Structure of PDB 7k44 Chain A Binding Site BS01

Receptor Information
>7k44 Chain A (length=356) Species: 411479 (Bacteroides uniformis ATCC 8492) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAPYITRVATTFPVETGTPLRIVGGNFYEIQRVYFTTAVDDITNAPVSVE
VTDYTVNKNFDEISFNAPAGLIDEGSLVVECYTASAFTPFRRTALPPSIS
KVSSMMPITGTTVTVLGQNFMDIVSITMGNRSVDLSTVTVSEANDMLTFT
MPRAPQGTCSLAITTMGGTAEVPGFYPLENIVLNYDNIGWFSWGGQAVPV
TADGTAAPFFSDGKCYSISGELSAWNYWWGQLQNGAVWGIDTAFLPTDTP
TSELALQFECFVAVEYGEGPVFRIYLKGNEAHNYTNYRPVSDFTGKTEVG
QWMQCSIPLSELVDETTWGEFQKRDGDELALQMTNPSENGPYNIEMYFDN
FRVVKI
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 chain7k44 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7k44 Cell Surface Xyloglucan Recognition and Hydrolysis by the Human Gut Commensal Bacteroides uniformis.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		N189 D191 D217 K219 D354
Binding residue
(residue number reindexed from 1)		N184 D186 D212 K214 D349
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030247 polysaccharide binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7k44, PDBe:7k44, PDBj:7k44
PDBsum7k44
PubMed34731054
UniProtA7V885

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