Structure of PDB 5jug Chain A Binding Site BS02

Receptor Information

>5jug Chain A (length=168) Species: 1415550 (Streptomyces sp. NRRL B-16215)

SACPSGATCGSYTVGGLGSRKQQVRNAGGSSLDLAVAMLQTERMDTAYPY
GDNKSGDAANFGIFKQNWLMLRSACAQFGGQGAGQYDNGAALNSSLGQDV
SCLHQSQSHYGLDAWFAGHRNGASGLSSPNTADIAAYKAAVYWIKAQLDA
DSANLGNDTRFWVQVPAI

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: 5jug Chain B Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5jug A beta-Mannanase with a Lysozyme-like Fold and a Novel Molecular Catalytic Mechanism.
• Resolution: 0.96 Å
• Binding residue (original residue number in PDB): Q45 K70 R125 V170 P171
• Binding residue (residue number reindexed from 1): Q40 K65 R120 V165 P166
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.78: mannan endo-1,4-beta-mannosidase.

Gene Ontology

Molecular Function

• GO:0016985 mannan endo-1,4-beta-mannosidase activity

External links

• PDB: RCSB:5jug, PDBe:5jug, PDBj:5jug
• PDBsum: 5jug
• PubMed: 28058278
• UniProt: A0A1L1QK16