MolNFT v1 · #183153 · protein
Mycobacterium tuberculosis transcriptional regulator ethr with bound inhibitory compound
7NGG · Hth-type transcriptional regulator ethr: “Mycobacterium tuberculosis transcriptional regulator ethr with bound inhibitory compound”. X-ray diffraction, 1 ligand (U9W), 1 pocket (best druggability 0.74). MolNFT v1 #183153 on…
- PDB
- 7NGG
- Type
- protein
- Length
- 194 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulator ethr
- UniProt
- P9WMC1
- Ligands
- U9W
- Pockets
- 1 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Hth-type transcriptional regulator ethr | protein | 194 | 78% helix, 0% strand | P9WMC1 |
Ligands and binding sites
- U9W · ~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide · ligand · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 178 | 0.74 | 0.90 | 31 | U9W |
Compared structures
- 7NGG · Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound · the same entry in another collection · chain C against C, TM-score 1.00
- P9WMC1 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator ethr (P9WMC1) · a predicted model of the same protein · chain C 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 P9WMC1
- Elsewhere: RCSB PDB 7NGG · PDBe 7NGG · UniProt P9WMC1
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