Structure of PDB 5ocq Chain B Binding Site BS01

Receptor Information

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

MQPPIAKPGETWILQAKRSDEFNVKDATKWNFQTENYGVWSWKNENATVS
NGKLKLTTKRESHQRTFWDGCNQQQVANYPLYYTSGVAKSRATGNYGYYE
ARIKGASTFPGVSPAFWMYSTIDRSLTKEGDVQYSEIDVVDLTQKSAVRE
SDHDLHNIVVKNGKPTWMRPGSFPQTNHNGYHLPFDPRNDFHTYGVNVTK
DKITWYVDGEIVGEKDNLYWHRQMNLTLSQGLRAPHTQWKCNQFYPSANK
SAEGFPTSMEVDYVRTWVKVGNNNLEHHH

Ligand information

• Ligand ID: 9RN
• InChI: InChI=1S/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6+/m1/s1
• InChIKey: DCQFFOLNJVGHLW-RDQKPOQOSA-N
• SMILES:
  CACTVS 3.385: O[C@H]1O[C@@H]2CO[C@H]([C@H]1O)[C@H]2O
  ACDLabs 12.01: OC1OC2COC(C2O)C1O
  OpenEye OEToolkits 2.0.7: C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)O)O
  OpenEye OEToolkits 2.0.7: C1C2C(C(O1)C(C(O2)O)O)O
  CACTVS 3.385: O[CH]1O[CH]2CO[CH]([CH]1O)[CH]2O
• Formula: C6 H10 O5
• Name: 3,6-anhydro-alpha-D-galactopyranose
• PDB chain: 5ocq Chain B Residue 401

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): W95 Q102 R151
• Binding residue (residue number reindexed from 1): W68 Q75 R124
• 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)