Structure of PDB 5ocq Chain B Binding Site BS02

Receptor Information

>5ocq Chain B (length=279) Species: 227 (Pseudoalteromonas carrageenovora)

MQPPIAKPGETWILQAKRSDEFNVKDATKWNFQTENYGVWSWKNENATVS
NGKLKLTTKRESHQRTFWDGCNQQQVANYPLYYTSGVAKSRATGNYGYYE
ARIKGASTFPGVSPAFWMYSTIDRSLTKEGDVQYSEIDVVDLTQKSAVRE
SDHDLHNIVVKNGKPTWMRPGSFPQTNHNGYHLPFDPRNDFHTYGVNVTK
DKITWYVDGEIVGEKDNLYWHRQMNLTLSQGLRAPHTQWKCNQFYPSANK
SAEGFPTSMEVDYVRTWVKVGNNNLEHHH

Ligand information

• Ligand ID: G4S
• InChI: InChI=1S/C6H12O9S/c7-1-2-5(15-16(11,12)13)3(8)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4-,5+,6-/m1/s1
• InChIKey: LOTQRUGOUKUSEY-DGPNFKTASA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)OS(=O)(=O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O)=O
  ACDLabs 10.04: O=S(=O)(O)OC1C(OC(O)C(O)C1O)CO
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)OS(=O)(=O)O)O
  CACTVS 3.341: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[S](O)(=O)=O
• Formula: C6 H12 O9 S
• Name: 4-O-sulfo-beta-D-galactopyranose;
  4-O-sulfo-beta-D-galactose;
  4-O-sulfo-D-galactose;
  4-O-sulfo-galactose
• DrugBank: DB02837
• ZINC: ZINC000005829864
• PDB chain: 5ocq Chain B Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ocq Structural insights into marine carbohydrate degradation by family GH16 kappa-carrageenases.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): R151 W194 N269
• Binding residue (residue number reindexed from 1): R124 W167 N242
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.2.1.83: kappa-carrageenase.

Gene Ontology

Molecular Function

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

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:5ocq, PDBe:5ocq, PDBj:5ocq
• PDBsum: 5ocq
• PubMed: 29030427
• UniProt: P43478|CGKA_PSEVC Kappa-carrageenase (Gene Name=cgkA)