Structure of PDB 8xfq Chain A Binding Site BS03

Receptor Information
>8xfq 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 IDBEM
InChIInChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3-,4-,6+/m0/s1
InChIKeyAEMOLEFTQBMNLQ-SYJWYVCOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O)C(=O)O)O)O
OpenEye OEToolkits 1.5.0C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.341O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
ACDLabs 10.04O=C(O)C1OC(O)C(O)C(O)C1O
CACTVS 3.341O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O
FormulaC6 H10 O7
Namebeta-D-mannopyranuronic acid;
beta-D-mannuronic acid;
D-mannuronic acid;
mannuronic acid;
(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000004095780
PDB chain8xfq Chain B Residue 3 [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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PDB8xfq Structural basis for the minimal bifunctional alginate epimerase AlgE3 from Azotobacter chroococcum.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		Y122 R128 H154
Binding residue
(residue number reindexed from 1)		Y122 R128 H154
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
View graph for
Biological Process
External links
PDB RCSB:8xfq, PDBe:8xfq, PDBj:8xfq
PDBsum8xfq
PubMed38649293
UniProtA0A0C4WKK2

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