MolNFT v1 · #190688 · protein

Tshr-gs-M22 antibody-ML109 complex

7XW6 · Guanine nucleotide-binding protein G(S) subunit alpha…: “Tshr-gs-M22 antibody-ML109 complex”. Electron microscopy, 4 ligands (CLR, PLM, HOI), 17 pockets (best druggability 0.83). MolNFT v1 #190688 on GenesisL1: 3D structure, binding…

PDB: 7XW6
Type: protein
Length: 1,550 residues
Chains: 7
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Guanine nucleotide-binding protein G(S) subunit alpha isoforms short; Guanine…
UniProt: P62873, P59768, P16473
Ligands: CLR, PLM, HOI, NAG
Pockets: 17 · best druggability 0.83

Structure

electron microscopy · 7 distinct chains · 27% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Guanine nucleotide-binding protein G(S) subunit alpha isoforms short	protein	233	48% helix, 18% strand	—
B	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	protein	338	8% helix, 48% strand	P62873
G	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	protein	57	58% helix, 0% strand	P59768
L	M22 antibody light chain	protein	112	7% helix, 47% strand	—
N	NANOBODY35	protein	128	7% helix, 45% strand	—
R	Thyrotropin receptor	protein	562	41% helix, 16% strand	P16473
Y	M22 antibody heavy chain	protein	120	5% helix, 53% strand	—

Ligands and binding sites

CLR · Cholesterol · ligand · 17 copies · chains R
PLM · Palmitic acid · ligand · 5 copies · chains R
HOI · ~{N}-[4-[[2-methoxy-5-[(2~{S})-5-oxidanyl-4-oxidanylidene-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]phenyl]methoxy]phenyl]ethanamide · ligand · chains R
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains R

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

Pockets

17 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	925	0.83	0.85	78	empty
2	477	0.83	0.89	49	HOI
3	889	0.76	0.80	59	empty
4	902	0.75	0.79	73	empty
5	290	0.69	0.84	47	empty

Interfaces

9 interfaces between chains.

B–G · 2219 Å² buried · 17 hydrogen bonds · protein-protein
A–B · 1497 Å² buried · 23 hydrogen bonds · protein-protein
A–R · 1073 Å² buried · 4 hydrogen bonds · protein-protein
L–Y · 1063 Å² buried · 8 hydrogen bonds · protein-protein
A–N · 936 Å² buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide, 4 glycan (disulfide, N-glycosylation).

Compared structures

7XW6 · TSHR-Gs-M22 antibody-ML109 complex · the same entry in another collection · chain Y against Y, TM-score 1.00
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 1.00
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 0.93
P16473 · AlphaFold monomer V2.0 prediction for thyrotropin receptor (P16473) · a predicted model of the same protein · chain R 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 P62873
Every structure of UniProt P59768
Every structure of UniProt P16473
Elsewhere: RCSB PDB 7XW6 · PDBe 7XW6 · UniProt P62873 · UniProt P59768 · UniProt P16473

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