MolNFT v1 · #58958 · protein
Crystal structure of marr family transcription regulator SP03579
3BJ6 · Transcriptional regulator, marr family: “Crystal structure of marr family transcription regulator SP03579”. X-ray diffraction, 2 pockets (best druggability 0.71). MolNFT v1 #58958 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3BJ6
- Type
- protein
- Length
- 303 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator, marr family
- UniProt
- Q5LMI4
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 72% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator, marr family | protein | 152 | 72% helix, 7% strand | Q5LMI4 |
| B | Transcriptional regulator, marr family | protein | 151 | 72% helix, 6% strand | Q5LMI4 |
Ligands and binding sites
- EOH · Ethanol · additive · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 338 | 0.71 | 0.84 | 39 | EOH |
| 2 | 355 | 0.70 | 0.82 | 42 | EOH |
Interfaces
1 interface between chains.
- A–B · 3073 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 3BJ6 · Crystal structure of MarR family transcription regulator SP03579 · 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 Q5LMI4
- Elsewhere: RCSB PDB 3BJ6 · PDBe 3BJ6 · UniProt Q5LMI4
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