a
PubMed16880541
UniProtP26276|ALGC_PSEAE Phosphomannomutase/phosphoglucomutase (Gene Name=algC)

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