Structure of PDB 1p5d Chain X Binding Site BS01

Receptor Information
>1p5d 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 IDG1P
InChIInChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
InChIKeyHXXFSFRBOHSIMQ-VFUOTHLCSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01O=P(O)(OC1OC(C(O)C(O)C1O)CO)O
OpenEye OEToolkits 1.7.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@H](O[P](O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.0C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O
FormulaC6 H13 O9 P
Name1-O-phosphono-alpha-D-glucopyranose;
ALPHA-D-GLUCOSE-1-PHOSPHATE;
1-O-phosphono-alpha-D-glucose;
1-O-phosphono-D-glucose;
1-O-phosphono-glucose
ChEMBL
DrugBankDB02843
ZINCZINC000004073375
PDB chain1p5d Chain X Residue 658 [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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PDB1p5d Structural basis of diverse substrate recognition by the enzyme PMM/PGM from P. aeruginosa.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		Y17 S108 R247 T306 G307 H308 E325 S327 H329 R421 S423 T425
Binding residue
(residue number reindexed from 1)		Y9 S100 R239 T298 G299 H300 E317 S319 H321 R413 S415 T417
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R20 S108 H109 K118 D242 D244 D246 R247 H329 D340
Catalytic site (residue number reindexed from 1) R12 S100 H101 K110 D234 D236 D238 R239 H321 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:1p5d, PDBe:1p5d, PDBj:1p5d
PDBsum1p5d
PubMed14725765
UniProtP26276|ALGC_PSEAE Phosphomannomutase/phosphoglucomutase (Gene Name=algC)

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