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Structure of the ptp-like phytase from selenomonas ruminantium in complex with myo-inositol (1,3,4,5)TETRAKISPHOSPHATE
Analyse Structure of the ptp-like phytase from selenomonas ruminantium in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3O3L
- Type
- protein
- Length
- 630 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myo-inositol hexaphosphate phosphohydrolase
- UniProt
- Q7WUJ1
- Ligands
- 4IP, CL
- Pockets
- 5 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Myo-inositol hexaphosphate phosphohydrolase | protein | 315 | 40% helix, 18% strand | Q7WUJ1 |
Ligands and binding sites
- 4IP · Inositol-(1,3,4,5)-tetrakisphosphate · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · 8 copies · chains A, B
- ACT · Acetate ion · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 435 | 0.63 | 0.77 | 67 | ACT, GOL, 4IP |
| 2 | 433 | 0.63 | 0.77 | 38 | empty |
| 3 | 363 | 0.60 | 0.77 | 50 | ACT, GOL, 4IP |
| 4 | 172 | 0.53 | 0.79 | 31 | empty |
| 5 | 155 | 0.53 | 0.80 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 708 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 3O3L · Structure of the PTP-like phytase from Selenomonas ruminantium in complex with… · 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 Q7WUJ1
- Elsewhere: RCSB PDB 3O3L · PDBe 3O3L · UniProt Q7WUJ1
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