Research workbench
Sequence determinants of the topology of the lac repressor tetrameric coiled coil
Analyse Sequence determinants of the topology of the lac repressor tetrameric coiled… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2R2V
- Type
- protein
- Length
- 259 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GCN4 leucine zipper
- Ligands
- ZN
- Pockets
- 3 · best druggability 0.45
Structure
x-ray diffraction · 5 distinct chains · 91% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | GCN4 leucine zipper | protein | 33 | 91% helix, 0% strand | — |
| B, C, G | GCN4 leucine zipper | protein | 33 | 91% helix, 0% strand | — |
| E | GCN4 leucine zipper | protein | 31 | 90% helix, 0% strand | — |
| F | GCN4 leucine zipper | protein | 32 | 91% helix, 0% strand | — |
| H | GCN4 leucine zipper | protein | 31 | 94% helix, 0% strand | — |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains C, D, G
- CIT · Citric acid · additive · 4 copies · chains C, D, G
- ACT · Acetate ion · additive · 3 copies · chains C, F, G, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 158 | 0.45 | 0.75 | 18 | empty |
| 2 | 168 | 0.41 | 0.73 | 22 | ACT |
| 3 | 101 | 0.37 | 0.75 | 19 | empty |
Interfaces
16 interfaces between chains.
- F–G · 840 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 828 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 791 Ų buried · 1 hydrogen bond · protein-protein
- E–H · 788 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 746 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2R2V · Sequence Determinants of the Topology of the Lac Repressor Tetrameric Coiled Coil · 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
- Elsewhere: RCSB PDB 2R2V · PDBe 2R2V
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