Research workbench
Conversion of pyrophosphate-dependent myo-inositol-1 kinase into myo- inositol-3 kinase by N78L/S89L mutation
Analyse Conversion of pyrophosphate-dependent myo-inositol-1 kinase into myo… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7E4L
- Type
- protein
- Length
- 555 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pfkb domain-containing protein
- UniProt
- R4NYE9
- Ligands
- MDN, MG
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pfkb domain-containing protein | protein | 278 | 37% helix, 28% strand | R4NYE9 |
| B | Pfkb domain-containing protein | protein | 277 | 36% helix, 27% strand | R4NYE9 |
Ligands and binding sites
- MDN · Methylenediphosphonic acid · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 518 | 0.69 | 0.79 | 49 | MDN, MG |
| 2 | 556 | 0.68 | 0.78 | 61 | MDN, MG |
Interfaces
1 interface between chains.
- A–B · 146 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7E4L · Conversion of pyrophosphate-dependent myo-inositol-1 kinase into myo-inositol-3 kinase by… · 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 R4NYE9
- Elsewhere: RCSB PDB 7E4L · PDBe 7E4L · UniProt R4NYE9
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