Structure of PDB 6xqf Chain A Binding Site BS01

Receptor Information

>6xqf Chain A (length=258) Species: 77133 (uncultured bacterium)

TAPGNEPMAIPSDYKLVWADEFNTPGAPDAKKWRYDTSRNKEGWYNNELQ
YYAAGRPENVRVENGNLVIETRKERLTSMADYGGQEYSSGKLFTQGLADW
QYGYVEVRAKLACGKGMWPAIWMMASDGSTGWPALGSIDIMEMVAWDPTT
IHGTIHTKAYNHVIHTQKGSRTTAADPCGQFHTYSLDWTKDRMLIGVDGH
AYMRFDNDHKGNHDTWPFDSPQYLILNVAIGGWGGQQGVDAAAFPSKMEV
DYVRVYQK

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: 6xqf Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6xqf Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
• Resolution: 1.58 Å
• Binding residue (original residue number in PDB): W125 A127 W129 D146 E149 H163 H169
• Binding residue (residue number reindexed from 1): W118 A120 W122 D139 E142 H156 H162
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.39: glucan endo-1,3-beta-D-glucosidase.

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
• GO:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0042973 glucan endo-1,3-beta-D-glucosidase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:6xqf, PDBe:6xqf, PDBj:6xqf
• PDBsum: 6xqf
• PubMed: 33556371
• UniProt: A0A0B5H9B3