MolNFT v1 · #38348 · protein
Crystal structure of the putative tetr-family transcriptional regulator from rhodococcus sp. RHA1
2GUH: “Crystal structure of the putative tetr-family transcriptional regulator from rhodococcus sp. RHA1”. X-ray diffraction, 1 ligand (MG), 3 pockets (best druggability 0.63). MolNFT v1 #38348 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2GUH
- Type
- protein
- Length
- 357 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative tetr-family transcriptional regulator
- UniProt
- Q0S8Y3
- Ligands
- MG
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative tetr-family transcriptional regulator | protein | 179 | 74% helix, 0% strand | Q0S8Y3 |
| B | Putative tetr-family transcriptional regulator | protein | 178 | 74% helix, 0% strand | Q0S8Y3 |
Ligands and binding sites
- MG · Magnesium ion · metal · 3 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 330 | 0.63 | 0.79 | 43 | empty |
| 2 | 300 | 0.60 | 0.78 | 27 | MG, EDO |
| 3 | 273 | 0.58 | 0.77 | 27 | MG, EDO |
Interfaces
1 interface between chains.
- A–B · 1955 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 modified (engineered).
Compared structures
- 2GUH · Crystal Structure of the Putative TetR-family Transcriptional Regulator from Rhodococcus… · 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 Q0S8Y3
- Elsewhere: RCSB PDB 2GUH · PDBe 2GUH · UniProt Q0S8Y3
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