Research workbench
Structure of a R132K variant pduo-type ATP:CO(I)RRINOID adenosyltransferase from lactobacillus reuteri complexed with ATP
Analyse Structure of a R132K variant pduo-type ATP:CO(I)RRINOID adenosyltransferase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2R6T
- Type
- protein
- Length
- 352 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cobalamin adenosyltransferase pduo-like protein
- UniProt
- Q50EJ2
- Ligands
- ATP, MG
- Pockets
- 1 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 60% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cobalamin adenosyltransferase pduo-like protein | protein | 177 | 60% helix, 6% strand | Q50EJ2 |
| B | Cobalamin adenosyltransferase pduo-like protein | protein | 175 | 60% helix, 5% strand | Q50EJ2 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 173 | 0.47 | 0.76 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 399 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2R6T · Structure of a R132K variant PduO-type ATP:co(I)rrinoid adenosyltransferase from… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q50EJ2
- Elsewhere: RCSB PDB 2R6T · PDBe 2R6T · UniProt Q50EJ2
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