Research workbench

Twitchin kinase fragment (aplysia), autoregulated protein kinase domain

Analyse Twitchin kinase fragment (aplysia), autoregulated protein kinase domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1KOB
Type: protein
Length: 704 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Twitchin
UniProt: Q16980
Ligands: VAL
Pockets: 10 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Twitchin	protein	352	37% helix, 18% strand	Q16980

Ligands and binding sites

VAL · Valine · ligand · chains A

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

Pockets

10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	262	0.60	0.79	42	empty
2	91	0.60	0.88	21	empty
3	295	0.58	0.77	42	empty
4	104	0.54	0.84	23	empty
5	99	0.46	0.79	14	empty

Interfaces

1 interface between chains.

A–B · 1142 Å² buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

1KOB · Twitchin kinase fragment (aplysia), autoregulated protein kinase domain · the same entry in another collection · chain A against A, 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 Q16980
Elsewhere: RCSB PDB 1KOB · PDBe 1KOB · UniProt Q16980

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