Research workbench
Crystal structure of the marr family transcriptional regulator from enterobacter soli strain LF7 bound to indole 3 acetic acid
Analyse Crystal structure of the marr family transcriptional regulator from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7L19
- Type
- protein
- Length
- 379 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Marr family transcriptional regulator
- UniProt
- A0A198GGN0
- Ligands
- IAC, NI
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 72% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Marr family transcriptional regulator | protein | 128 | 70% helix, 7% strand | A0A198GGN0 |
| B | Marr family transcriptional regulator | protein | 122 | 71% helix, 3% strand | A0A198GGN0 |
| C | Marr family transcriptional regulator | protein | 129 | 74% helix, 5% strand | A0A198GGN0 |
Ligands and binding sites
- IAC · 1H-indol-3-ylacetic acid · ligand · 3 copies · chains A, B, C
- NI · Nickel (II) ion · metal · chains 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 | 104 | 0.73 | 0.94 | 21 | IAC |
| 2 | 66 | 0.73 | 0.97 | 17 | IAC |
| 3 | 102 | 0.43 | 0.78 | 22 | empty |
| 4 | 125 | 0.37 | 0.72 | 24 | IAC |
Interfaces
2 interfaces between chains.
- B–C · 2526 Ų buried · 20 hydrogen bonds · protein-protein
- A–C · 246 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 7L19 · Crystal structure of the MarR family transcriptional regulator from Enterobacter soli… · 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 A0A198GGN0
- Elsewhere: RCSB PDB 7L19 · PDBe 7L19 · UniProt A0A198GGN0
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