MolNFT v1 · #191029 · protein
Crystal structure of amycolatopsis jejuensis multiple inositol polyphosphate phosphatase, phosphate-bound
7ZGG · Multiple inositol-polyphosphate phosphatase: “Crystal structure of amycolatopsis jejuensis multiple inositol polyphosphate phosphatase, phosphate-bound”. X-ray diffraction, 1 ligand (PO4), 9 pockets (best druggability 0.72). MolNFT…
- PDB
- 7ZGG
- Type
- protein
- Length
- 824 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Multiple inositol-polyphosphate phosphatase
- EC
- 3.1.3.62
- Ligands
- PO4
- Pockets
- 9 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Multiple inositol-polyphosphate phosphatase (EC 3.1.3.62) | protein | 414 | 53% helix, 13% strand | — |
| B | Multiple inositol-polyphosphate phosphatase (EC 3.1.3.62) | protein | 410 | 53% helix, 13% strand | — |
Ligands and binding sites
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 | 522 | 0.72 | 0.81 | 58 | empty |
| 2 | 450 | 0.69 | 0.80 | 46 | empty |
| 3 | 351 | 0.59 | 0.76 | 48 | PO4 |
| 4 | 202 | 0.55 | 0.79 | 24 | empty |
| 5 | 293 | 0.55 | 0.76 | 44 | PO4 |
Interfaces
1 interface between chains.
- A–B · 789 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7ZGG · Crystal Structure of Amycolatopsis jejuensis Multiple Inositol Polyphosphate Phosphatase… · 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
- Elsewhere: RCSB PDB 7ZGG · PDBe 7ZGG
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