MolNFT v2 · #101872 · protein
Crystal Structure of an Inositol hexakisphosphate kinase EhIP6KA as a fusion protein with maltose binding protein
4O4B · Extracellular solute-binding protein family 1: “Crystal Structure of an Inositol hexakisphosphate kinase EhIP6KA as a fusion protein with maltose binding…”. X-ray diffraction at 1.8, 4 pockets (best druggability 0.73). MolNFT v2…
- PDB
- 4O4B
- Type
- protein
- Length
- 624 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.8
- Source
- Entamoeba histolytica; Escherichia coli
- Molecule
- Extracellular solute-binding protein family 1; Inositol hexakisphosphate kinase
- EC
- 2.7.4.21
- UniProt
- C9QV44, N9UNA8
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · resolution 1.8 · 2 distinct chains · 41% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Extracellular solute-binding protein family 1 | protein | 374 | 45% helix, 19% strand | C9QV44 |
| B | Inositol hexakisphosphate kinase (EC 2.7.4.21) | protein | 250 | 33% helix, 26% strand | N9UNA8 |
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 751 | 0.73 | 0.79 | 65 | empty |
| 2 | 655 | 0.70 | 0.77 | 67 | empty |
| 3 | 96 | 0.56 | 0.85 | 24 | empty |
| 4 | 191 | 0.55 | 0.79 | 35 | empty |
Interfaces
1 interface between chains.
- A–B · 699 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4O4B · Crystal structure of an inositol hexakisphosphate kinase EHIP6KA as a fusion protein 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 C9QV44
- Every structure of UniProt N9UNA8
- Elsewhere: RCSB PDB 4O4B · PDBe 4O4B · UniProt C9QV44 · UniProt N9UNA8
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