MolNFT v1 · #145795 · protein
Mycobacterium tuberculosis transcriptional regulator
6CYJ · Hth-type transcriptional regulator prpr: “Mycobacterium tuberculosis transcriptional regulator”. X-ray diffraction, 2 ligands (SF4, SCA), 5 pockets (best druggability 0.83). MolNFT v1 #145795 on GenesisL1: 3D structure, binding…
- PDB
- 6CYJ
- Type
- protein
- Length
- 658 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulator prpr
- UniProt
- O06581
- Ligands
- SF4, SCA
- Pockets
- 5 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hth-type transcriptional regulator prpr | protein | 329 | 38% helix, 19% strand | O06581 |
Ligands and binding sites
- SF4 · Iron/sulfur cluster · ligand · 2 copies · chains A, B
- SCA · Succinyl-coenzyme A · ligand · 2 copies · chains A, 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1004 | 0.83 | 0.84 | 74 | SCA |
| 2 | 951 | 0.83 | 0.84 | 71 | SCA |
| 3 | 269 | 0.53 | 0.75 | 30 | empty |
| 4 | 263 | 0.53 | 0.75 | 32 | empty |
| 5 | 134 | 0.50 | 0.80 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2626 Ų buried · 34 hydrogen bonds · protein-protein
Compared structures
- 6CYJ · Mycobacterium tuberculosis transcriptional regulator · the same entry in another collection · chain A against A, TM-score 1.00
- O06581 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator prpr (O06581) · a predicted model of the same protein · 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 O06581
- Elsewhere: RCSB PDB 6CYJ · PDBe 6CYJ · UniProt O06581
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