MolNFT v1 · #5471 · protein
Crystal structure of methanobacterium thermoautotrophicum nicotinamide mononucleotide adenylyltransferase with bound NAD+
1EJ2: “Crystal structure of methanobacterium thermoautotrophicum nicotinamide mononucleotide adenylyltransferase…”. X-ray diffraction, 3 ligands (NAD, NA, SO4), 1 pocket (best druggability 0.65). MolNFT v1 #5471 on GenesisL1: 3D structure…
- PDB
- 1EJ2
- Type
- protein
- Length
- 167 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nicotinamide mononucleotide adenylyltransferase
- EC
- 2.7.7.1
- UniProt
- O26253
- Ligands
- NAD, NA, SO4
- Pockets
- 1 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nicotinamide mononucleotide adenylyltransferase (EC 2.7.7.1) | protein | 167 | 46% helix, 13% strand | O26253 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · chains A
- NA · Sodium ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 371 | 0.65 | 0.79 | 39 | SO4, NA, NAD |
Compared structures
- 1EJ2 · Crystal structure of methanobacterium thermoautotrophicum nicotinamide mononucleotide… · the same entry in another collection · chain A against A, TM-score 1.00
- O26253 · AlphaFold monomer V2.0 prediction for nicotinamide-nucleotide adenylyltransferase (O26253) · 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 O26253
- Elsewhere: RCSB PDB 1EJ2 · PDBe 1EJ2 · UniProt O26253
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