Structure of PDB 1q8s Chain B Binding Site BS02

Receptor Information

>1q8s Chain B (length=241) Species: 182271 (Pterocarpus angolensis)

QDSLSFGFPTFPSDQKNLIFQGDAQIKNNAVQLTKTDSNGNPVASTVGRI
LFSAQVHLWEKSSSRVANFQSQFSFSLKSPLSNGADGIAFFIAPPDTTIP
SGSGGGLLGLFAPGTAQNTSANQVIAVEFDTFYAQDSNTWDPNYPHIGID
VNSIRSVKTVKWDRRDGQSLNVLVTFNPSTRNLDVVATYSDGTRYEVSYE
VDVRSVLPEWVRVGFSAASGEQYQTHTLESWSFTSTLLYTA

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: 1q8s Chain D Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1q8s Structural Basis of Oligomannose Recognition by the Pterocarpus angolensis Seed Lectin
• Resolution: 2.05 Å
• Binding residue (original residue number in PDB): A85 D86 G106 F132 N138 G220 E221 Q222
• Binding residue (residue number reindexed from 1): A85 D86 G106 F132 N138 G220 E221 Q222
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding
• GO:0046872 metal ion binding

External links

• PDB: RCSB:1q8s, PDBe:1q8s, PDBj:1q8s
• PDBsum: 1q8s
• PubMed: 14729339
• UniProt: Q8GSD2