MolNFT v1 · #61215 · protein
Crystal structure of transcription regulatory protein slya from salmonella typhimurium in complex with salicylate ligands
3DEU · Transcriptional regulator slya: “Crystal structure of transcription regulatory protein slya from salmonella typhimurium in complex with…”. X-ray diffraction, 1 ligand (SAL), 4 pockets (best druggability 0.54). MolNFT v1 #61215 on…
- PDB
- 3DEU
- Type
- protein
- Length
- 262 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator slya
- UniProt
- P40676
- Ligands
- SAL
- Pockets
- 4 · best druggability 0.54
Structure
x-ray diffraction · 2 distinct chains · 71% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator slya | protein | 132 | 71% helix, 7% strand | P40676 |
| B | Transcriptional regulator slya | protein | 130 | 72% helix, 5% strand | P40676 |
Ligands and binding sites
- SAL · 2-hydroxybenzoic acid · ligand · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 289 | 0.54 | 0.74 | 22 | SAL |
| 2 | 249 | 0.53 | 0.75 | 22 | SAL |
| 3 | 146 | 0.44 | 0.75 | 21 | empty |
| 4 | 104 | 0.36 | 0.74 | 16 | SAL |
Interfaces
1 interface between chains.
- A–B · 403 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3DEU · Crystal structure of transcription regulatory protein slyA from Salmonella typhimurium in… · the same entry in another collection · chain A against A, TM-score 1.00
- P40676 · AlphaFold monomer V2.0 prediction for transcriptional regulator slya (P40676) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P40676
- Elsewhere: RCSB PDB 3DEU · PDBe 3DEU · UniProt P40676
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