Research workbench
Helicobacter pylori caga inhibits PAR1/MARK family kinases by mimicking host substrates
Analyse Helicobacter pylori caga inhibits PAR1/MARK family kinases by mimicking host… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3IEC
- Type
- protein
- Length
- 1,302 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase MARK2; Cytotoxicity-associated immunodominant antigen
- EC
- 2.7.11.1
- UniProt
- Q7KZI7, P55980
- Pockets
- 19 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D | SERINE/THREONINE-protein kinase MARK2 (EC 2.7.11.1) | protein | 311 | 42% helix, 16% strand | Q7KZI7 |
| B | SERINE/THREONINE-protein kinase MARK2 (EC 2.7.11.1) | protein | 313 | 42% helix, 18% strand | Q7KZI7 |
| E, F, G, H | Cytotoxicity-associated immunodominant antigen | protein | 14 | 0% helix, 14% strand | P55980 |
Pockets
19 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 723 | 0.74 | 0.80 | 82 | empty |
| 2 | 475 | 0.64 | 0.77 | 41 | empty |
| 3 | 406 | 0.64 | 0.78 | 38 | empty |
| 4 | 396 | 0.63 | 0.77 | 41 | empty |
| 5 | 380 | 0.61 | 0.77 | 38 | empty |
Interfaces
9 interfaces between chains.
- B–F · 1023 Ų buried · 18 hydrogen bonds · protein-protein
- D–H · 1003 Ų buried · 16 hydrogen bonds · protein-protein
- C–G · 986 Ų buried · 18 hydrogen bonds · protein-protein
- A–E · 969 Ų buried · 16 hydrogen bonds · protein-protein
- A–D · 657 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3IEC · Helicobacter pylori CagA Inhibits PAR1/MARK Family Kinases by Mimicking Host Substrates · the same entry in another collection · chain H against H, TM-score 1.00
- Q7KZI7 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase MARK2 (Q7KZI7) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P55980 · AlphaFold monomer V2.0 prediction for cytotoxicity-associated immunodominant antigen… · a predicted model of the same protein · chain F against A, TM-score 0.36
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 Q7KZI7
- Every structure of UniProt P55980
- Elsewhere: RCSB PDB 3IEC · PDBe 3IEC · UniProt Q7KZI7 · UniProt P55980
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