Structure of PDB 8jaz Chain B Binding Site BS02

Receptor Information
>8jaz Chain B (length=479) 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
LDGNLVDSLSATDIAFDATQLELLGTTDL
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 chain8jaz Chain C Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8jaz Structural basis for the minimal bifunctional alginate epimerase AlgE3 from Azotobacter chroococcum.
Resolution1.82 Å
Binding residue
(original residue number in PDB)		R195 H196 Q225 G227 X255
Binding residue
(residue number reindexed from 1)		R195 H196 Q225 G227 X255
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:8jaz, PDBe:8jaz, PDBj:8jaz
PDBsum8jaz
PubMed38649293
UniProtA0A0C4WKK2

[Back to BioLiP]