Structure of PDB 2mwk Chain A Binding Site BS01

Receptor Information

>2mwk Chain A (length=36) Species: 51453 (Trichoderma reesei)

TQSHYGQCGGIGYSGPTVCASGTTCQVLNPYYSQCL

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: 2mwk Chain A Residue 101

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2mwk O-glycosylation effects on family 1 carbohydrate-binding module solution structures.
• Resolution: N/A
• Binding residue (original residue number in PDB): T1 Q2 A20
• Binding residue (residue number reindexed from 1): T1 Q2 A20
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.91: cellulose 1,4-beta-cellobiosidase (non-reducing end).

Gene Ontology

Molecular Function

• GO:0030248 cellulose binding

Biological Process

• GO:0005975 carbohydrate metabolic process

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:2mwk, PDBe:2mwk, PDBj:2mwk
• PDBsum: 2mwk
• PubMed: 26307003
• UniProt: P62694|GUX1_HYPJE Exoglucanase 1 (Gene Name=cbh1)