MolNFT v1 · #91591 · protein
Crystal structure of the pcav transcriptional regulator from streptomyces coelicolor in complex with its natural ligand
4FHT: “Crystal structure of the pcav transcriptional regulator from streptomyces coelicolor in complex with its…”. X-ray diffraction, 1 ligand (DHB), 4 pockets (best druggability 0.36). MolNFT v1 #91591 on GenesisL1: 3D structure, binding…
- 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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