MolNFT v1 · #191030 · protein
Crystal structure of amycolatopsis jejuensis multiple inositol polyphosphate phosphatase, complex with myo-inositol hexakissulfate
7ZGH · Multiple inositol-polyphosphate phosphatase: “Crystal structure of amycolatopsis jejuensis multiple inositol polyphosphate phosphatase, complex with…”. X-ray diffraction, 1 ligand (IHS), 7 pockets (best druggability 0.78). MolNFT v1…
- PDB
- 7ZGH
- Type
- protein
- Length
- 826 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
- IHS
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Multiple inositol-polyphosphate phosphatase (EC 3.1.3.62) | protein | 413 | 53% helix, 13% strand | — |
Ligands and binding sites
- IHS · D-myo-inositol-hexasulphate · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 896 | 0.78 | 0.81 | 97 | empty |
| 2 | 414 | 0.62 | 0.77 | 51 | IHS |
| 3 | 405 | 0.62 | 0.77 | 50 | IHS |
| 4 | 132 | 0.47 | 0.78 | 23 | empty |
| 5 | 122 | 0.44 | 0.77 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 775 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7ZGH · 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 7ZGH · PDBe 7ZGH
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