MolNFT v1 · #79891 · protein
Crystal structure of the zinc-dependent marr family transcriptional regulator adcr in the ZN(II)-bound state
3TGN · Adc operon repressor adcr: “Crystal structure of the zinc-dependent marr family transcriptional regulator adcr in the ZN(II)-bound state”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.51). MolNFT v1 #79891 on…
- PDB
- 3TGN
- Type
- protein
- Length
- 281 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adc operon repressor adcr
- UniProt
- Q04I02
- Ligands
- ZN
- Pockets
- 3 · best druggability 0.51
Structure
x-ray diffraction · 2 distinct chains · 64% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adc operon repressor adcr | protein | 135 | 66% helix, 3% strand | Q04I02 |
| B | Adc operon repressor adcr | protein | 146 | 62% helix, 5% strand | Q04I02 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 211 | 0.51 | 0.77 | 50 | empty |
| 2 | 78 | 0.32 | 0.74 | 18 | empty |
| 3 | 58 | 0.31 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2578 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 3TGN · Crystal Structure of the zinc-dependent MarR Family Transcriptional Regulator AdcR in the… · the same entry in another collection · chain A against A, TM-score 1.00
- Q04I02 · AlphaFold monomer V2.0 prediction for transcriptional regulator adcr (Q04I02) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 Q04I02
- Elsewhere: RCSB PDB 3TGN · PDBe 3TGN · UniProt Q04I02
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