Research workbench
Crystal structure of putative acetyltransferase (YP_831484.1) from arthrobacter sp. FB24 at 1.65 a resolution
Analyse Crystal structure of putative acetyltransferase (YP_831484.1) from arthrobacter… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2R1I
- Type
- protein
- Length
- 312 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GCN5-related N-acetyltransferase
- UniProt
- A0JWG4
- Ligands
- CL
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | GCN5-related N-acetyltransferase | protein | 156 | 37% helix, 25% strand | A0JWG4 |
Ligands and binding sites
- CL · Chloride ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 7 copies · chains A, B
- GOL · Glycerol · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 673 | 0.70 | 0.77 | 47 | GOL |
| 2 | 677 | 0.68 | 0.76 | 41 | GOL |
Interfaces
1 interface between chains.
- A–B · 2857 Ų buried · 48 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 2R1I · Crystal structure of putative acetyltransferase (YP_831484.1) from Arthrobacter sp. FB24… · 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 A0JWG4
- Elsewhere: RCSB PDB 2R1I · PDBe 2R1I · UniProt A0JWG4
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