Structure of PDB 2rie Chain C Binding Site BS04

Receptor Information

>2rie Chain C (length=145) Species: 9606 (Homo sapiens)

VEALQGQVQHLQAAFSQYKKVELFPNGQSVGEKIFKTAGFVKPFTEAQLL
CTQAGGQLASPRSAAENAALQQLVVAKNEAAFLSMTDSKTEGKFTYPTGE
SLVYSNWAPGEPNDDGGSEDCVEIFTNGKWNDRACGEKRLVVCEF

Ligand information

• Ligand ID: 293
• InChI: InChI=1S/C7H14O6/c8-2-4(10)7-6(12)3(9)1-5(11)13-7/h3-12H,1-2H2/t3-,4+,5+,6+,7-/m1/s1
• InChIKey: XKBYYTRLKVABMB-PFCGLBSHSA-N
• SMILES:
  CACTVS 3.341: OC[CH](O)[CH]1O[CH](O)C[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H](O)[C@H]1O[C@H](O)C[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(OC(O)CC1O)C(O)CO
  OpenEye OEToolkits 1.5.0: C1C(C(C(OC1O)C(CO)O)O)O
  OpenEye OEToolkits 1.5.0: C1[C@H]([C@@H]([C@H](O[C@@H]1O)[C@H](CO)O)O)O
• Formula: C7 H14 O6
• Name: 2-deoxy-beta-L-galacto-heptopyranose;
  (2S,4R,5S,6R)-6-((S)-1,2-dihydroxyethyl)tetrahydro-2H-pyran-2,4,5-triol;
  2-deoxy-L-glycero-D-manno-heptose;
  2-deoxy-beta-L-galacto-heptose;
  2-deoxy-L-galacto-heptose;
  2-deoxy-galacto-heptose
• PDB chain: 2rie Chain C Residue 356

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2rie Recognition of heptoses and the inner core of bacterial lipopolysaccharides by surfactant protein d.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): E321 N323 D325 E329 N341
• Binding residue (residue number reindexed from 1): E111 N113 D115 E119 N131
• Annotation score: 1

External links

• PDB: RCSB:2rie, PDBe:2rie, PDBj:2rie
• PDBsum: 2rie
• PubMed: 18092821
• UniProt: P35247|SFTPD_HUMAN Pulmonary surfactant-associated protein D (Gene Name=SFTPD)