MolNFT v1 · #118447 · protein
Crystal structure of NH(3)-dependent NAD(+) synthetase pseudomonas aeruginosa in complex with NAD
5F23: “Crystal structure of NH(3)-dependent NAD(+) synthetase pseudomonas aeruginosa in complex with NAD”. X-ray diffraction, 1 ligand (NAD), 3 pockets (best druggability 0.60). MolNFT v1 #118447 on GenesisL1: 3D structure, binding sites…
- PDB
- 5F23
- Type
- protein
- Length
- 263 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NH(3)-dependent NAD(+) synthetase
- EC
- 6.3.1.5
- UniProt
- Q9HUP3
- Ligands
- NAD
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 59% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NH(3)-dependent NAD(+) synthetase (EC 6.3.1.5) | protein | 263 | 59% helix, 8% strand | Q9HUP3 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 312 | 0.60 | 0.78 | 43 | MES |
| 2 | 115 | 0.40 | 0.75 | 24 | empty |
| 3 | 91 | 0.36 | 0.75 | 15 | empty |
Compared structures
- 5F23 · Crystal structure of NH(3)-dependent NAD(+) synthetase Pseudomonas aeruginosa in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9HUP3 · AlphaFold monomer V2.0 prediction for NH(3)-dependent NAD(+) synthetase (Q9HUP3) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q9HUP3
- Elsewhere: RCSB PDB 5F23 · PDBe 5F23 · UniProt Q9HUP3
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