MolNFT v1 · #154844 · protein
Crystal structure of amppnp bound CKA1 from C. neoformans
6KO6 · CMGC/CK2 protein kinase: “Crystal structure of amppnp bound CKA1 from C. neoformans”. X-ray diffraction, 3 ligands (ANP, MG, SO4), 3 pockets (best druggability 0.74). MolNFT v1 #154844 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6KO6
- Type
- protein
- Length
- 330 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CMGC/CK2 protein kinase
- UniProt
- J9VNH4
- Ligands
- ANP, MG, SO4
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | CMGC/CK2 protein kinase | protein | 330 | 43% helix, 15% strand | J9VNH4 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains B
- MG · Magnesium ion · metal · chains B
- SO4 · Sulfate ion · ion · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 604 | 0.74 | 0.81 | 55 | ANP, MG, SO4 |
| 2 | 60 | 0.42 | 0.81 | 16 | empty |
| 3 | 51 | 0.32 | 0.76 | 12 | empty |
Compared structures
- 6KO6 · Crystal structure of AMPPNP bound Cka1 from C. neoformans · the same entry in another collection · chain B against B, TM-score 1.00
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 J9VNH4
- Elsewhere: RCSB PDB 6KO6 · PDBe 6KO6 · UniProt J9VNH4
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