MolNFT v1 · #179299 · protein
Ttgr quadruple mutant (C137I I141W M167L F168Y)
7K1A · Hth-type transcriptional regulator ttgr: “Ttgr quadruple mutant (C137I I141W M167L F168Y)”. X-ray diffraction, 1 ligand (MG), 2 pockets (best druggability 0.81). MolNFT v1 #179299 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7K1A
- Type
- protein
- Length
- 413 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulator ttgr
- UniProt
- Q9AIU0
- Ligands
- MG
- Pockets
- 2 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 77% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hth-type transcriptional regulator ttgr | protein | 206 | 76% helix, 1% strand | Q9AIU0 |
| B | Hth-type transcriptional regulator ttgr | protein | 207 | 77% helix, 1% strand | Q9AIU0 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 413 | 0.81 | 0.89 | 41 | empty |
| 2 | 341 | 0.80 | 0.90 | 35 | empty |
Interfaces
1 interface between chains.
- A–B · 2204 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
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 Q9AIU0
- Elsewhere: RCSB PDB 7K1A · PDBe 7K1A · UniProt Q9AIU0
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