Structure of PDB 5n5p Chain B Binding Site BS01

Receptor Information
>5n5p Chain B (length=87) Species: 641112 (Ruminococcus flavefaciens FD-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMASKPVWGDVNCDGDVNVADVVLLNKWLNNNADYAMTDQGKVNADCFNP
QDANGGAVDASKVDLTKTDSDAIIKSVVHLITLPAKG
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5n5p Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5n5p Higher order scaffoldin assembly in Ruminococcus flavefaciens cellulosome is coordinated by a discrete cohesin-dockerin interaction.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		D653 N655 D657 D659 D664
Binding residue
(residue number reindexed from 1)		D10 N12 D14 D16 D21
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0000272 polysaccharide catabolic process

View graph for
Biological Process
External links
PDB RCSB:5n5p, PDBe:5n5p, PDBj:5n5p
PDBsum5n5p
PubMed29725056
UniProtA0AEF3

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