Research workbench
Crystal structure of pseudomonas aeruginosa hfq in complex with adpnp
Analyse Crystal structure of pseudomonas aeruginosa hfq in complex with adpnp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QUI
- Type
- protein
- Length
- 406 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein hfq
- UniProt
- Q9HUM0
- Ligands
- ADP, ANP, ADE
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 5 distinct chains · 19% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein hfq | protein | 71 | 18% helix, 42% strand | Q9HUM0 |
| B, E | Protein hfq | protein | 67 | 19% helix, 45% strand | Q9HUM0 |
| C | Protein hfq | protein | 69 | 20% helix, 43% strand | Q9HUM0 |
| D | Protein hfq | protein | 67 | 19% helix, 45% strand | Q9HUM0 |
| F | Protein hfq | protein | 65 | 20% helix, 46% strand | Q9HUM0 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 3 copies · chains A, F, B, C
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 3 copies · chains C, D, E
- ADE · Adenine · ligand · chains E, F
- PEG · Di(hydroxyethyl)ether · additive · chains D
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 | 991 | 0.72 | 0.76 | 65 | ANP |
| 2 | 60 | 0.30 | 0.74 | 18 | ADP |
Interfaces
6 interfaces between chains.
- A–F · 940 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 839 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 770 Ų buried · 11 hydrogen bonds · protein-protein
- D–E · 769 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 765 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3QUI · Crystal structure of Pseudomonas aeruginosa Hfq in complex with ADPNP · the same entry in another collection · chain F against F, TM-score 1.00
- Q9HUM0 · AlphaFold monomer V2.0 prediction for RNA-binding protein hfq (Q9HUM0) · a predicted model of the same protein · chain F against A, TM-score 0.98
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 Q9HUM0
- Elsewhere: RCSB PDB 3QUI · PDBe 3QUI · UniProt Q9HUM0
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