MolNFT v1 · #57846 · protein

Crystal structure of a helicobacter pylori proinflammatory kinase ctka

3AKJ: “Crystal structure of a helicobacter pylori proinflammatory kinase ctka”. X-ray diffraction, 10 pockets (best druggability 0.74). MolNFT v1 #57846 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3AKJ
Type: protein
Length: 550 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ctka
EC: 2.7.11.1
UniProt: Q9ZKJ5
Pockets: 10 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Ctka (EC 2.7.11.1)	protein	275	47% helix, 17% strand	Q9ZKJ5

Pockets

10 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	968	0.74	0.77	70	empty
2	165	0.58	0.82	22	empty
3	99	0.47	0.80	20	empty
4	104	0.42	0.77	12	empty
5	86	0.39	0.77	14	empty

Interfaces

1 interface between chains.

A–B · 857 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

3AKJ · Crystal structure of A Helicobacter pylori proinflammatory kinase CtkA · the same entry in another collection · chain A against A, TM-score 1.00
Q9ZKJ5 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase ctka (Q9ZKJ5) · 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 Q9ZKJ5
Elsewhere: RCSB PDB 3AKJ · PDBe 3AKJ · UniProt Q9ZKJ5

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