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Metazoan pre-targeting get complex with sgta (cbuggs)

Analyse Metazoan pre-targeting get complex with sgta (cbuggs) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7RUC
Type
protein
Length
1,344 residues
Chains
7
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ATPase GET3; Golgi to er traffic protein 4 homolog; Large proline-rich protein BAG6…
EC
3.6.-.-
UniProt
Q6IQE5, Q7L5D6, P46379, P11441
Ligands
ATP, MG, ZN
Pockets
18 · best druggability 0.88

Structure

electron microscopy · 6 distinct chains · 58% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AATPase GET3 (EC 3.6.-.-)protein30648% helix, 14% strandQ6IQE5
BATPase GET3 (EC 3.6.-.-)protein30549% helix, 14% strandQ6IQE5
C, FGolgi to er traffic protein 4 homologprotein27175% helix, 0% strandQ7L5D6
DLarge proline-rich protein BAG6protein4353% helix, 0% strandP46379
GLarge proline-rich protein BAG6protein10055% helix, 0% strandP46379
HUbiquitin-like protein 4Aprotein4881% helix, 0% strandP11441

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A, B
  • ZN · Zinc ion · metal · chains A, B

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

Pockets

18 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15760.880.9475ATP, MG
28770.770.8084empty
39180.760.7979empty
41690.610.8321empty
52110.590.8130empty

Interfaces

11 interfaces between chains.

  • A–B · 2397 Ų buried · 30 hydrogen bonds · protein-protein
  • G–H · 1470 Ų buried · 14 hydrogen bonds · protein-protein
  • F–G · 1245 Ų buried · 20 hydrogen bonds · protein-protein
  • C–D · 1195 Ų buried · 22 hydrogen bonds · protein-protein
  • A–C · 1049 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 7RUC · Metazoan pre-targeting GET complex with SGTA (cBUGGS) · the same entry in another collection · chain H against H, TM-score 1.00
  • Q7L5D6 · AlphaFold monomer V2.0 prediction for golgi to er traffic protein 4 homolog (Q7L5D6) · a predicted model of the same protein · chain F against A, TM-score 0.94
  • Q6IQE5 · AlphaFold monomer V2.0 prediction for ATPase GET3 (Q6IQE5) · a predicted model of the same protein · chain A against A, TM-score 0.90
  • P11441 · AlphaFold monomer V2.0 prediction for ubiquitin-like protein 4A (P11441) · a predicted model of the same protein · chain H against A, TM-score 0.83

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