MolNFT v1 · #96667 · protein

Crystal structure of SCCK2 alpha in complex with amppn

4JQE · Casein kinase II subunit alpha: “Crystal structure of SCCK2 alpha in complex with amppn”. X-ray diffraction, 1 ligand (ANP), 4 pockets (best druggability 0.69). MolNFT v1 #96667 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 4JQE
Type: protein
Length: 369 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: ANP
Pockets: 4 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Casein kinase II subunit alpha (EC 2.7.11.1)	protein	369	40% helix, 14% strand	P15790

Ligands and binding sites

ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	375	0.69	0.82	45	ANP
2	140	0.56	0.82	21	empty
3	61	0.44	0.82	21	empty
4	52	0.32	0.77	13	empty

Compared structures

4JQE · Crystal structure of scCK2 alpha in complex with AMPPN · the same entry in another collection · chain A against A, TM-score 1.00
P15790 · AlphaFold monomer V2.0 prediction for casein kinase II subunit alpha (P15790) · 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 P15790
Elsewhere: RCSB PDB 4JQE · PDBe 4JQE · UniProt P15790

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