Research workbench
Purple acid phytase from wheat isoform B2 - complex with inositol hexasulphate
Analyse Purple acid phytase from wheat isoform B2 - complex with inositol hexasulphate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6GJ2
- Type
- protein
- Length
- 504 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Purple acid phosphatase
- EC
- 3.1.3.2
- UniProt
- C4PKL0
- Ligands
- IHS, NAG, FE, PO4
- Pockets
- 8 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 17% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Purple acid phosphatase (EC 3.1.3.2) | protein | 504 | 17% helix, 27% strand | C4PKL0 |
Ligands and binding sites
- IHS · D-myo-inositol-hexasulphate · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 7 copies · chains A
- FE · Fe (III) ion · metal · 2 copies · chains A
- PO4 · Phosphate ion · ion · chains A
- PEG · Di(hydroxyethyl)ether · additive · 5 copies · chains A
- PGE · Triethylene glycol · additive · 4 copies · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A
- PG4 · Tetraethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 58 | 0.73 | 0.99 | 21 | empty |
| 2 | 272 | 0.53 | 0.75 | 37 | PO4, IHS |
| 3 | 60 | 0.42 | 0.82 | 20 | empty |
| 4 | 67 | 0.36 | 0.77 | 20 | PG4 |
| 5 | 81 | 0.35 | 0.76 | 17 | PGE, EDO |
Modifications
Observed in the structure: 6 glycan, 4 disulfide (N-glycosylation, disulfide).
Compared structures
- 6GJ2 · Purple acid phytase from wheat isoform B2 - complex with inositol hexasulphate · 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 C4PKL0
- Elsewhere: RCSB PDB 6GJ2 · PDBe 6GJ2 · UniProt C4PKL0
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