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Crystal structure of SERINE/THREONINE-protein kinase pak 4 in complex with paktide T peptide substrate

Analyse Crystal structure of SERINE/THREONINE-protein kinase pak 4 in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4JDH
Type
protein
Length
299 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SERINE/THREONINE-protein kinase pak 4; Paktide T
EC
2.7.11.1
UniProt
O96013
Pockets
2 · best druggability 0.59

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASERINE/THREONINE-protein kinase pak 4 (EC 2.7.11.1)protein29042% helix, 19% strandO96013
BPaktide Tprotein90% helix, 22% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12190.590.8132empty
2500.360.8016empty

Interfaces

1 interface between chains.

  • A–B · 824 Ų buried · 18 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

  • 4JDH · Crystal structure of Serine/threonine-protein kinase PAK 4 in complex with Paktide T… · the same entry in another collection · chain A against A, TM-score 1.00
  • O96013 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase pak 4 (O96013) · a predicted model of the same protein · chain A against A, TM-score 0.98

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