Structure of PDB 6m6p Chain A Binding Site BS01

Receptor Information

>6m6p Chain A (length=231) Species: 1872586 (Aquimarina sp.)

NWTLVWQDEFTNGISSDWVFETGNGNSGWGNNELQYYRRENATVENGNLV
ITAKRESIGGYNYTSTRMKTQGRKSWKYGKVEARIAMPSFMGSWPAFWML
GDNISSVGWPACGAIDIMEHVNTEAQTHGTIHWQDHNNTYANYSGSIPVS
SVTSYHIYTIEWDASVIKWFVDGNLYHEASIANGVNGTSEFHNNFFILLN
MAIGGNWPGFNIDNNAFPARMLVDYVRVYQK

Ligand information

• Ligand ID: GLC
• 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-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](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
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-glucopyranose;
  alpha-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL423707
• ZINC: ZINC000003861213
• PDB chain: 6m6p Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6m6p Molecular Basis for Substrate Recognition and Catalysis by a Marine Bacterial Laminarinase.
• Resolution: 2.27 Å
• Binding residue (original residue number in PDB): N52 W115 A117 W119 D137 E140 H153
• Binding residue (residue number reindexed from 1): N31 W94 A96 W98 D116 E119 H132
• Annotation score: 4

Gene Ontology

Molecular Function

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

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:6m6p, PDBe:6m6p, PDBj:6m6p
• PDBsum: 6m6p
• PubMed: 32917756
• UniProt: A0A6F9D674