MolNFT v1 · #26695 · protein
Crystal structure of nictinate-nucleotide-dimethylbenzimidazole phosphoribosyltransferase from thermus thermophilus HB8
1WX1 · Nicotinate-nucleotide--dimethylbenzimidazole…: “Crystal structure of nictinate-nucleotide-dimethylbenzimidazole phosphoribosyltransferase from thermus…”. X-ray diffraction, 1 ligand (NA), 2 pockets (best druggability 0.72). MolNFT…
- PDB
- 1WX1
- Type
- protein
- Length
- 660 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase
- EC
- 2.4.2.21
- UniProt
- Q7SIC7
- Ligands
- NA
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase (EC 2.4.2.21) | protein | 330 | 53% helix, 11% strand | Q7SIC7 |
Ligands and binding sites
- NA · Sodium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 375 | 0.72 | 0.83 | 44 | empty |
| 2 | 358 | 0.70 | 0.83 | 42 | empty |
Interfaces
1 interface between chains.
- A–B · 2102 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 1WX1 · Crystal structure of nictinate-nucleotide-dimethylbenzimidazole phosphoribosyltransferase… · the same entry in another collection · chain A against A, TM-score 1.00
- Q7SIC7 · AlphaFold monomer V2.0 prediction for nicotinate-nucleotide-- dimethylbenzimidazole… · a predicted model of the same protein · chain B 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 Q7SIC7
- Elsewhere: RCSB PDB 1WX1 · PDBe 1WX1 · UniProt Q7SIC7
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