Structure of PDB 5ocq Chain B Binding Site BS04

Receptor Information
>5ocq Chain B (length=279) Species: 227 (Pseudoalteromonas carrageenovora) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQPPIAKPGETWILQAKRSDEFNVKDATKWNFQTENYGVWSWKNENATVS
NGKLKLTTKRESHQRTFWDGCNQQQVANYPLYYTSGVAKSRATGNYGYYE
ARIKGASTFPGVSPAFWMYSTIDRSLTKEGDVQYSEIDVVDLTQKSAVRE
SDHDLHNIVVKNGKPTWMRPGSFPQTNHNGYHLPFDPRNDFHTYGVNVTK
DKITWYVDGEIVGEKDNLYWHRQMNLTLSQGLRAPHTQWKCNQFYPSANK
SAEGFPTSMEVDYVRTWVKVGNNNLEHHH
Ligand information
Ligand IDG4S
InChIInChI=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
InChIKeyLOTQRUGOUKUSEY-DGPNFKTASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)OS(=O)(=O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O)=O
ACDLabs 10.04O=S(=O)(O)OC1C(OC(O)C(O)C1O)CO
OpenEye OEToolkits 1.5.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)OS(=O)(=O)O)O
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[S](O)(=O)=O
FormulaC6 H12 O9 S
Name4-O-sulfo-beta-D-galactopyranose;
4-O-sulfo-beta-D-galactose;
4-O-sulfo-D-galactose;
4-O-sulfo-galactose
ChEMBL
DrugBankDB02837
ZINCZINC000005829864
PDB chain5ocq Chain B Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ocq Structural insights into marine carbohydrate degradation by family GH16 kappa-carrageenases.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		W67 A142 W144 E163 D165 D168 H183 R260
Binding residue
(residue number reindexed from 1)		W40 A115 W117 E136 D138 D141 H156 R233
Annotation score1
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5ocq, PDBe:5ocq, PDBj:5ocq
PDBsum5ocq
PubMed29030427
UniProtP43478|CGKA_PSEVC Kappa-carrageenase (Gene Name=cgkA)

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