MolNFT v1 · #107691 · protein

Thermostabilised human A2A receptor with CGS21680 bound

4UHR: “Thermostabilised human A2A receptor with CGS21680 bound”. X-ray diffraction, 1 ligand (NGI), 3 pockets (best druggability 0.72). MolNFT v1 #107691 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4UHR
Type: protein
Length: 310 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thermostabilised human A2A receptor
UniProt: P29274
Ligands: NGI
Pockets: 3 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 80% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Thermostabilised human A2A receptor	protein	310	80% helix, 1% strand	P29274

Ligands and binding sites

NGI · 2-[P-(2-carboxyethyl)phenylethyl-amino]-5'-N-ethylcarboxamido adenosine · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	200	0.72	0.88	30	NGI
2	203	0.49	0.76	25	empty
3	88	0.41	0.77	16	empty

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

4UHR · Thermostabilised HUMAN A2a Receptor with CGS21680 bound · the same entry in another collection · chain A against A, TM-score 1.00
P29274 · AlphaFold monomer V2.0 prediction for adenosine receptor A2A (P29274) · a predicted model of the same protein · chain A against A, TM-score 0.92

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 P29274
Elsewhere: RCSB PDB 4UHR · PDBe 4UHR · UniProt P29274

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