Research workbench
Crystal structure of the effector domain of the putative transcriptional regulator iclr from acinetobacter sp. ADP1
Analyse Crystal structure of the effector domain of the putative transcriptional… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3D3O
- Type
- protein
- Length
- 348 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative transcriptional regulator, icir family
- UniProt
- Q6FBA6
- Ligands
- SO4, NH4
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative transcriptional regulator, icir family | protein | 176 | 47% helix, 27% strand | Q6FBA6 |
| B | Putative transcriptional regulator, icir family | protein | 172 | 47% helix, 24% strand | Q6FBA6 |
Ligands and binding sites
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 | 118 | 0.77 | 0.96 | 26 | SO4, NH4 |
| 2 | 198 | 0.66 | 0.85 | 32 | SO4 |
| 3 | 70 | 0.37 | 0.77 | 18 | empty |
| 4 | 51 | 0.33 | 0.77 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 536 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 modified (engineered).
Compared structures
- 3D3O · Crystal structure of the effector domain of the putative transcriptional regulator IclR… · 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 Q6FBA6
- Elsewhere: RCSB PDB 3D3O · PDBe 3D3O · UniProt Q6FBA6
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