Structure of PDB 3p5g Chain B Binding Site BS02

Receptor Information

>3p5g Chain B (length=128) Species: 9606 (Homo sapiens)

GWKYFKGNFYYFSLIPKTWYSAEQFCVSRNSHLTSVTSESEQEFLYKTAG
GLIYWIGLTKAGMEGDWSWVDDTPFNKVQSARFWIPGEPNNAGNNEHCGN
IKAPSLQAWNDAPCDKTFLFICKRPYVP

Ligand information

• Ligand ID: GLA
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1
• InChIKey: WQZGKKKJIJFFOK-PHYPRBDBSA-N
• SMILES:
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-galactopyranose;
  alpha-D-galactose;
  D-galactose;
  galactose;
  ALPHA D-GALACTOSE
• ChEMBL: CHEMBL1233058
• ZINC: ZINC000000901155
• PDB chain: 3p5g Chain F Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3p5g Structural Basis for Langerin Recognition of Diverse Pathogen and Mammalian Glycans through a Single Binding Site.
• Resolution: 1.6027 Å
• Binding residue (original residue number in PDB): P283 G284 E285 N287
• Binding residue (residue number reindexed from 1): P86 G87 E88 N90
• Annotation score: 4

External links

• PDB: RCSB:3p5g, PDBe:3p5g, PDBj:3p5g
• PDBsum: 3p5g
• PubMed: 21112338
• UniProt: Q9UJ71|CLC4K_HUMAN C-type lectin domain family 4 member K (Gene Name=CD207)