MolNFT v1 · #139796 · protein
Crystal structure of a pseudomonas aeruginosa transcriptional regulator
5XQL · Multidrug-efflux transporter 1 regulator: “Crystal structure of a pseudomonas aeruginosa transcriptional regulator”. X-ray diffraction, 1 ligand (C2E), 1 pocket (best druggability 0.47). MolNFT v1 #139796 on GenesisL1: 3D structure…
- PDB
- 5XQL
- Type
- protein
- Length
- 268 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Multidrug-efflux transporter 1 regulator
- UniProt
- A0A069Q416
- Ligands
- C2E
- Pockets
- 1 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Multidrug-efflux transporter 1 regulator | protein | 268 | 42% helix, 25% strand | A0A069Q416 |
Ligands and binding sites
- C2E · 9,9'-[(2r,3r,3as,5s,7ar,9r,10r,10as,12s,14ar)-3,5,10, 12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3, 2-D:3',2'-J][1,3,7,9,2, 8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) · ligand · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 200 | 0.47 | 0.74 | 30 | empty |
Compared structures
- 5XQL · Crystal structure of a Pseudomonas aeruginosa transcriptional regulator · 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 A0A069Q416
- Elsewhere: RCSB PDB 5XQL · PDBe 5XQL · UniProt A0A069Q416
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