Research workbench
Crystal structure of the G1179S ROCO4 kinase domain bound to appcp from D. discoideum.
Analyse Crystal structure of the G1179S ROCO4 kinase domain bound to appcp from D.… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4F1M
- Type
- protein
- Length
- 278 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
- ACP, MG
- Pockets
- 1 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase ROCO4 (EC 2.7.11.1) | protein | 278 | 36% helix, 17% strand | Q6XHB2 |
Ligands and binding sites
- ACP · Phosphomethylphosphonic acid adenylate ester · ligand · chains A
- MG · Magnesium ion · metal · chains A
- BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 227 | 0.56 | 0.78 | 28 | ACP, MG |
Compared structures
- 4F1M · Crystal Structure of the G1179S Roco4 Kinase Domain bound to AppCp from D. discoideum. · 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 0.96
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 4F1M · PDBe 4F1M · UniProt Q6XHB2
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