MolNFT v1 · #29509 · protein
Crystal structure of A.FULGIDUS RIO2 kinase complexed with ADP and manganese ions
1ZAR: “Crystal structure of A.FULGIDUS RIO2 kinase complexed with ADP and manganese ions”. X-ray diffraction, 2 ligands (ADP, MN), 3 pockets (best druggability 0.62). MolNFT v1 #29509 on GenesisL1: 3D structure, binding sites and pockets…
- 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).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | RIO2 kinase | protein | 267 | 45% helix, 22% strand | O30245 |
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 289 | 0.62 | 0.80 | 35 | MN, ADP |
| 2 | 56 | 0.34 | 0.77 | 12 | empty |
| 3 | 58 | 0.27 | 0.73 | 11 | empty |
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
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt O30245
- Elsewhere: RCSB PDB 1ZAR · PDBe 1ZAR · UniProt O30245
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