MolNFT v1 · #56625 · protein
Crystal structure of the transcriptional repressor pagr of bacillus anthracis
2ZKZ: “Crystal structure of the transcriptional repressor pagr of bacillus anthracis”. X-ray diffraction, 4 pockets (best druggability 0.60). MolNFT v1 #56625 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2ZKZ
- Type
- protein
- Length
- 341 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional repressor pagr
- UniProt
- O31178
- Pockets
- 4 · best druggability 0.60
Structure
x-ray diffraction · 3 distinct chains · 64% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Transcriptional repressor pagr | protein | 86 | 62% helix, 16% strand | O31178 |
| C | Transcriptional repressor pagr | protein | 87 | 64% helix, 17% strand | O31178 |
| D | Transcriptional repressor pagr | protein | 82 | 65% helix, 9% strand | O31178 |
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 | 273 | 0.60 | 0.79 | 39 | empty |
| 2 | 103 | 0.51 | 0.82 | 18 | empty |
| 3 | 90 | 0.38 | 0.76 | 15 | empty |
| 4 | 106 | 0.34 | 0.73 | 20 | empty |
Interfaces
5 interfaces between chains.
- B–C · 909 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 835 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 796 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 28 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 11 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 2ZKZ · Crystal structure of the transcriptional repressor PagR of Bacillus anthracis · the same entry in another collection · chain A against A, TM-score 1.00
- O31178 · AlphaFold monomer V2.0 prediction for transcriptional repressor pagr (O31178) · a predicted model of the same protein · chain C against A, TM-score 0.97
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 O31178
- Elsewhere: RCSB PDB 2ZKZ · PDBe 2ZKZ · UniProt O31178
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