MolNFT v1 · #60835 · protein
Crystal structure of the effector domain of the putative transcriptional regulator iclr from acinetobacter sp. ADP1
3D3O · Putative transcriptional regulator, icir family: “Crystal structure of the effector domain of the putative transcriptional regulator iclr from acinetobacter…”. X-ray diffraction, 2 ligands (SO4, NH4), 4 pockets (best druggability…
- 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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