MolNFT v1 · #154214 · protein

Crystal structure of cx-4945 bound CKA1 from C. neoformans

6K3L · CMGC/CK2 protein kinase: “Crystal structure of cx-4945 bound CKA1 from C. neoformans”. X-ray diffraction, 2 ligands (3NG, SO4), 1 pocket (best druggability 0.68). MolNFT v1 #154214 on GenesisL1: 3D structure, binding sites and…

PDB: 6K3L
Type: protein
Length: 329 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: CMGC/CK2 protein kinase
UniProt: J9VNH4
Ligands: 3NG, SO4
Pockets: 1 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	CMGC/CK2 protein kinase	protein	329	44% helix, 15% strand	J9VNH4

Ligands and binding sites

3NG · 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid · ligand · chains B
SO4 · Sulfate ion · ion · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	382	0.68	0.81	45	3NG

Compared structures

6K3L · Crystal structure of CX-4945 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 6K3L · PDBe 6K3L · UniProt J9VNH4

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