Structure of PDB 2w52 Chain A Binding Site BS01

Receptor Information

>2w52 Chain A (length=298)

ATYHLEDNWVGSAFLSTFTHEAIADPTHGRVNYVDQATALAKNLTYASGD
TLILRADHTTTLSPSGPGRNSVRIRSIKTYTTHVAVFDVRHMPQGCGTWP
AAWETDEGDWPNGGEVDIIEGVNDQSPNAMTLHTGANCAMPASRTMTGHA
TNNNCDVNTDGNTGCGVQAPTANSYGPSFNANGGGWYAMERTNSFIKVWF
FPRNAGNVPNDIASGPATINTDNWGTPTAFFPNTNCDIGSHFDANNIIIN
LTFCGDWAGQASIFNGAGCPGSCVDYVNNNPSAFANAYWDIASVRVYQ

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: 2w52 Chain B Residue 7

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2w52 X-Ray Crystal Structures of Phanerochaete Chrysosporium Laminarinase 16A in Complex with Products from Lichenin and Laminarin Hydrolysis
• Resolution: 1.56 Å
• Binding residue (original residue number in PDB): G49 D50 T51
• Binding residue (residue number reindexed from 1): G49 D50 T51
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.6: endo-1,3(4)-beta-glucanase.

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0009251 glucan catabolic process

External links

• PDB: RCSB:2w52, PDBe:2w52, PDBj:2w52
• PDBsum: 2w52
• PubMed: 19769746
• UniProt: Q874E3