MolNFT v1 · #71721 · protein
Structure of the ptp-like phytase from selenomonas ruminantium in complex with myo-inositol hexakisphosphate
3MMJ · Myo-inositol hexaphosphate phosphohydrolase: “Structure of the ptp-like phytase from selenomonas ruminantium in complex with myo-inositol hexakisphosphate”. X-ray diffraction, 3 ligands (IHP, PO4, CL), 5 pockets (best druggability…
- PDB
- 3MMJ
- Type
- protein
- Length
- 627 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myo-inositol hexaphosphate phosphohydrolase
- UniProt
- Q7WUJ1
- Ligands
- IHP, PO4, CL
- Pockets
- 5 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Myo-inositol hexaphosphate phosphohydrolase | protein | 314 | 39% helix, 18% strand | Q7WUJ1 |
| B | Myo-inositol hexaphosphate phosphohydrolase | protein | 313 | 40% helix, 17% strand | Q7WUJ1 |
Ligands and binding sites
- IHP · Inositol hexakisphosphate · ligand · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- CL · Chloride ion · ion · chains B
- GOL · Glycerol · additive · 5 copies · chains A, B
- ACT · Acetate ion · additive · 4 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 | 408 | 0.61 | 0.76 | 38 | empty |
| 2 | 309 | 0.59 | 0.77 | 52 | IHP, PO4, ACT, GOL |
| 3 | 353 | 0.58 | 0.76 | 54 | IHP, PO4, ACT, GOL |
| 4 | 175 | 0.52 | 0.79 | 32 | empty |
| 5 | 108 | 0.47 | 0.80 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 687 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3MMJ · 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 3MMJ · PDBe 3MMJ · UniProt Q7WUJ1
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