MolNFT v1 · #189291 · protein

Crystal structure of mouse CRY2 in complex with SHP1703 compound

7V8Y · Cryptochrome-2: “Crystal structure of mouse CRY2 in complex with SHP1703 compound”. X-ray diffraction, 1 ligand (5YH), 3 pockets (best druggability 0.76). MolNFT v1 #189291 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 7V8Y
Type: protein
Length: 490 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cryptochrome-2
UniProt: Q9R194
Ligands: 5YH
Pockets: 3 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cryptochrome-2	protein	490	50% helix, 8% strand	Q9R194

Ligands and binding sites

5YH · 1-[(2R)-3-[3,6-bis(fluoranyl)carbazol-9-yl]-2-oxidanyl-propyl]imidazolidin-2-one · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	659	0.76	0.81	46	5YH
2	500	0.71	0.81	44	empty
3	50	0.25	0.73	14	empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

7V8Y · Crystal structure of mouse CRY2 in complex with SHP1703 compound · the same entry in another collection · chain A against A, TM-score 1.00
Q9R194 · AlphaFold monomer V2.0 prediction for cryptochrome-2 (Q9R194) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q9R194
Elsewhere: RCSB PDB 7V8Y · PDBe 7V8Y · UniProt Q9R194

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