MolNFT v1 · #137855 · protein
Pobr in complex with phb
5W1E · Putative transcriptional regulator: “Pobr in complex with phb”. X-ray diffraction, 2 ligands (PHB, SO4), 5 pockets (best druggability 0.63). MolNFT v1 #137855 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5W1E
- Type
- protein
- Length
- 500 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative transcriptional regulator
- UniProt
- Q9Z4X2
- Ligands
- PHB, SO4
- Pockets
- 5 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative transcriptional regulator | protein | 500 | 47% helix, 21% strand | Q9Z4X2 |
Ligands and binding sites
- PHB · P-hydroxybenzoic acid · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 516 | 0.63 | 0.75 | 37 | GOL |
| 2 | 257 | 0.53 | 0.76 | 28 | GOL |
| 3 | 173 | 0.47 | 0.76 | 28 | empty |
| 4 | 202 | 0.46 | 0.74 | 27 | empty |
| 5 | 131 | 0.42 | 0.75 | 18 | empty |
Compared structures
- 5W1E · PobR in complex with PHB · 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 Q9Z4X2
- Elsewhere: RCSB PDB 5W1E · PDBe 5W1E · UniProt Q9Z4X2
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