Structure of PDB 8ajy Chain A Binding Site BS01

Receptor Information
>8ajy Chain A (length=202) Species: 641112 (Ruminococcus flavefaciens FD-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLTDRGMTYDLDPKDGSSAATKPVLEVTKKVFDTAADAAGQTVTVEFKVS
GAEGKYATTGYHIYWDERLEVVATKTGAYAKKGAALEDSSLAKAENNGNG
VFVASGADDDFGADGVMWTVELKVPADAKAGDVYPIDVAYQWDPSKGDLF
TDNKDSAQGKLMQAYFFTQGIKSSSNPSTDEYLVKANATYADGYIAIKAG
EP
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 chain8ajy Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8ajy Structure-function studies can improve binding affinity of cohesin-dockerin interactions for multi-protein assemblies.
Resolution1.71 Å
Binding residue
(original residue number in PDB)		D137 V138 K172 Y190 D192
Binding residue
(residue number reindexed from 1)		D137 V138 K172 Y190 D192
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:8ajy, PDBe:8ajy, PDBj:8ajy
PDBsum8ajy
PubMed36252630
UniProtA0AEF6

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