MolNFT v1 · #112323 · protein
Crystal structure of a bacterial repressor protein
4ZHU · Yfir: “Crystal structure of a bacterial repressor protein”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.53). MolNFT v1 #112323 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4ZHU
- Type
- protein
- Length
- 298 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Yfir
- UniProt
- Q9I4L4
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.53
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Yfir | protein | 151 | 32% helix, 25% strand | Q9I4L4 |
| B | Yfir | protein | 147 | 31% helix, 24% strand | Q9I4L4 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 162 | 0.53 | 0.79 | 23 | empty |
| 2 | 54 | 0.43 | 0.83 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 832 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4ZHU · Crystal structure of a bacterial repressor protein · 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 Q9I4L4
- Elsewhere: RCSB PDB 4ZHU · PDBe 4ZHU · UniProt Q9I4L4
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