MolNFT v1 · #145943 · protein
Mycobacterium tuberculosis transcriptional regulator
6D2S · Hth-type transcriptional regulator prpr: “Mycobacterium tuberculosis transcriptional regulator”. X-ray diffraction, 3 ligands (CA, NA, CL), 2 pockets (best druggability 0.64). MolNFT v1 #145943 on GenesisL1: 3D structure, binding…
- PDB
- 6D2S
- Type
- protein
- Length
- 275 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulator prpr
- UniProt
- O06581
- Ligands
- CA, NA, CL
- Pockets
- 2 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hth-type transcriptional regulator prpr | protein | 275 | 47% helix, 18% strand | O06581 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 343 | 0.64 | 0.79 | 34 | CL |
| 2 | 83 | 0.35 | 0.76 | 17 | CA |
Compared structures
- 6D2S · 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 0.94
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 6D2S · PDBe 6D2S · UniProt O06581
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