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
- 2QTR
- Type
- protein
- Length
- 567 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable nicotinate-nucleotide adenylyltransferase
- EC
- 2.7.7.18
- UniProt
- A0A2B6C295
- Ligands
- DND, SO4
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Probable nicotinate-nucleotide adenylyltransferase (EC 2.7.7.18) | protein | 189 | 37% helix, 16% strand | A0A2B6C295 |
Ligands and binding sites
- DND · Nicotinic acid adenine dinucleotide · ligand · 3 copies · chains A, B, C
- SO4 · Sulfate ion · ion · 4 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 367 | 0.79 | 0.89 | 48 | SO4, DND |
| 2 | 396 | 0.78 | 0.87 | 50 | SO4, DND |
| 3 | 392 | 0.77 | 0.86 | 48 | SO4, DND |
| 4 | 416 | 0.65 | 0.78 | 39 | empty |
| 5 | 236 | 0.54 | 0.77 | 33 | empty |
Interfaces
2 interfaces between chains.
- B–C · 889 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 786 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 2QTR · 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 A0A2B6C295
- Elsewhere: RCSB PDB 2QTR · PDBe 2QTR · UniProt A0A2B6C295
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.