MolNFT v1 · #102501 · protein
Camp-binding acyltransferase from mycobacterium smegmatis, E234A mutant
4ONU · Acetyltransferase pat: “Camp-binding acyltransferase from mycobacterium smegmatis, E234A mutant”. X-ray diffraction, 1 ligand (CA), 4 pockets (best druggability 0.68). MolNFT v1 #102501 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4ONU
- Type
- protein
- Length
- 314 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetyltransferase pat
- EC
- 2.3.1.-
- UniProt
- A0R3F9
- Ligands
- CA
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetyltransferase pat (EC 2.3.1.-) | protein | 314 | 35% helix, 26% strand | A0R3F9 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 357 | 0.68 | 0.81 | 34 | empty |
| 2 | 215 | 0.48 | 0.75 | 36 | empty |
| 3 | 81 | 0.36 | 0.76 | 18 | empty |
| 4 | 63 | 0.34 | 0.77 | 15 | empty |
Compared structures
- 4ONU · cAMP-binding acyltransferase from Mycobacterium smegmatis, E234A mutant · the same entry in another collection · chain A against A, TM-score 1.00
- A0R3F9 · AlphaFold monomer V2.0 prediction for acetyltransferase pat (A0R3F9) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 A0R3F9
- Elsewhere: RCSB PDB 4ONU · PDBe 4ONU · UniProt A0R3F9
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