MolNFT v1 · #94972 · protein
Crystal structure of a putative tetr family transcriptional regulator from saccharomonospora viridis dsm 43017
4ICH: “Crystal structure of a putative tetr family transcriptional regulator from saccharomonospora viridis dsm 43017”. X-ray diffraction, 1 ligand (BR), 4 pockets (best druggability 0.83). MolNFT v1 #94972 on GenesisL1: 3D structure…
- PDB
- 4ICH
- Type
- protein
- Length
- 386 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator
- UniProt
- C7MT25
- Ligands
- BR
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 78% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator | protein | 193 | 78% helix, 1% strand | C7MT25 |
| B | Transcriptional regulator | protein | 193 | 78% helix, 1% strand | C7MT25 |
Ligands and binding sites
- BR · Bromide ion · ion · chains A
- BME · Beta-mercaptoethanol · additive · 2 copies · chains A, B
- B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 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 | 244 | 0.83 | 0.95 | 21 | B3P |
| 2 | 260 | 0.83 | 0.94 | 23 | B3P |
| 3 | 57 | 0.43 | 0.83 | 17 | BME |
| 4 | 114 | 0.40 | 0.76 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1669 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified, 2 covalent (engineered, additive adduct).
Compared structures
- 4ICH · Crystal structure of a putative TetR family transcriptional regulator from… · 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 C7MT25
- Elsewhere: RCSB PDB 4ICH · PDBe 4ICH · UniProt C7MT25
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