Research workbench
Crystal structure of a coiled-coil domain from human rock I
Analyse Crystal structure of a coiled-coil domain from human rock I in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3O0Z
- Type
- protein
- Length
- 623 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rho-associated protein kinase 1
- EC
- 2.7.11.1
- UniProt
- Q13464
- Pockets
- 2 · best druggability 0.43
Structure
x-ray diffraction · 4 distinct chains · 95% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rho-associated protein kinase 1 (EC 2.7.11.1) | protein | 152 | 97% helix, 0% strand | Q13464 |
| B | Rho-associated protein kinase 1 (EC 2.7.11.1) | protein | 152 | 97% helix, 0% strand | Q13464 |
| C | Rho-associated protein kinase 1 (EC 2.7.11.1) | protein | 159 | 93% helix, 0% strand | Q13464 |
| D | Rho-associated protein kinase 1 (EC 2.7.11.1) | protein | 160 | 94% helix, 0% strand | Q13464 |
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 168 | 0.43 | 0.74 | 18 | empty |
| 2 | 70 | 0.29 | 0.73 | 13 | empty |
Interfaces
5 interfaces between chains.
- C–D · 2821 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 2637 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 144 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 26 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 23 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 3O0Z · Crystal structure of a coiled-coil domain from human ROCK I · the same entry in another collection · chain A against A, TM-score 1.00
- Q13464 · AlphaFold monomer V2.0 prediction for rho-associated protein kinase 1 (Q13464) · a predicted model of the same protein · chain A against A, TM-score 0.78
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 Q13464
- Elsewhere: RCSB PDB 3O0Z · PDBe 3O0Z · UniProt Q13464
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