Structure of PDB 3ikq Chain B Binding Site BS04

Receptor Information

>3ikq Chain B (length=146) Species: 9606 (Homo sapiens)

QVEALQGQVQHLQAAFSQYKKVELFPNGQSVGEKIFKTAGFVKPFTEAQL
LCTQAGGQLASPRSAAENAALQQLVVAKNEAAFLSMTDSKTEGKFTYPTG
ESLVYSNWAPGEPNDDGGSEDCVEIFTNGKWNDRACGEKRLVVCEF

Ligand information

• Ligand ID: MAN
• 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-PQMKYFCFSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  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([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-mannopyranose;
  alpha-D-mannose;
  D-mannose;
  mannose
• ChEMBL: CHEMBL365590
• ZINC: ZINC000003860903
• PDB chain: 3ikq Chain B Residue 405

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ikq Structural characterisation of ligand-binding determinants in human lung surfactant protein D: influence of Asp325
• Resolution: 2.25 Å
• Binding residue (original residue number in PDB): E321 N323 E329 N341 R343
• Binding residue (residue number reindexed from 1): E112 N114 E120 N132 R134
• Annotation score: 4

External links

• PDB: RCSB:3ikq, PDBe:3ikq, PDBj:3ikq
• PDBsum: 3ikq
• PubMed: 19799916
• UniProt: P35247|SFTPD_HUMAN Pulmonary surfactant-associated protein D (Gene Name=SFTPD)