Structure of PDB 2ioy Chain A Binding Site BS01

Receptor Information

>2ioy Chain A (length=274) Species: 119072 (Caldanaerobacter subterraneus subsp. tengcongensis)

KTIGLVISTLNNPFFVTLKNGAEEKAKELGYKIIVEDSQNDSSKELSNVE
DLIQQKVDVLLINPVDSDAVVTAIKEANSKNIPVITIDRSANGGDVVCHI
ASDNVKGGEMAAEFIAKALKGKGNVVELEGIPGASAARDRGKGFDEAIAK
YPDIKIVAKQAADFDRSKGLSVMENILQAQPKIDAVFAQNDEMALGAIKA
IEAANRQGIIVVGFDGTEDALKAIKEGKMAATIAQQPALMGSLGVEMADK
YLKGEKIPNFIPAELKLITKENVQ

Ligand information

• Ligand ID: RIP
• 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-TXICZTDVSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1C(C(C(C(O1)O)O)O)O
  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
  CACTVS 3.341: O[C@@H]1CO[C@@H](O)[C@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)COC(O)C1O
• Formula: C5 H10 O5
• Name: beta-D-ribopyranose;
  beta-D-ribose;
  D-ribose;
  ribose;
  RIBOSE(PYRANOSE FORM)
• ChEMBL: CHEMBL1159662
• DrugBank: DB04286
• ZINC: ZINC000004097544
• PDB chain: 2ioy Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2ioy The backbone structure of the thermophilic Thermoanaerobacter tengcongensis ribose binding protein is essentially identical to its mesophilic E. coli homolog.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): N13 F15 F16 D89 R90 A137 R141 F165 N191 D216 Q236
• Binding residue (residue number reindexed from 1): N12 F14 F15 D88 R89 A136 R140 F164 N190 D215 Q235
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

External links

• PDB: RCSB:2ioy, PDBe:2ioy, PDBj:2ioy
• PDBsum: 2ioy
• PubMed: 18373848
• UniProt: Q8RD41