MolNFT v1 · #186905 · protein

Metazoan pre-targeting get complex (cbugg-out)

7RUA · ATPase GET3: “Metazoan pre-targeting get complex (cbugg-out)”. Electron microscopy, 3 ligands (ATP, MG, ZN), 20 pockets (best druggability 0.88). MolNFT v1 #186905 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7RUA
Type: protein
Length: 1,448 residues
Chains: 8
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: 20 · best druggability 0.88

Structure

electron microscopy · 4 distinct chains · 61% helix, 6% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	ATPase GET3 (EC 3.6.-.-)	protein	305	48% helix, 14% strand	Q6IQE5
C, F	Golgi to er traffic protein 4 homolog	protein	271	74% helix, 0% strand	Q7L5D6
D, G	Large proline-rich protein BAG6	protein	100	60% helix, 0% strand	P46379
E, H	Ubiquitin-like protein 4A	protein	48	77% helix, 0% strand	P11441

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

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	510	0.88	0.95	68	ATP, MG
2	863	0.77	0.80	76	empty
3	848	0.77	0.80	74	empty
4	327	0.65	0.80	50	empty
5	239	0.59	0.80	31	empty

Interfaces

13 interfaces between chains.

A–B · 2390 Å² buried · 33 hydrogen bonds · protein-protein
D–E · 1452 Å² buried · 15 hydrogen bonds · protein-protein
G–H · 1441 Å² buried · 14 hydrogen bonds · protein-protein
F–G · 1244 Å² buried · 21 hydrogen bonds · protein-protein
C–D · 1239 Å² buried · 21 hydrogen bonds · protein-protein

Compared structures

7RUA · Metazoan pre-targeting GET complex (cBUGG-out) · 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 C 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 0.89

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q6IQE5
Every structure of UniProt Q7L5D6
Every structure of UniProt P46379
Every structure of UniProt P11441
Elsewhere: RCSB PDB 7RUA · PDBe 7RUA · UniProt Q6IQE5 · UniProt Q7L5D6 · UniProt P46379 · UniProt P11441

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