Structure of PDB 7v1w Chain C Binding Site BS01

Receptor Information
>7v1w Chain C (length=447) Species: 1689 (Bifidobacterium dentium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EITGLFKDLTKVKHARNGRLASWDQRGKNQDYWEIPAGESITLGEIEGPG
CITHMWMTSSCRKVVAPSILDPELNASAAPVMEIHPALGVIWDAYDPFYY
RKALIKITWDDQDTPSVLVPFGDFFCIGNSYPGNFSSLPFNVSLKPEEAG
KFGAPCSVSCYFPMPFNKKAKIEIVNDNELPFILYFNIDYEMYGEPLPED
TAYFHAAWHRENPCNGWGPELQVNSPEVNNVTNFKGENNYTVLDVEGTGH
YVGCNLTVKHFQGSWWGEGNDMFFIDGEEYPSLNGTGTEDYFNHAWGMQR
NAYPFFGTIVHEGDTDGFQVSYRWHITDPVRFEKHLKVTIEHGHANQLSD
DWSSTAYWYQILPTASRITIAPVEDRLPVVPQLPERKLVLPQLTEEQQAA
RDTYQKRWKDYEPRRDTQFRIKEDKARRESKLNTEFAKKLRDAFDAE
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 chain7v1w Chain A Residue 601 [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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PDB7v1w Identification of difructose dianhydride I synthase/hydrolase from an oral bacterium establishes a novel glycoside hydrolase family.
Resolution1.86 Å
Binding residue
(original residue number in PDB)		N31 D33
Binding residue
(residue number reindexed from 1)		N29 D31
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7v1w, PDBe:7v1w, PDBj:7v1w
PDBsum7v1w
PubMed34688653
UniProtA0A6L9SN29

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