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Crystal structure of mouse cryptochrome 1 in complex with KL044 compound

Analyse Crystal structure of mouse cryptochrome 1 in complex with KL044 compound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6KX5
Type: protein
Length: 476 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cryptochrome-1
UniProt: P97784
Ligands: DYR
Pockets: 3 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cryptochrome-1	protein	476	49% helix, 7% strand	P97784

Ligands and binding sites

DYR · 2-carbazol-9-yl-N-(2-chloranyl-6-cyano-phenyl) ethanamide · 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	680	0.73	0.79	48	DYR
2	440	0.68	0.80	33	empty
3	86	0.40	0.78	20	empty

Compared structures

6KX5 · Crystal structure of mouse Cryptochrome 1 in complex with KL044 compound · the same entry in another collection · chain A against A, TM-score 1.00
P97784 · AlphaFold monomer V2.0 prediction for cryptochrome-1 (P97784) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P97784
Elsewhere: RCSB PDB 6KX5 · PDBe 6KX5 · UniProt P97784

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