MolNFT v1 · #155272 · protein

Crystal structure of CK2A1 V116I with hematein

6L23 · Casein kinase II subunit alpha: “Crystal structure of CK2A1 V116I with hematein”. X-ray diffraction, 1 ligand (E3U), 3 pockets (best druggability 0.70). MolNFT v1 #155272 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6L23
Type: protein
Length: 334 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: P68400
Ligands: E3U
Pockets: 3 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Casein kinase II subunit alpha (EC 2.7.11.1)	protein	334	42% helix, 15% strand	P68400

Ligands and binding sites

E3U · (6AR)-3,4,6A,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2, 1-c]chromen-9-one · ligand · chains A
EDO · 1,2-ethanediol · additive · 9 copies · chains A

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	434	0.70	0.81	55	E3U
2	58	0.33	0.77	16	EDO
3	63	0.31	0.75	13	empty

Compared structures

6L23 · Crystal structure of CK2a1 V116I with hematein · the same entry in another collection · chain A against A, TM-score 1.00
P68400 · AlphaFold monomer V2.0 prediction for casein kinase II subunit alpha (P68400) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P68400
Elsewhere: RCSB PDB 6L23 · PDBe 6L23 · UniProt P68400

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