MolNFT v1 · #78326 · protein
Crystal structure of a putative transcriptional regulator of the tetr family (SYN_02108) from syntrophus aciditrophicus at 2.60 a resolution
3S5R · Transcriptional regulator tetr family: “Crystal structure of a putative transcriptional regulator of the tetr family (SYN_02108) from syntrophus…”. X-ray diffraction, 4 pockets (best druggability 0.86). MolNFT v1 #78326 on…
- PDB
- 3S5R
- Type
- protein
- Length
- 393 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator tetr family
- UniProt
- Q2LS68
- Pockets
- 4 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 68% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator tetr family | protein | 197 | 69% helix, 1% strand | Q2LS68 |
| B | Transcriptional regulator tetr family | protein | 196 | 68% helix, 1% strand | Q2LS68 |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
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 | 320 | 0.86 | 0.95 | 38 | PEG |
| 2 | 292 | 0.83 | 0.94 | 43 | PEG |
| 3 | 121 | 0.42 | 0.76 | 22 | empty |
| 4 | 91 | 0.38 | 0.76 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 2742 Ų buried · 32 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 modified (engineered).
Compared structures
- 3S5R · Crystal structure of a putative transcriptional regulator of the TETR family (SYN_02108)… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q2LS68
- Elsewhere: RCSB PDB 3S5R · PDBe 3S5R · UniProt Q2LS68
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