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Crystal structure of A.FULGIDUS RIO2 kinase complexed with ADP and manganese ions

Analyse Crystal structure of A.FULGIDUS RIO2 kinase complexed with ADP and manganese… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1ZAR
Type
protein
Length
267 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RIO2 kinase
UniProt
O30245
Ligands
ADP, MN
Pockets
3 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARIO2 kinaseprotein26745% helix, 22% strandO30245

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • MN · Manganese (II) ion · metal · chains A
  • EDO · 1,2-ethanediol · additive · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12890.620.8035MN, ADP
2560.340.7712empty
3580.270.7311empty

Compared structures

  • 1ZAR · Crystal Structure of A.fulgidus Rio2 Kinase Complexed With ADP and Manganese Ions · the same entry in another collection · chain A against A, TM-score 1.00
  • O30245 · AlphaFold monomer V2.0 prediction for rio-type SERINE/THREONINE- protein kinase RIO2… · a predicted model of the same protein · chain A against A, TM-score 0.99

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