Structure of PDB 5o2x Chain A Binding Site BS09

Receptor Information

>5o2x Chain A (length=248) Species: 431241 (Trichoderma reesei QM6a)

HGHINDIVINGVWYQAYDPTTFPYESNPPIVVGWTAADLDNGFVSPDAYQ
NPDIICHKNATNAKGHASVKAGDTILFQWVPVPWPHPGPIVDYLANCNGD
CETVDKTTLEFFKIDGVGLLSGGDPGTWASDVLISNNNTWVVKIPDNLAP
GNYVLRHEIIALHSAGQANGAQNYPQCFNIAVSGSGSLQPSGVLGTDLYH
ATDPGVLINIYTSPLNYIIPGPTVVSGLPTSVAQGSSAATATASATVP

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: 5o2x Chain A Residue 315

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5o2x High-resolution structure of a lytic polysaccharide monooxygenase from Hypocrea jecorina reveals a predicted linker as an integral part of the catalytic domain.
• Resolution: 0.95 Å
• Binding residue (original residue number in PDB): W13 T242
• Binding residue (residue number reindexed from 1): W13 T242
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.4: cellulase.

External links

• PDB: RCSB:5o2x, PDBe:5o2x, PDBj:5o2x
• PDBsum: 5o2x
• PubMed: 28900033
• UniProt: G0R6T8|LP9A_HYPJQ AA9 family lytic polysaccharide monooxygenase cel61A (Gene Name=LPMO9A)