Structure of PDB 1p5g Chain X Binding Site BS01

Receptor Information

>1p5g Chain X (length=455) Species: 287 (Pseudomonas aeruginosa)

LPASIFRAYDIRGVVGDTLTAETAYWIGRAIGSESLARGEPCVAVGRDGR
LSGPELVKQLIQGLVDCGCQVSDVGMVPTPVLYYAANVLEGKSGVMLTGS
HNPPDYNGFKIVVAGETLANEQIQALRERIEKNDLASGVGSVEQVDILPR
YFKQIRDDIAMAKPMKVVVDCGNGVAGVIAPQLIEALGCSVIPLYCEVDG
NFPNHHPDPGKPENLKDLIAKVKAENADLGLAFDGDGDRVGVVTNTGTII
YPDRLLMLFAKDVVSRNPGADIIFDVKCTRRLIALISGYGGRPVMWKTGH
SLIKKKMKETGALLAGEMSGHVFFKERWFGFDDGIYSAARLLEILSQDQR
DSEHVFSAFPSDISTPEINITVTEDSKFAIIEALQRDAQWGEGNITTLDG
VRVDYPKGWGLVRASNTTPVLVLRFEADTEEELERIKTVFRNQLKAVDSS
LPVPF

Ligand information

• Ligand ID: G6P
• InChI: InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
• InChIKey: NBSCHQHZLSJFNQ-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O
  CACTVS 3.341: O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: O[C@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
  ACDLabs 10.04: O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
• Formula: C6 H13 O9 P
• Name: 6-O-phosphono-alpha-D-glucopyranose;
  ALPHA-D-GLUCOSE-6-PHOSPHATE;
  6-O-phosphono-alpha-D-glucose;
  6-O-phosphono-D-glucose;
  6-O-phosphono-glucose
• DrugBank: DB02007
• ZINC: ZINC000003875375
• PDB chain: 1p5g Chain X Residue 658

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1p5g Structural basis of diverse substrate recognition by the enzyme PMM/PGM from P. aeruginosa.
• Resolution: 1.61 Å
• Binding residue (original residue number in PDB): Y17 S108 K285 G307 H308 E325 S327 H329 R421 S423 N424 T425
• Binding residue (residue number reindexed from 1): Y9 S100 K277 G299 H300 E317 S319 H321 R413 S415 N416 T417
• Annotation score: 5

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

External links

• PDB: RCSB:1p5g, PDBe:1p5g, PDBj:1p5g
• PDBsum: 1p5g
• PubMed: 14725765
• UniProt: P26276|ALGC_PSEAE Phosphomannomutase/phosphoglucomutase (Gene Name=algC)