Structure of PDB 1w9w Chain A Binding Site BS01

Receptor Information

>1w9w Chain A (length=134) Species: 86665 (Halalkalibacterium halodurans)

DLKNPYERIQAEAYDAMSGIQTEGTDDDGGGDNIGWINDGDWVKYERVHF
ERDASSIEVRVASDTPGGRIEIRTGSPTGTLLGDVQVPNTGGWQQWQTVT
GNVQIQPGTYDVYLVFKGSPEYDLMNVNWFVFRA

Ligand information

• Ligand ID: BGC
• 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-VFUOTHLCSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.7.6: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: beta-D-glucopyranose;
  beta-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL1614854
• DrugBank: DB02379
• ZINC: ZINC000003833800
• PDB chain: 1w9w Chain B Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1w9w Family 6 Carbohydrate Binding Modules Recognize the Non-Reducing End of Beta-1,3-Linked Glucans by Presenting a Unique Ligand Binding Surface
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): D70 N95
• Binding residue (residue number reindexed from 1): D64 N89
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.39: glucan endo-1,3-beta-D-glucosidase.

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

External links

• PDB: RCSB:1w9w, PDBe:1w9w, PDBj:1w9w
• PDBsum: 1w9w
• PubMed: 15501830
• UniProt: Q9KG76|ENG1_HALH5 Glucan endo-1,3-beta-D-glucosidase (Gene Name=BH0236)