MolNFT v1 · #50017 · protein
Crystal structure of a bifunctional nmn ADENYLYLTRANSFERASE/ADP ribose pyrophosphatase from francisella tularensis
2R5W · Nicotinamide-nucleotide adenylyltransferase: “Crystal structure of a bifunctional nmn ADENYLYLTRANSFERASE/ADP ribose pyrophosphatase from francisella…”. X-ray diffraction, 2 ligands (MG, CL), 10 pockets (best druggability 0.72).…
- PDB
- 2R5W
- Type
- protein
- Length
- 689 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nicotinamide-nucleotide adenylyltransferase
- EC
- 2.7.7.1, 3.6.1.-
- UniProt
- Q5NHR1
- Ligands
- MG, CL
- Pockets
- 10 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Nicotinamide-nucleotide adenylyltransferase (EC 2.7.7.1, 3.6.1.-) | protein | 345 | 36% helix, 23% strand | Q5NHR1 |
| A | Nicotinamide-nucleotide adenylyltransferase (EC 2.7.7.1, 3.6.1.-) | protein | 344 | 35% helix, 23% strand | Q5NHR1 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 732 | 0.72 | 0.78 | 68 | empty |
| 2 | 707 | 0.71 | 0.78 | 68 | empty |
| 3 | 184 | 0.62 | 0.84 | 39 | MG, CL |
| 4 | 121 | 0.54 | 0.83 | 29 | MG, CL |
| 5 | 279 | 0.50 | 0.73 | 34 | empty |
Interfaces
1 interface between chains.
- B–A · 1038 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2R5W · Crystal structure of a bifunctional NMN adenylyltransferase/ADP ribose pyrophosphatase… · the same entry in another collection · chain B against B, 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 Q5NHR1
- Elsewhere: RCSB PDB 2R5W · PDBe 2R5W · UniProt Q5NHR1
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