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Crystal structure of the ferm-SH2 domains of JAK2

Analyse Crystal structure of the ferm-SH2 domains of JAK2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4Z32
Type
protein
Length
3,396 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tyrosine-protein kinase JAK2
EC
2.7.10.2
UniProt
O60674
Pockets
20 · best druggability 0.80

Structure

x-ray diffraction · 7 distinct chains · 36% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BTyrosine-protein kinase JAK2 (EC 2.7.10.2)protein44134% helix, 27% strandO60674
CTyrosine-protein kinase JAK2 (EC 2.7.10.2)protein41837% helix, 21% strandO60674
DTyrosine-protein kinase JAK2 (EC 2.7.10.2)protein41736% helix, 22% strandO60674
ETyrosine-protein kinase JAK2 (EC 2.7.10.2)protein42735% helix, 26% strandO60674
FTyrosine-protein kinase JAK2 (EC 2.7.10.2)protein43635% helix, 24% strandO60674
GTyrosine-protein kinase JAK2 (EC 2.7.10.2)protein41137% helix, 23% strandO60674
HTyrosine-protein kinase JAK2 (EC 2.7.10.2)protein40536% helix, 22% strandO60674

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13900.800.8947empty
24080.800.8852empty
34170.800.8857empty
44210.800.8853empty
53770.800.8951empty

Interfaces

14 interfaces between chains.

  • E–F · 1323 Ų buried · 15 hydrogen bonds · protein-protein
  • A–B · 1298 Ų buried · 15 hydrogen bonds · protein-protein
  • C–D · 1286 Ų buried · 16 hydrogen bonds · protein-protein
  • G–H · 1268 Ų buried · 13 hydrogen bonds · protein-protein
  • B–G · 788 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 4Z32 · Crystal Structure of the FERM-SH2 Domains of Jak2 · the same entry in another collection · chain B against B, TM-score 1.00

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