MolNFT v1 · #68966 · protein
The crystal structure of the protein cina with unknown function from thermoplasma acidophilum
3KBQ · Protein TA0487: “The crystal structure of the protein cina with unknown function from thermoplasma acidophilum”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.74). MolNFT v1 #68966 on GenesisL1: 3D structure…
- PDB
- 3KBQ
- Type
- protein
- Length
- 333 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein TA0487
- UniProt
- Q9HKV6
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein TA0487 | protein | 164 | 43% helix, 24% strand | Q9HKV6 |
| B | Protein TA0487 | protein | 169 | 41% helix, 24% strand | Q9HKV6 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 82 | 0.74 | 0.97 | 33 | empty |
| 2 | 50 | 0.50 | 0.87 | 17 | empty |
| 3 | 52 | 0.50 | 0.86 | 19 | empty |
| 4 | 70 | 0.32 | 0.75 | 21 | SO4 |
| 5 | 60 | 0.28 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1002 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3KBQ · The crystal structure of the protein CinA with unknown function from Thermoplasma… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9HKV6 · AlphaFold monomer V2.0 prediction for protein TA0487 (Q9HKV6) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q9HKV6
- Elsewhere: RCSB PDB 3KBQ · PDBe 3KBQ · UniProt Q9HKV6
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