Structure of PDB 3ph4 Chain A Binding Site BS02

Receptor Information

>3ph4 Chain A (length=148) Species: 203119 (Acetivibrio thermocellus ATCC 27405)

MKIGIGSDHGGYNLKREIADFLKKRGYEVIDFGTHGNESVDYPDFGLKVA
EAVKSGECDRGIVICGTGLGISIAANKVPGIRAAVCTNSYMARMSREHND
ANILALGERVVGLDLALDIVDTWLKAEFQGGRHATRVGKIGEIEKKYS

Ligand information

• Ligand ID: AOS
• InChI: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m0/s1
• InChIKey: GZCGUPFRVQAUEE-BGPJRJDNSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O
  CACTVS 3.341: OC[CH](O)[CH](O)[CH](O)[CH](O)C=O
  CACTVS 3.341: OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O
  ACDLabs 10.04: O=CC(O)C(O)C(O)C(O)CO
  OpenEye OEToolkits 1.5.0: C(C(C(C(C(C=O)O)O)O)O)O
• Formula: C6 H12 O6
• Name: D-ALLOSE
• ZINC: ZINC000002508226
• PDB chain: 3ph4 Chain B Residue 1655

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ph4 Crystal structure of Clostridium thermocellum ribose-5-phosphate isomerase B reveals properties critical for fast enzyme kinetics.
• Resolution: 2.07 Å
• Binding residue (original residue number in PDB): H98 R132 R136
• Binding residue (residue number reindexed from 1): H98 R132 R136
• Annotation score: 2

Enzymatic activity

• Catalytic site (original residue number in PDB): D8 C65 T67 H98 H133
• Catalytic site (residue number reindexed from 1): D8 C65 T67 H98 H133
• Enzyme Commision number: 5.3.1.6: ribose-5-phosphate isomerase.

Gene Ontology

Molecular Function

• GO:0004751 ribose-5-phosphate isomerase activity
• GO:0016853 isomerase activity
• GO:0016861 intramolecular oxidoreductase activity, interconverting aldoses and ketoses

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:3ph4, PDBe:3ph4, PDBj:3ph4
• PDBsum: 3ph4
• PubMed: 21253719
• UniProt: A3DIL8