MolNFT v1 · #123938 · protein
The natb acetyltransferase complex bound to CoA and mes
5K04 · Uncharacterized protein: “The natb acetyltransferase complex bound to CoA and mes”. X-ray diffraction, 1 ligand (COA), 10 pockets (best druggability 0.78). MolNFT v1 #123938 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5K04
- Type
- protein
- Length
- 885 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein; N-terminal acetyltransferase B complex subunit NAT3
- UniProt
- C4YFL7, C4YDZ9
- Ligands
- COA
- Pockets
- 10 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 64% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 732 | 70% helix, 1% strand | C4YFL7 |
| B | N-terminal acetyltransferase B complex subunit NAT3 | protein | 153 | 33% helix, 35% strand | C4YDZ9 |
Ligands and binding sites
- COA · Coenzyme A · ligand · chains A, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 979 | 0.78 | 0.80 | 85 | MES, COA |
| 2 | 203 | 0.76 | 0.91 | 39 | empty |
| 3 | 352 | 0.67 | 0.81 | 41 | empty |
| 4 | 318 | 0.59 | 0.77 | 38 | empty |
| 5 | 221 | 0.58 | 0.79 | 43 | empty |
Interfaces
1 interface between chains.
- A–B · 2584 Ų buried · 41 hydrogen bonds · protein-protein
Compared structures
- 5K04 · The NatB Acetyltransferase Complex Bound To CoA and MES · 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 C4YFL7
- Every structure of UniProt C4YDZ9
- Elsewhere: RCSB PDB 5K04 · PDBe 5K04 · UniProt C4YFL7 · UniProt C4YDZ9
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