MolNFT v1 · #134453 · protein
Plp and GABA trigger gabr-mediated transcription regulation in bacillus subsidies via external aldimine formation
5T4K · Hth-type transcriptional regulatory protein gabr: “Plp and GABA trigger gabr-mediated transcription regulation in bacillus subsidies via external aldimine…”. X-ray diffraction, 1 ligand (76U), 3 pockets (best druggability 0.65).…
- PDB
- 5T4K
- Type
- protein
- Length
- 360 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulatory protein gabr
- UniProt
- P94426
- Ligands
- 76U
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hth-type transcriptional regulatory protein gabr | protein | 360 | 44% helix, 16% strand | P94426 |
Ligands and binding sites
- 76U · (4S)-5-fluoro-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl) amino]pentanoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 204 | 0.65 | 0.84 | 29 | 76U |
| 2 | 93 | 0.53 | 0.84 | 20 | empty |
| 3 | 94 | 0.33 | 0.73 | 17 | empty |
Compared structures
- 5T4K · PLP and GABA Trigger GabR-Mediated Transcription Regulation in Bacillus subsidies via… · the same entry in another collection · chain A against A, TM-score 1.00
- P94426 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulatory protein gabr… · a predicted model of the same protein · chain A 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 P94426
- Elsewhere: RCSB PDB 5T4K · PDBe 5T4K · UniProt P94426
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