Research workbench
Crystal structure of flhf complexed with GMPPNP/MG(2+)
Analyse Crystal structure of flhf complexed with GMPPNP/MG(2+) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2PX0
- Type
- protein
- Length
- 2,064 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Flagellar biosynthesis protein flhf
- UniProt
- Q01960
- Ligands
- GNP, MG
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Flagellar biosynthesis protein flhf | protein | 258 | 43% helix, 13% strand | Q01960 |
Ligands and binding sites
- GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · 8 copies · chains A, E, B, F, C, G, D, H
- MG · Magnesium ion · metal · 8 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 695 | 0.86 | 0.90 | 81 | MG, GNP |
| 2 | 664 | 0.84 | 0.89 | 73 | MG, GNP |
| 3 | 723 | 0.84 | 0.88 | 88 | MG, GNP |
| 4 | 653 | 0.84 | 0.89 | 67 | MG, GNP |
| 5 | 175 | 0.82 | 0.97 | 40 | empty |
Interfaces
10 interfaces between chains.
- B–F · 1546 Ų buried · 42 hydrogen bonds · protein-protein
- C–G · 1505 Ų buried · 53 hydrogen bonds · protein-protein
- A–E · 1499 Ų buried · 35 hydrogen bonds · protein-protein
- D–H · 1497 Ų buried · 40 hydrogen bonds · protein-protein
- B–H · 418 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2PX0 · Crystal structure of FlhF complexed with GMPPNP/Mg(2+) · the same entry in another collection · chain F against F, TM-score 1.00
- Q01960 · AlphaFold monomer V2.0 prediction for flagellar biosynthesis protein flhf (Q01960) · a predicted model of the same protein · chain F against A, TM-score 0.99
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 Q01960
- Elsewhere: RCSB PDB 2PX0 · PDBe 2PX0 · UniProt Q01960
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