Structure of PDB 8xfr Chain A Binding Site BS10

Receptor Information
>8xfr Chain A (length=480) Species: 1328314 (Azotobacter chroococcum NCIMB 8003) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDFDVKDFGAKGDGKSDDTEAIQAAIDAAYEAGGGTVRLSAGEYRVSGGD
EASDGALMIKSNVYMDGAGMGETVIKLVDGWDQKLTGIIRSKNGEKTHDY
GIRDLTLDGNQDNTEGEVDGFYTGYIPREDGADYNVTAERVEIREVSRYG
FDPHEQTINLTIRDSVAHNNGKDGFVGDFQIDSTFENNVSHDNGRHGFNI
VTSSHDILLRDNVAYGNGANGLVVQRGSEDIAHPYNIQIEGGAYHDNGAE
GVLIKMTSNASLQGAEIYGNDAAGVRVRGVDGMQLLDNDIHDNAQGGGKA
EIVLEDYDDRDGVSGNYYETLNATVQGNRVAGAAQLLSSEGRDLLDGAAG
NDLLDGGAGRDTLSGGGGADTFRFADRQDSFRNYEGDTSRVDDIVDFTPG
ADLIDLSGLGYSGLGDGYNGTLALLLNEDGTKTYLKDRQADAQGNHFEIA
LDGNLVDSLSATDIAFDATQLELLGTTDLQ
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 chain8xfr Chain A Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8xfr Structural basis for the minimal bifunctional alginate epimerase AlgE3 from Azotobacter chroococcum.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Q111 T114
Binding residue
(residue number reindexed from 1)		Q111 T114
Annotation score1
Enzymatic activity
Enzyme Commision number 5.1.3.37: mannuronan 5-epimerase.
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0016829 lyase activity
GO:0016853 isomerase activity
GO:0046872 metal ion binding
Biological Process
GO:0042121 alginic acid biosynthetic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:8xfr, PDBe:8xfr, PDBj:8xfr
PDBsum8xfr
PubMed38649293
UniProtA0A0C4WKK2

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