Structure of PDB 2w39 Chain A Binding Site BS02

Receptor Information

>2w39 Chain A (length=298)

ATYHLEDNWVGSAFLSTFTHEAIADPTHGRVNYVDQATALAKNLTYASGD
TLILRADHTTTLSPSGPGRNSVRIRSIKTYTTHVAVFDVRHMPQGCGTWP
AAWETDEGDWPNGGEVDIIEGVNDQSPNAMTLHTGANCAMPASRTMTGHA
TNNNCDVNTDGNTGCGVQAPTANSYGPSFNANGGGWYAMERTNSFIKVWF
FPRNAGNVPNDIASGPATINTDNWGTPTAFFPNTNCDIGSHFDANNIIIN
LTFCGDWAGQASIFNGAGCPGSCVDYVNNNPSAFANAYWDIASVRVYQ

Ligand information

• Ligand ID: LGC
• InChI: InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1
• InChIKey: PHOQVHQSTUBQQK-SQOUGZDYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O
  CACTVS 3.341: OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O
  CACTVS 3.341: OC[CH]1OC(=O)[CH](O)[CH](O)[CH]1O
  ACDLabs 10.04: O=C1OC(CO)C(O)C(O)C1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(=O)O1)O)O)O)O
• Formula: C6 H10 O6
• Name: D-glucono-1,5-lactone;
  (3S,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-ONE;
  GLUCONOLACTONE
• ChEMBL: CHEMBL1200829
• DrugBank: DB04564
• ZINC: ZINC000002539702
• PDB chain: 2w39 Chain A Residue 1301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2w39 X-Ray Crystal Structures of Phanerochaete Chrysosporium Laminarinase 16A in Complex with Products from Lichenin and Laminarin Hydrolysis
• Resolution: 1.1 Å
• Binding residue (original residue number in PDB): T27 W99 A101 W103 E115 D117 E120 H133
• Binding residue (residue number reindexed from 1): T27 W99 A101 W103 E115 D117 E120 H133
• Annotation score: 1

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:2w39, PDBe:2w39, PDBj:2w39
• PDBsum: 2w39
• PubMed: 19769746
• UniProt: Q874E3