Structure of PDB 3g81 Chain A Binding Site BS04

Receptor Information

>3g81 Chain A (length=151) Species: 9606 (Homo sapiens)

ASLRQQVEALQGQVQHLQAAFSQYKKVELFPNGQSVGEKIFKTAGFVKPF
TEAQLLCTQAGGQLASPRSAAENAALQQLVVAKNEAAFLSMTDSKTEGKF
TYPTGESLVYSNWAPGEPNDDGGSEDCVEIFTNGKWNDRACGEKRLVVCE
F

Ligand information

• Ligand ID: MMA
• InChI: InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
• InChIKey: HOVAGTYPODGVJG-VEIUFWFVSA-N
• SMILES:
  CACTVS 3.341: CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(O)C(OC1OC)CO
  OpenEye OEToolkits 1.5.0: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
  CACTVS 3.341: CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: COC1C(C(C(C(O1)CO)O)O)O
• Formula: C7 H14 O6
• Name: methyl alpha-D-mannopyranoside;
  O1-METHYL-MANNOSE;
  methyl alpha-D-mannoside;
  methyl D-mannoside;
  methyl mannoside
• ChEMBL: CHEMBL195368
• DrugBank: DB01979
• ZINC: ZINC000004261920
• PDB chain: 3g81 Chain A Residue 500

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3g81 Recognition of mannosylated ligands and influenza A virus by human surfactant protein D: contributions of an extended site and residue 343.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): E321 N323 E329 N341 R343
• Binding residue (residue number reindexed from 1): E117 N119 E125 N137 R139
• Annotation score: 4

External links

• PDB: RCSB:3g81, PDBe:3g81, PDBj:3g81
• PDBsum: 3g81
• PubMed: 19249874
• UniProt: P35247|SFTPD_HUMAN Pulmonary surfactant-associated protein D (Gene Name=SFTPD)