MolNFT v1 · #39854 · protein
Crystal structure of protein TM1727 from thermotoga maritima
2I76 · Hypothetical protein: “Crystal structure of protein TM1727 from thermotoga maritima”. X-ray diffraction, 1 ligand (NDP), 4 pockets (best druggability 0.68). MolNFT v1 #39854 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2I76
- Type
- protein
- Length
- 489 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein
- UniProt
- Q9X250
- Ligands
- NDP
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein | protein | 247 | 53% helix, 9% strand | Q9X250 |
| B | Hypothetical protein | protein | 242 | 52% helix, 9% strand | Q9X250 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 279 | 0.68 | 0.84 | 33 | NDP |
| 2 | 557 | 0.67 | 0.77 | 52 | NDP |
| 3 | 80 | 0.50 | 0.83 | 21 | empty |
| 4 | 87 | 0.39 | 0.77 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 4206 Ų buried · 31 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 2I76 · Crystal structure of protein TM1727 from Thermotoga maritima · 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 Q9X250
- Elsewhere: RCSB PDB 2I76 · PDBe 2I76 · UniProt Q9X250
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