MolNFT v1 · #72160 · protein
Crystal structure of NH3-dependent NAD+ synthetase from streptomyces avermitilis
3N05 · NH(3)-dependent NAD(+) synthetase: “Crystal structure of NH3-dependent NAD+ synthetase from streptomyces avermitilis”. X-ray diffraction, 1 ligand (SO4), 17 pockets (best druggability 0.87). MolNFT v1 #72160 on GenesisL1: 3D…
- PDB
- 3N05
- Type
- protein
- Length
- 1,131 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NH(3)-dependent NAD(+) synthetase
- UniProt
- Q82AV7
- Ligands
- SO4
- Pockets
- 17 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NH(3)-dependent NAD(+) synthetase | protein | 568 | 38% helix, 20% strand | Q82AV7 |
| B | NH(3)-dependent NAD(+) synthetase | protein | 563 | 38% helix, 20% strand | Q82AV7 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 632 | 0.87 | 0.92 | 91 | empty |
| 2 | 1124 | 0.83 | 0.84 | 111 | empty |
| 3 | 245 | 0.80 | 0.93 | 40 | empty |
| 4 | 139 | 0.73 | 0.92 | 22 | empty |
| 5 | 80 | 0.57 | 0.88 | 18 | SO4 |
Interfaces
1 interface between chains.
- A–B · 3275 Ų buried · 60 hydrogen bonds · protein-protein
Compared structures
- 3N05 · Crystal structure of NH3-dependent NAD+ synthetase from streptomyces avermitilis · 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 Q82AV7
- Elsewhere: RCSB PDB 3N05 · PDBe 3N05 · UniProt Q82AV7
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