MolNFT v1 · #109357 · protein
Structure of M. tuberculosis nicotinate mono nucleotide adenylyltransferase
4X0E · Probable nicotinate-nucleotide adenylyltransferase: “Structure of M. tuberculosis nicotinate mono nucleotide adenylyltransferase”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.70). MolNFT v1 #109357 on…
- PDB
- 4X0E
- Type
- protein
- Length
- 369 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable nicotinate-nucleotide adenylyltransferase
- EC
- 2.7.7.18
- UniProt
- P9WJJ5
- Ligands
- SO4
- Pockets
- 8 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable nicotinate-nucleotide adenylyltransferase (EC 2.7.7.18) | protein | 192 | 42% helix, 18% strand | P9WJJ5 |
| B | Probable nicotinate-nucleotide adenylyltransferase (EC 2.7.7.18) | protein | 177 | 46% helix, 21% strand | P9WJJ5 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 360 | 0.70 | 0.83 | 42 | SO4 |
| 2 | 438 | 0.67 | 0.79 | 48 | empty |
| 3 | 52 | 0.46 | 0.84 | 12 | empty |
| 4 | 50 | 0.45 | 0.84 | 16 | empty |
| 5 | 59 | 0.44 | 0.83 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 935 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4X0E · Structure of M. tuberculosis nicotinate mono nucleotide adenylyltransferase · the same entry in another collection · chain A against A, TM-score 1.00
- P9WJJ5 · AlphaFold monomer V2.0 prediction for probable nicotinate-nucleotide adenylyltransferase… · a predicted model of the same protein · chain B against A, TM-score 0.95
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 P9WJJ5
- Elsewhere: RCSB PDB 4X0E · PDBe 4X0E · UniProt P9WJJ5
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