Structure of PDB 5a03 Chain A Binding Site BS02

Receptor Information

>5a03 Chain A (length=335) Species: 190650 (Caulobacter vibrioides CB15)

RKLGYAILGLGYYATRIIMPRFAECEHSRLAALVSGTPEKLKTYGEQYGI
PETHRYSYETFDRIIDNPDVDIVYVITPNSLHRPFTERAARAGKHVMCEK
PMANTVADCEAMIAACKKAGRKLMIGYRSRFQAHNIEAIKLVRDGALGPV
RTVVTDHGFTIGDPKQWRLNRALAGGGSLMDIGIYSLNAARYLTGEEPVA
VNAVESTDRSDPRFGEVEDIINFQLLFPSGATANCVSAYSVNCNRYRVSG
PKGWVEIDPATSYQGQAMRAQLGGPPAPREPAPQPKNQFSAQLDHLSECI
LTGREPIVGGDDGLKDLRVIEAIYRAAREGRTVKL

Ligand information

• Ligand ID: XYP
• InChI: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1
• InChIKey: SRBFZHDQGSBBOR-KKQCNMDGSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1C(C(C(C(O1)O)O)O)O
  CACTVS 3.341: O[C@@H]1CO[C@@H](O)[C@H](O)[C@H]1O
  OpenEye OEToolkits 1.5.0: C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
  CACTVS 3.341: O[CH]1CO[CH](O)[CH](O)[CH]1O
  ACDLabs 10.04: OC1C(O)COC(O)C1O
• Formula: C5 H10 O5
• Name: beta-D-xylopyranose;
  beta-D-xylose;
  D-xylose;
  xylose
• ZINC: ZINC000001529215
• PDB chain: 5a03 Chain A Residue 1341

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5a03 Structure and Function of Caulobacter Crescentus Aldose-Aldose Oxidoreductase.
• Resolution: 1.848 Å
• Binding residue (original residue number in PDB): K104 F163 R172 D185 Y189
• Binding residue (residue number reindexed from 1): K100 F159 R168 D181 Y185
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): K104 Y189
• Catalytic site (residue number reindexed from 1): K100 Y185
• Enzyme Commision number: 1.1.99.-

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding

External links

• PDB: RCSB:5a03, PDBe:5a03, PDBj:5a03
• PDBsum: 5a03
• PubMed: 26438878
• UniProt: Q9A8X3