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MolNFT v1 · #47462 · protein

Structure of P38ALPHA complex

2OZA · MAP kinase-activated protein kinase 2: “Structure of P38ALPHA complex”. X-ray diffraction, 11 pockets (best druggability 0.89). MolNFT v1 #47462 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2OZA
Type
protein
Length
672 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
MAP kinase-activated protein kinase 2; Mitogen-activated protein kinase 14
EC
2.7.11.1, 2.7.11.24
UniProt
P49137, P47811
Pockets
11 · best druggability 0.89

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMAP kinase-activated protein kinase 2 (EC 2.7.11.1)protein33238% helix, 19% strandP49137
BMitogen-activated protein kinase 14 (EC 2.7.11.24)protein34037% helix, 12% strandP47811

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110710.890.91137empty
21560.590.8321empty
31290.540.8222empty
41300.540.8217empty
52060.470.7537empty

Interfaces

1 interface between chains.

  • A–B · 3350 Ų buried · 55 hydrogen bonds · protein-protein

Compared structures

  • 2OZA · Structure of p38alpha complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P47811 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase 14 (P47811) · a predicted model of the same protein · chain B against A, TM-score 0.98

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