Research workbench
Crystal structure of protein lysine acetyltransferase RV0998 in complex with acetyl CoA and camp
Analyse Crystal structure of protein lysine acetyltransferase RV0998 in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4AVB
- Type
- protein
- Length
- 648 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lysine acetyltransferase
- UniProt
- O05581
- Ligands
- CMP, ACO
- Pockets
- 11 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Lysine acetyltransferase | protein | 324 | 34% helix, 27% strand | O05581 |
Ligands and binding sites
- CMP · Adenosine-3',5'-cyclic-monophosphate · ligand · 2 copies · chains A, B
- ACO · Acetyl coenzyme *A · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 8 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 5 copies · chains A, B
- ACT · Acetate ion · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 164 | 0.70 | 0.88 | 24 | empty |
| 2 | 759 | 0.68 | 0.76 | 89 | EDO |
| 3 | 349 | 0.68 | 0.81 | 44 | PEG, ACT, ACO |
| 4 | 157 | 0.67 | 0.87 | 25 | empty |
| 5 | 256 | 0.67 | 0.84 | 35 | ACO |
Interfaces
1 interface between chains.
- A–B · 437 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4AVB · Crystal structure of protein lysine acetyltransferase Rv0998 in complex with acetyl CoA… · the same entry in another collection · chain A against A, TM-score 1.00
- O05581 · AlphaFold monomer V2.0 prediction for acetyltransferase pat (O05581) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 O05581
- Elsewhere: RCSB PDB 4AVB · PDBe 4AVB · UniProt O05581
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