Structure of PDB 4y7e Chain A Binding Site BS02

Receptor Information

>4y7e Chain A (length=302) Species: 285540 (Streptomyces thermolilacinus)

VTGLHVQGGRLLEGNGNDFVMRGVNHAHTWYPGQTRSLADIKALGANTVR
VVLSDGHRWTRNGPADVAAVIDRCKANRLICVLEVHDTTGYGEEPAAGTL
DHAADYWISLMDVLAGQEDYVIVNIGNEPWGNTDPAGWTAPTIAAVKKLR
AAGLAHTLMIDAPNWGQDWQGVMRADARSVYEADPTGNLLFSIHMYSVFD
TAAEIDDYLEAFVDAGLPLVIGAFGGPPDQWGDPDEDTMLAAAERLRLGY
LAWSWSGNTDPVLDLAIGFDPDRLSGWGQRVFHGVHGIGETSREATVFGK
LA

Ligand information

• Ligand ID: BMA
• 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-RWOPYEJCSA-N
• SMILES:
  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(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]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: beta-D-mannopyranose;
  beta-D-mannose;
  D-mannose;
  mannose
• ZINC: ZINC000003830679
• PDB chain: 4y7e Chain C Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4y7e The loop structure of Actinomycete glycoside hydrolase family 5 mannanases governs substrate recognition
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): E178 W215 Q217 Y246
• Binding residue (residue number reindexed from 1): E128 W165 Q167 Y196
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): R100 N177 E178 H244 Y246 A273 W303
• Catalytic site (residue number reindexed from 1): R50 N127 E128 H194 Y196 A223 W253
• Enzyme Commision number: 3.2.1.4: cellulase.

Gene Ontology

Molecular Function

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

Biological Process

• GO:0000272 polysaccharide catabolic process

External links

• PDB: RCSB:4y7e, PDBe:4y7e, PDBj:4y7e
• PDBsum: 4y7e
• PubMed: 26257335
• UniProt: F5HR99