MolNFT v1 · #31739 · protein
Structure of the R258K mutant of selenomonas ruminantium ptp-like phytase
2B4O · Myo-inositol hexaphosphate phosphohydrolase: “Structure of the R258K mutant of selenomonas ruminantium ptp-like phytase”. X-ray diffraction, 1 ligand (CL), 5 pockets (best druggability 0.61). MolNFT v1 #31739 on GenesisL1: 3D…
- PDB
- 2B4O
- Type
- protein
- Length
- 626 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myo-inositol hexaphosphate phosphohydrolase
- EC
- 3.1.3.72
- UniProt
- Q7WUJ1
- Ligands
- CL
- Pockets
- 5 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Myo-inositol hexaphosphate phosphohydrolase (EC 3.1.3.72) | protein | 313 | 40% helix, 16% strand | Q7WUJ1 |
Ligands and binding sites
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 | 360 | 0.61 | 0.77 | 37 | empty |
| 2 | 327 | 0.60 | 0.77 | 51 | CL |
| 3 | 315 | 0.58 | 0.77 | 53 | empty |
| 4 | 162 | 0.53 | 0.80 | 32 | CL |
| 5 | 156 | 0.51 | 0.79 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 666 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 2B4O · Structure of the R258K mutant of Selenomonas ruminantium PTP-like phytase · 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 2B4O · PDBe 2B4O · UniProt Q7WUJ1
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