Structure of PDB 7jud Chain B Binding Site BS02

Receptor Information

>7jud Chain B (length=132) Species: 9606 (Homo sapiens)

ACPEDWGASSRTSLCFKLYAKEKKTWFESRDFCRALGGDLASINNKEEQQ
TIWRLITASGSYHKLFWLGLTYGSPSEGFTWSDGSPVSYENWAYGEPNNY
QNVEYCGELKGDPTMSWNDINCEHLNNWICQI

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: 7jud Chain B Residue 802

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7jud Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206.
• Resolution: 1.4 Å
• Binding residue (original residue number in PDB): E725 N727 Y729 E733 N747
• Binding residue (residue number reindexed from 1): E96 N98 Y100 E104 N118
• Annotation score: 4

External links

• PDB: RCSB:7jud, PDBe:7jud, PDBj:7jud
• PDBsum: 7jud
• PubMed: 33545173
• UniProt: P22897|MRC1_HUMAN Macrophage mannose receptor 1 (Gene Name=MRC1)