MolNFT v1 · #96695 · protein
Crystal structure of SCCK2 alpha in complex with gmppnp
4JR7 · Casein kinase II subunit alpha: “Crystal structure of SCCK2 alpha in complex with gmppnp”. X-ray diffraction, 2 ligands (GNP, MG), 4 pockets (best druggability 0.64). MolNFT v1 #96695 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4JR7
- Type
- protein
- Length
- 367 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Casein kinase II subunit alpha
- EC
- 2.7.11.1
- UniProt
- P15790
- Ligands
- GNP, MG
- Pockets
- 4 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 367 | 41% helix, 14% strand | P15790 |
Ligands and binding sites
- GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 295 | 0.64 | 0.80 | 36 | GNP, MG |
| 2 | 106 | 0.53 | 0.83 | 21 | empty |
| 3 | 77 | 0.49 | 0.83 | 21 | empty |
| 4 | 61 | 0.34 | 0.77 | 13 | empty |
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 P15790
- Elsewhere: RCSB PDB 4JR7 · PDBe 4JR7 · UniProt P15790
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