Structure of PDB 2bwm Chain A Binding Site BS03

Receptor Information

>2bwm Chain A (length=400) Species: 71681 (Lacrymaria velutina)

SVVVISQALPVPTRIPGVADLVGFGNGGVYIIRNSLLIQVVKVINNFGYD
AGGWRVEKHVRLLADTTGDNQSDVVGFGENGVWISTNNGNNTFVDPPKMV
LANFAYAAGGWRVEKHIRFMADLRKTGRADIVGFGDGGIYISRNNGGGQF
APAQLALNNFGYAQGWRLDRHLRFLADVTGDGLLDVVGFGENQVYIARNS
GNGTFQPAQAVVNNFCIGAGGWTISAHPRVVADLTGDRKADILGFGVAGV
YTSLNNGNGTFGAVNLVLKDFGVNSGWRVEKHVRCVSSLTNKKVGDIIGF
GDAGVYVALNNGNGTFGPVKRVIDNFGYNQGWRVDKHPRFVVDLTGDGCA
DIVGFGENSVWACMNKGDGTFGPIMKLIDDMTVSKGWTLQKTVRYAANLY

Ligand information

• Ligand ID: SNG
• InChI: InChI=1S/C9H17NO5Se/c1-4(12)10-6-8(14)7(13)5(3-11)15-9(6)16-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9+/m1/s1
• InChIKey: AZZZNYGPGINRNT-OKNNCHMLSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1[Se]C)CO)O)O
  CACTVS 3.341: C[Se][CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O
  CACTVS 3.341: C[Se][C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
  OpenEye OEToolkits 1.5.0: CC(=O)NC1C(C(C(OC1[Se]C)CO)O)O
  ACDLabs 10.04: O=C(NC1C(O)C(O)C(OC1[Se]C)CO)C
• Formula: C9 H17 N O5 Se
• Name: methyl 2-acetamido-2-deoxy-1-seleno-beta-D-glucopyranoside;
  METHYL 2-ACETAMIDO-1,2-DIDEOXY-1-SELENO-BETA-D-GLUCOPYRANOSIDE;
  methyl 2-acetamido-2-deoxy-1-seleno-beta-D-glucoside;
  methyl 2-acetamido-2-deoxy-1-seleno-D-glucoside;
  methyl 2-acetamido-2-deoxy-1-seleno-glucoside
• PDB chain: 2bwm Chain A Residue 1403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2bwm Beta-Propeller Crystal Structure of Psathyrella Velutina Lectin: An Integrin-Like Fungal Protein Interacting with Monosaccharides and Calcium.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): N46 G52 W54 H59 G78 E79
• Binding residue (residue number reindexed from 1): N46 G52 W54 H59 G78 E79
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

External links

• PDB: RCSB:2bwm, PDBe:2bwm, PDBj:2bwm
• PDBsum: 2bwm
• PubMed: 16497330
• UniProt: Q309D1