MolNFT v1 · #49914 · protein
Sequence determinants of the topology of the lac repressor tetrameric coiled coil
2R2V · GCN4 leucine zipper: “Sequence determinants of the topology of the lac repressor tetrameric coiled coil”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.45). MolNFT v1 #49914 on GenesisL1: 3D structure, binding…
- 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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