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Crystal structure of inorganic phosphatase from brucella melitensis
Analyse Crystal structure of inorganic phosphatase from brucella melitensis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3FQ3
- Type
- protein
- Length
- 2,083 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.9
- Source
- Brucella melitensis biovar Abortus 2308
- Molecule
- Inorganic pyrophosphatase:Bacterial/Archaeal inorganic pyrophosphatase
- EC
- 3.6.1.1
- UniProt
- Q2YR76
- Ligands
- PO4
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · resolution 1.9 · 2 distinct chains · 20% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, E, G, I, J, K | Inorganic pyrophosphatase:Bacterial/Archaeal inorganic pyrophosphatase (EC 3.6.1.1) | protein | 174 | 20% helix, 33% strand | Q2YR76 |
| C, D, F, H, L | Inorganic pyrophosphatase:Bacterial/Archaeal inorganic pyrophosphatase (EC 3.6.1.1) | protein | 173 | 20% helix, 33% strand | Q2YR76 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 21 copies · chains A, C, B, D, E, F, G, I, H, J, K, L
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 | 704 | 0.80 | 0.84 | 72 | empty |
| 2 | 812 | 0.79 | 0.82 | 78 | empty |
| 3 | 736 | 0.79 | 0.82 | 70 | empty |
| 4 | 718 | 0.78 | 0.82 | 67 | empty |
| 5 | 1130 | 0.77 | 0.79 | 96 | PO4 |
Interfaces
29 interfaces between chains.
- A–E · 879 Ų buried · 13 hydrogen bonds · protein-protein
- I–K · 853 Ų buried · 11 hydrogen bonds · protein-protein
- B–F · 849 Ų buried · 12 hydrogen bonds · protein-protein
- G–K · 833 Ų buried · 10 hydrogen bonds · protein-protein
- G–I · 819 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 3FQ3 · Crystal structure of inorganic phosphatase from brucella melitensis · 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 Q2YR76
- Elsewhere: RCSB PDB 3FQ3 · PDBe 3FQ3 · UniProt Q2YR76
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