Research workbench
Structure of selenomonas ruminantium ptp-like phytase with the active site cysteine oxidized to cysteine-sulfonic acid
Analyse Structure of selenomonas ruminantium ptp-like phytase with the active site… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2PT0
- Type
- protein
- Length
- 626 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myo-inositol hexaphosphate phosphohydrolase
- UniProt
- Q7WUJ1
- Pockets
- 5 · best druggability 0.57
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 | 313 | 40% helix, 18% strand | Q7WUJ1 |
Ligands and binding sites
- GOL · Glycerol · additive · 3 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 307 | 0.57 | 0.76 | 47 | empty |
| 2 | 249 | 0.53 | 0.76 | 42 | empty |
| 3 | 183 | 0.51 | 0.77 | 32 | empty |
| 4 | 133 | 0.51 | 0.80 | 25 | empty |
| 5 | 95 | 0.47 | 0.80 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 221 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
- 2PT0 · Structure of Selenomonas ruminantium PTP-like phytase with the active site cysteine… · 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 2PT0 · PDBe 2PT0 · UniProt Q7WUJ1
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