Structure of PDB 9int Chain A Binding Site BS01

Receptor Information

>9int Chain A (length=282) Species: 1790137 (Wenyingzhuangia fucanilytica)

EPNPAYPLSDQSNEGDWVLNTEMSDEFELPLDEDKWLIQGRNNEYQSRFI
GRAPSQFSVNNAYTESGKLKIVTKWEPDYDFRLKFNGDDHDVVNGEKIYF
ENITTAAVISKKQFRYGYMEIKCKSANAPITSSFWTTGKNTSEMDMFEMF
GGHKTNDSWRKRLKFNIISWDPNNPNYFNKINGPVFTQNIQVGNNTAGDF
HVYGFDWTADYIKVYYDGVLLPEYTILKSELTNNNTNPDKWVTDSDYWIW
FDSETFPWLGIPKEEDLPAEYQIEYLRVWQKN

Ligand information

• Ligand ID: GAL
• 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-FPRJBGLDSA-N
• SMILES:
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
  OpenEye OEToolkits 1.7.2: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
  OpenEye OEToolkits 1.7.2: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
• Formula: C6 H12 O6
• Name: beta-D-galactopyranose;
  beta-D-galactose;
  D-galactose;
  galactose
• ChEMBL: CHEMBL300520
• ZINC: ZINC000002597049
• PDB chain: 9int Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 9int Structural insights into the substrate recognition and catalytic mechanism of a beta,kappa-carrageenase from Wenyingzhuangia fucanilytica
• Resolution: 1.56 Å
• Binding residue (original residue number in PDB): R88 W171 E179 D181 E184 I204 E290 F292
• Binding residue (residue number reindexed from 1): R52 W135 E143 D145 E148 I168 E254 F256
• 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:9int, PDBe:9int, PDBj:9int
• PDBsum: 9int
• PubMed: 39214858
• UniProt: A0A1B1Y771