MolNFT v2 · #222119 · protein

Cryo-EM Structure of the Ro5256390-bound hTA1-Gs heterotrimer signaling complex

8UHB · Soluble cytochrome b562,Beta-2 adrenergic receptor,Trace…: “Cryo-EM Structure of the Ro5256390-bound hTA1-Gs heterotrimer signaling complex”. Electron microscopy at 3.35, 1 ligand (WV8), 13 pockets (best druggability 0.80). MolNFT…

PDB: 8UHB
Type: protein
Length: 1,075 residues
Chains: 5
Method: electron microscopy
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 3.35
Source: Homo sapiens; Lama glama; Rattus norvegicus
Molecule: Soluble cytochrome b562,Beta-2 adrenergic receptor,Trace amine-associated receptor 1…
UniProt: P0ABE7, P07550, Q96RJ0, P62873, P63095, P59768
Ligands: WV8
Pockets: 13 · best druggability 0.80

Structure

electron microscopy · resolution 3.35 · 5 distinct chains · 35% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Soluble cytochrome b562,Beta-2 adrenergic receptor,Trace amine-associated receptor 1	protein	316	72% helix, 0% strand	P0ABE7, P07550, Q96RJ0
B	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	protein	338	8% helix, 44% strand	P62873
C	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	protein	236	36% helix, 11% strand	P63095
G	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	protein	57	61% helix, 0% strand	P59768
N	Nanobody 35	protein	128	5% helix, 43% strand	—

Ligands and binding sites

WV8 · (2R,4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-amine · ligand · chains A

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

Pockets

13 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	598	0.80	0.85	58	empty
2	468	0.77	0.85	57	WV8
3	688	0.76	0.81	60	empty
4	916	0.75	0.79	61	empty
5	204	0.71	0.87	33	empty

Interfaces

7 interfaces between chains.

B–G · 2257 Å² buried · 18 hydrogen bonds · protein-protein
B–C · 1492 Å² buried · 20 hydrogen bonds · protein-protein
A–C · 1415 Å² buried · 12 hydrogen bonds · protein-protein
C–N · 935 Å² buried · 10 hydrogen bonds · protein-protein
B–N · 558 Å² buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

P62873 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(T)… · a predicted model of the same protein · chain B against A, TM-score 0.99
P59768 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(O)… · a predicted model of the same protein · chain G against A, TM-score 0.96
Q96RJ0 · AlphaFold monomer V2.0 prediction for trace amine-associated receptor 1 (Q96RJ0) · a predicted model of the same protein · chain A against A, TM-score 0.88
P63095 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(S) subunit… · a predicted model of the same protein · chain C against A, TM-score 0.84
P07550 · AlphaFold monomer V2.0 prediction for beta-2 adrenergic receptor (P07550) · a predicted model of the same protein · chain A against A, TM-score 0.84
P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain A against A, TM-score 0.25

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 P0ABE7
Every structure of UniProt P07550
Every structure of UniProt Q96RJ0
Every structure of UniProt P62873
Every structure of UniProt P63095
Every structure of UniProt P59768
Elsewhere: RCSB PDB 8UHB · PDBe 8UHB · UniProt P0ABE7 · UniProt P07550 · UniProt Q96RJ0 · UniProt P62873 · UniProt P63095 · UniProt P59768

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