MolNFT v1 · #111736 · protein
Humanized ROCO4 bound to compound 19
4YZN · Probable SERINE/THREONINE-protein kinase ROCO4: “Humanized ROCO4 bound to compound 19”. X-ray diffraction, 1 ligand (4K5), 1 pocket (best druggability 0.60). MolNFT v1 #111736 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4YZN
- Type
- protein
- Length
- 269 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable SERINE/THREONINE-protein kinase ROCO4
- EC
- 2.7.11.1
- UniProt
- Q6XHB2
- Ligands
- 4K5
- Pockets
- 1 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable SERINE/THREONINE-protein kinase ROCO4 (EC 2.7.11.1) | protein | 269 | 35% helix, 17% strand | Q6XHB2 |
Ligands and binding sites
- 4K5 · (4-{[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-2-fluoro-5-methoxyphenyl)(morpholin-4-yl)methanone · ligand · 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 | 257 | 0.60 | 0.79 | 32 | 4K5 |
Compared structures
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 4YZN · PDBe 4YZN · UniProt Q6XHB2
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