Structure of PDB 2r23 Chain A Binding Site BS01

Receptor Information

>2r23 Chain A (length=217) Species: 10090 (Mus musculus)

DIVMSQSPSSLAVSAGEKVTMSCKSSQSLLNSRTRKNYLAWYQQKPGQSP
KLLIYWASTRESGVPDRFTGSGSGTDFTLTITSVQAEDLAVYYCKQSYNL
RTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDIN
VKWKIDGSERGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEAT
HKTSTSPIVKSFNRNEC

Ligand information

• Ligand ID: KO1
• InChI: InChI=1S/C8H14O9/c9-1-2(10)5-3(11)4(12)6(13)8(16,17-5)7(14)15/h2-6,9-13,16H,1H2,(H,14,15)/t2-,3-,4+,5-,6+,8-/m1/s1
• InChIKey: GQQWVQCNFJXTNV-CXERMUKYSA-N
• SMILES:
  CACTVS 3.341: OC[C@@H](O)[C@H]1O[C@](O)([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O
  OpenEye OEToolkits 1.5.0: C([C@H]([C@@H]1[C@@H]([C@@H]([C@@H]([C@@](O1)(C(=O)O)O)O)O)O)O)O
  ACDLabs 10.04: O=C(O)C1(O)OC(C(O)CO)C(O)C(O)C1O
  CACTVS 3.341: OC[CH](O)[CH]1O[C](O)([CH](O)[CH](O)[CH]1O)C(O)=O
  OpenEye OEToolkits 1.5.0: C(C(C1C(C(C(C(O1)(C(=O)O)O)O)O)O)O)O
• Formula: C8 H14 O9
• Name: D-glycero-alpha-D-talo-oct-2-ulopyranosonic acid;
  D-glycero-alpha-D-talo-oct-2-ulosonic acid;
  D-glycero-D-talo-oct-2-ulosonic acid;
  D-glycero-talo-oct-2-ulosonic acid
• ZINC: ZINC000058638802
• PDB chain: 2r23 Chain C Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2r23 Exploration of specificity in germline monoclonal antibody recognition of a range of natural and synthetic epitopes.
• Resolution: 1.65 Å
• Binding residue (original residue number in PDB): S91 R95
• Binding residue (residue number reindexed from 1): S97 R101
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

External links

• PDB: RCSB:2r23, PDBe:2r23, PDBj:2r23
• PDBsum: 2r23
• PubMed: 18272175
• UniProt: Q52L64