Research workbench
Crystal structure of the pcav transcriptional regulator from streptomyces coelicolor in complex with its natural ligand
Analyse Crystal structure of the pcav transcriptional regulator from streptomyces… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FHT
- Type
- protein
- Length
- 283 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pcav transcriptional regulator
- UniProt
- Q9XAM6
- Ligands
- DHB
- Pockets
- 4 · best druggability 0.36
Structure
x-ray diffraction · 2 distinct chains · 67% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pcav transcriptional regulator | protein | 141 | 68% helix, 9% strand | Q9XAM6 |
| B | Pcav transcriptional regulator | protein | 142 | 65% helix, 7% strand | Q9XAM6 |
Ligands and binding sites
- DHB · 3,4-dihydroxybenzoic acid · ligand · 2 copies · chains A, B
- ACT · Acetate ion · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 104 | 0.36 | 0.74 | 26 | empty |
| 2 | 86 | 0.34 | 0.74 | 22 | empty |
| 3 | 67 | 0.32 | 0.75 | 16 | empty |
| 4 | 56 | 0.26 | 0.73 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 2581 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 4FHT · Crystal Structure of the PcaV transcriptional regulator from Streptomyces coelicolor in… · 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 Q9XAM6
- Elsewhere: RCSB PDB 4FHT · PDBe 4FHT · UniProt Q9XAM6
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