MolNFT v1 · #122087 · protein
Crystal structure of mycobacterium tuberculosis ATP-independent proteasome activator
5IET · Bacterial proteasome activator: “Crystal structure of mycobacterium tuberculosis ATP-independent proteasome activator”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.49). MolNFT v1 #122087 on GenesisL1: 3D…
- PDB
- 5IET
- Type
- protein
- Length
- 222 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bacterial proteasome activator
- UniProt
- A0A0K2KYP6
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.49
Structure
x-ray diffraction · 1 distinct chain · 77% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | Bacterial proteasome activator | protein | 111 | 77% helix, 2% strand | A0A0K2KYP6 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains B, A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 4 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 173 | 0.49 | 0.77 | 26 | SO4 |
| 2 | 58 | 0.46 | 0.84 | 18 | empty |
| 3 | 106 | 0.42 | 0.77 | 16 | MPD |
| 4 | 66 | 0.37 | 0.78 | 11 | MPD |
Interfaces
1 interface between chains.
- B–A · 1093 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 5IET · Crystal Structure of Mycobacterium Tuberculosis ATP-independent Proteasome activator · the same entry in another collection · chain B against B, 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 A0A0K2KYP6
- Elsewhere: RCSB PDB 5IET · PDBe 5IET · UniProt A0A0K2KYP6
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