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MolNFT v1 · #173146 · protein

Crystal structure of human mitogen activated protein kinase 6 (MAPK6)

7AQB · Mitogen-activated protein kinase 6: “Crystal structure of human mitogen activated protein kinase 6 (MAPK6)”. X-ray diffraction, 1 ligand (MG), 4 pockets (best druggability 0.78). MolNFT v1 #173146 on GenesisL1: 3D structure, binding…

PDB
7AQB
Type
protein
Length
568 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mitogen-activated protein kinase 6
EC
2.7.11.24
UniProt
Q16659
Ligands
MG
Pockets
4 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMitogen-activated protein kinase 6 (EC 2.7.11.24)protein29440% helix, 18% strandQ16659
BMitogen-activated protein kinase 6 (EC 2.7.11.24)protein27444% helix, 14% strandQ16659

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A
  • EDO · 1,2-ethanediol · additive · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19690.780.8087empty
24650.660.7862empty
31030.390.7619empty
4720.380.7814empty

Interfaces

1 interface between chains.

  • A–B · 752 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 7AQB · Crystal structure of human mitogen activated protein kinase 6 (MAPK6) · the same entry in another collection · chain A against A, TM-score 1.00
  • Q16659 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase 6 (Q16659) · a predicted model of the same protein · chain B against A, TM-score 0.95

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