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TAB2 nzf domain in complex with LYS63-linked di-ubiquitin, P21

Analyse TAB2 nzf domain in complex with LYS63-linked di-ubiquitin, P21 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2WX0
Type
protein
Length
351 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquitin; Mitogen-activated protein kinase kinase kinase 7-interacting protein 2
UniProt
P62990, Q9NYJ8
Ligands
ZN
Pockets
1 · best druggability 0.76

Structure

x-ray diffraction · 4 distinct chains · 16% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, EUbiquitinprotein7221% helix, 36% strandP62990
B, FUbiquitinprotein7325% helix, 36% strandP62990
CMitogen-activated protein kinase kinase kinase 7-interacting protein 2protein310% helix, 19% strandQ9NYJ8
GMitogen-activated protein kinase kinase kinase 7-interacting protein 2protein300% helix, 20% strandQ9NYJ8

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains C, G

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19780.760.7990empty

Interfaces

9 interfaces between chains.

  • F–G · 466 Ų buried · 6 hydrogen bonds · protein-protein
  • B–C · 450 Ų buried · 7 hydrogen bonds · protein-protein
  • A–C · 399 Ų buried · 6 hydrogen bonds · protein-protein
  • E–G · 352 Ų buried · 5 hydrogen bonds · protein-protein
  • A–F · 275 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 2WX0 · TAB2 NZF DOMAIN IN COMPLEX WITH Lys63-linked di-ubiquitin, P21 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9NYJ8 · AlphaFold monomer V2.0 prediction for TGF-beta-activated kinase 1 and MAP3K7-binding… · a predicted model of the same protein · chain G against A, TM-score 0.85

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