Research workbench
Crystal structure of nicotinate mononucleotide adenylyltransferase
Analyse Crystal structure of nicotinate mononucleotide adenylyltransferase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2QTN
- Type
- protein
- Length
- 378 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nicotinate (nicotinamide) nucleotide adenylyltransferase
- EC
- 2.7.7.18
- UniProt
- Q6HT60
- Ligands
- NCN, MG
- Pockets
- 7 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Nicotinate (nicotinamide) nucleotide adenylyltransferase (EC 2.7.7.18) | protein | 189 | 36% helix, 19% strand | Q6HT60 |
Ligands and binding sites
- NCN · Nicotinate mononucleotide · ligand · chains B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 488 | 0.66 | 0.78 | 43 | NCN, GOL |
| 2 | 350 | 0.60 | 0.77 | 38 | GOL |
| 3 | 195 | 0.49 | 0.76 | 32 | empty |
| 4 | 70 | 0.30 | 0.73 | 19 | empty |
| 5 | 63 | 0.29 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1036 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 2QTN · Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase · 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 Q6HT60
- Elsewhere: RCSB PDB 2QTN · PDBe 2QTN · UniProt Q6HT60
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