Research workbench
Pseudomonas fluorescens phox in complex with vanadate, a transition state analogue
Analyse Pseudomonas fluorescens phox in complex with vanadate, a transition state… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ZWU
- Type
- protein
- Length
- 1,160 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alkaline phosphatase phox
- EC
- 3.1.3.1
- UniProt
- Q3K5N8
- Ligands
- FEO, CA, CL, VO4
- Pockets
- 9 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Alkaline phosphatase phox (EC 3.1.3.1) | protein | 580 | 13% helix, 34% strand | Q3K5N8 |
Ligands and binding sites
- FEO · Mu-oxo-diiron · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 6 copies · chains A, B
- CL · Chloride ion · ion · 4 copies · chains A, B
- VO4 · Vanadate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1185 | 0.78 | 0.80 | 89 | empty |
| 2 | 435 | 0.71 | 0.81 | 36 | empty |
| 3 | 449 | 0.70 | 0.81 | 33 | empty |
| 4 | 353 | 0.69 | 0.82 | 38 | empty |
| 5 | 350 | 0.57 | 0.76 | 48 | VO4, CA, FEO |
Interfaces
1 interface between chains.
- A–B · 718 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3ZWU · Pseudomonas fluorescens PhoX in complex with vanadate, a transition state analogue · 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 Q3K5N8
- Elsewhere: RCSB PDB 3ZWU · PDBe 3ZWU · UniProt Q3K5N8
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