Structure of PDB 2ml2 Chain A Binding Site BS01

Receptor Information
>2ml2 Chain A (length=161) Species: 354 (Azotobacter vinelandii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPSAEAQPIVGSDLDDQLHGTLLGEEISGGGGADQLYGYGGGDLLDGGAG
RDRLTGGEGADTFRFALREDSQRSAAGTFSDLILDFDPTQDKLDVSALGF
TGLGNGYAGTLAVSVSDDGTRTYLKSYETDAEGRSFEVSLQGNHAAALSA
DNILFATPVPV
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 chain2ml2 Chain A Residue 201 [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]
PDB2ml2 Structural and Functional Characterization of the R-modules in Alginate C-5 Epimerases AlgE4 and AlgE6 from Azotobacter vinelandii
ResolutionN/A
Binding residue
(original residue number in PDB)		S12 D13 L14 D16 G29 G31 D34
Binding residue
(residue number reindexed from 1)		S12 D13 L14 D16 G29 G31 D34
Annotation score1
Enzymatic activity
Enzyme Commision number 5.1.3.37: mannuronan 5-epimerase.
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
Cellular Component
GO:0005615 extracellular space

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:2ml2, PDBe:2ml2, PDBj:2ml2
PDBsum2ml2
PubMed25266718
UniProtQ9ZFH0|ALGE6_AZOVI Mannuronan C5-epimerase AlgE6 (Gene Name=algE6)

[Back to BioLiP]