Research workbench
Crystal structure of the ROCO4 kinase domain from D. discoideum bound to the rock inhibitor H1152
Analyse Crystal structure of the ROCO4 kinase domain from D. discoideum bound to the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4F1T
- Type
- protein
- Length
- 269 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase ROCO4
- EC
- 2.7.11.1
- UniProt
- Q6XHB2
- Ligands
- H52
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase ROCO4 (EC 2.7.11.1) | protein | 269 | 37% helix, 14% strand | Q6XHB2 |
Ligands and binding sites
- H52 · (S)-2-methyl-1-[(4-methyl-5-isoquinoline)sulfonyl]-homopiperazine · ligand · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 296 | 0.59 | 0.78 | 35 | H52 |
| 2 | 76 | 0.41 | 0.79 | 17 | empty |
Compared structures
- 4F1T · Crystal Structure of the Roco4 Kinase Domain from D. discoideum bound to the ROCK… · the same entry in another collection · chain A against A, TM-score 1.00
- Q6XHB2 · AlphaFold monomer V2.0 prediction for probable SERINE/THREONINE- protein kinase ROCO4… · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q6XHB2
- Elsewhere: RCSB PDB 4F1T · PDBe 4F1T · UniProt Q6XHB2
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