Structure of PDB 5uqi Chain A Binding Site BS01

Receptor Information

>5uqi Chain A (length=188) Species: 199310 (Escherichia coli CFT073)

MNNTDLIHLIKHFMHNELKAVEEVIDSPLSEFANLIKVLQSCQGKVVFIG
VGKSGIIARKLAATFASTGTPSFFVHGTEAVHGDLGMVAKDDVVILISNS
GETAEILATLPSLKKMGNYLISFTRSHHSSLAISCDLSVEIPVKSEADNL
GLAPSCSSTVVLVVGDAVALALSELKKFTRADFGLYHP

Ligand information

• Ligand ID: A5P
• InChI: InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5+/m1/s1
• InChIKey: VJDOAZKNBQCAGE-WDCZJNDASA-N
• SMILES:
  CACTVS 3.341: OC[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
  OpenEye OEToolkits 1.5.0: C(C(C(C(COP(=O)(O)O)O)O)O)O
  CACTVS 3.341: OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
  ACDLabs 10.04: O=P(O)(O)OCC(O)C(O)C(O)CO
  OpenEye OEToolkits 1.5.0: C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O
• Formula: C5 H13 O8 P
• Name: ARABINOSE-5-PHOSPHATE
• DrugBank: DB03745
• ZINC: ZINC000003871578
• PDB chain: 5uqi Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5uqi Insights into the mechanism of arabinose-5-phosphate isomerases.
• Resolution: 1.62 Å
• Binding residue (original residue number in PDB): G52 K53 S54 S98 N99 S100 T103 P154
• Binding residue (residue number reindexed from 1): G52 K53 S54 S98 N99 S100 T103 P154
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0016853 isomerase activity
• GO:0097367 carbohydrate derivative binding

Biological Process

• GO:1901135 carbohydrate derivative metabolic process

External links

• PDB: RCSB:5uqi, PDBe:5uqi, PDBj:5uqi
• PDBsum: 5uqi
• UniProt: A0A0H2VCL5