Research workbench
Crystal structure of putative marr family transcriptional regulator from acinetobacter sp. ADP
Analyse Crystal structure of putative 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
- 3K0L
- Type
- protein
- Length
- 279 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Repressor protein
- UniProt
- Q7X0D9
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 67% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Repressor protein | protein | 139 | 66% helix, 7% strand | Q7X0D9 |
| B | Repressor protein | protein | 140 | 67% helix, 7% strand | Q7X0D9 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 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 | 198 | 0.64 | 0.83 | 31 | empty |
| 2 | 224 | 0.63 | 0.82 | 36 | empty |
| 3 | 100 | 0.35 | 0.74 | 20 | empty |
| 4 | 60 | 0.34 | 0.78 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2903 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 3K0L · Crystal Structure of Putative MarR Family Transcriptional Regulator from Acinetobacter… · 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 Q7X0D9
- Elsewhere: RCSB PDB 3K0L · PDBe 3K0L · UniProt Q7X0D9
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