MolNFT v1 · #88392 · protein
Competence or damage-inducible protein cina from thermus thermophilus
4CTA · Cina-like protein: “Competence or damage-inducible protein cina from thermus thermophilus”. X-ray diffraction, 4 ligands (ATP, NA, MG), 10 pockets (best druggability 0.82). MolNFT v1 #88392 on GenesisL1: 3D structure, binding sites…
- PDB
- 4CTA
- Type
- protein
- Length
- 788 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cina-like protein
- UniProt
- Q5SHB0
- Ligands
- ATP, NA, MG, SO4
- Pockets
- 10 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cina-like protein | protein | 394 | 40% helix, 28% strand | Q5SHB0 |
| B | Cina-like protein | protein | 394 | 39% helix, 27% strand | Q5SHB0 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A
- MG · Magnesium ion · metal · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
- GOL · Glycerol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 909 | 0.82 | 0.84 | 69 | GOL, ATP, MG |
| 2 | 115 | 0.66 | 0.89 | 23 | empty |
| 3 | 192 | 0.58 | 0.81 | 27 | GOL, SO4 |
| 4 | 369 | 0.56 | 0.74 | 32 | empty |
| 5 | 186 | 0.55 | 0.80 | 24 | SO4, GOL |
Interfaces
1 interface between chains.
- A–B · 3259 Ų buried · 71 hydrogen bonds · protein-protein
Compared structures
- 4CTA · Competence or damage-inducible protein CinA from Thermus thermophilus · 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 Q5SHB0
- Elsewhere: RCSB PDB 4CTA · PDBe 4CTA · UniProt Q5SHB0
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