MolNFT v1 · #103669 · protein

G protein-coupled receptor kinase 2 in complex with GSK180736A

4PNK · Beta-adrenergic receptor kinase 1: “G protein-coupled receptor kinase 2 in complex with GSK180736A”. X-ray diffraction, 1 ligand (KZQ), 11 pockets (best druggability 0.79). MolNFT v1 #103669 on GenesisL1: 3D structure, binding sites…

PDB: 4PNK
Type: protein
Length: 1,026 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-adrenergic receptor kinase 1; Guanine nucleotide-binding protein G(I)/G(S)/G(T)…
EC: 2.7.11.15
UniProt: P25098, P62873, P63212
Ligands: KZQ
Pockets: 11 · best druggability 0.79

Structure

x-ray diffraction · 3 distinct chains · 32% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-adrenergic receptor kinase 1 (EC 2.7.11.15)	protein	625	43% helix, 16% strand	P25098
B	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	protein	339	7% helix, 47% strand	P62873
G	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	protein	62	58% helix, 0% strand	P63212

Ligands and binding sites

KZQ · (4S)-4-(4-fluorophenyl)-N-(2H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide · ligand · chains A

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

Pockets

11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	610	0.79	0.85	60	empty
2	303	0.69	0.83	42	KZQ
3	454	0.60	0.75	55	empty
4	203	0.51	0.76	29	empty
5	147	0.44	0.76	24	empty

Interfaces

2 interfaces between chains.

B–G · 2400 Å² buried · 18 hydrogen bonds · protein-protein
A–B · 1135 Å² buried · 15 hydrogen bonds · protein-protein

Compared structures

4PNK · G protein-coupled receptor kinase 2 in complex with GSK180736A · the same entry in another collection · chain A against A, 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 0.99
P25098 · AlphaFold monomer V2.0 prediction for beta-adrenergic receptor kinase 1 (P25098) · a predicted model of the same protein · chain A against A, TM-score 0.98
P63212 · 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 0.64

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 P25098
Every structure of UniProt P62873
Every structure of UniProt P63212
Elsewhere: RCSB PDB 4PNK · PDBe 4PNK · UniProt P25098 · UniProt P62873 · UniProt P63212

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.