Structure of PDB 2qc1 Chain A Binding Site BS01

Receptor Information

>2qc1 Chain A (length=74) Species: 8616 (Bungarus multicinctus)

IVCHTTATSPISAVTCPPGENLCYRKMWCDVFCSSRGKVVELGCAATCPS
KKPYEEVTCCSTDKCNPHPKQRPG

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: 2qc1 Chain C Residue 8

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2qc1 Crystal structure of the extracellular domain of nAChR alpha1 bound to alpha-bungarotoxin at 1.94 A resolution.
• Resolution: 1.94 Å
• Binding residue (original residue number in PDB): T8 S9
• Binding residue (residue number reindexed from 1): T8 S9
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0030550 acetylcholine receptor inhibitor activity
• GO:0090729 toxin activity
• GO:0099106 ion channel regulator activity

Biological Process

• GO:0035821 modulation of process of another organism

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:2qc1, PDBe:2qc1, PDBj:2qc1
• PDBsum: 2qc1
• PubMed: 17643119
• UniProt: P60616|3L21V_BUNMU Alpha-bungarotoxin isoform V31