MolNFT v1 · #14233 · protein

Crystal structure of 1,8-di-hydroxy-4-nitro-xanten-9- ONE/CK2 kinase complex

1M2Q · Casein kinase II, alpha chain: “Crystal structure of 1,8-di-hydroxy-4-nitro-xanten-9- ONE/CK2 kinase complex”. X-ray diffraction, 1 ligand (MNX), 3 pockets (best druggability 0.64). MolNFT v1 #14233 on GenesisL1: 3D structure…

PDB: 1M2Q
Type: protein
Length: 327 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Casein kinase II, alpha chain
EC: 2.7.1.37
UniProt: P28523
Ligands: MNX
Pockets: 3 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Casein kinase II, alpha chain (EC 2.7.1.37)	protein	327	43% helix, 14% strand	P28523

Ligands and binding sites

MNX · 1,8-di-hydroxy-4-nitro-xanthen-9-one · ligand · 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	235	0.64	0.82	34	MNX
2	60	0.50	0.85	17	empty
3	121	0.47	0.79	27	empty

Compared structures

1M2Q · Crystal structure of 1,8-di-hydroxy-4-nitro-xanten-9-one/CK2 kinase complex · the same entry in another collection · chain A against A, TM-score 1.00
P28523 · AlphaFold monomer V2.0 prediction for casein kinase II subunit alpha (P28523) · 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 P28523
Elsewhere: RCSB PDB 1M2Q · PDBe 1M2Q · UniProt P28523

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