MolNFT v1 · #92228 · protein
Crystal structure of CK1G3 with 2-[(4-tert-BUTYLPHENYL)AMINO]-1H- benzimidazole-6-carbonitrile
4G17 · Casein kinase I isoform gamma-3: “Crystal structure of CK1G3 with 2-[(4-tert-BUTYLPHENYL)AMINO]-1H- benzimidazole-6-carbonitrile”. X-ray diffraction, 1 ligand (0VN), 2 pockets (best druggability 0.67). MolNFT v1 #92228 on GenesisL1…
- PDB
- 4G17
- Type
- protein
- Length
- 302 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Casein kinase I isoform gamma-3
- EC
- 2.7.11.1
- UniProt
- Q9Y6M4
- Ligands
- 0VN
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase I isoform gamma-3 (EC 2.7.11.1) | protein | 302 | 35% helix, 16% strand | Q9Y6M4 |
Ligands and binding sites
- 0VN · 2-[(4-tert-butylphenyl)amino]-1H-benzimidazole-6-carbonitrile · ligand · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 397 | 0.67 | 0.80 | 48 | 0VN |
| 2 | 90 | 0.58 | 0.87 | 21 | empty |
Compared structures
- 4G17 · Crystal structure of ck1g3 with 2-[(4-TERT-BUTYLPHENYL)AMINO]-1H-BENZIMIDAZOLE-6-CARBONITR… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Y6M4 · AlphaFold monomer V2.0 prediction for casein kinase I isoform gamma-3 (Q9Y6M4) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q9Y6M4
- Elsewhere: RCSB PDB 4G17 · PDBe 4G17 · UniProt Q9Y6M4
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