Structure of PDB 5n5p Chain B Binding Site BS02

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 802 [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)		D689 F691 D707 D712
Binding residue
(residue number reindexed from 1)		D46 F48 D64 D69
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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