MolNFT v1 · #94765 · protein

A vertebrate cryptochrome with FAD

4I6G · Cryptochrome-2: “A vertebrate cryptochrome with FAD”. X-ray diffraction, 1 ligand (FAD), 7 pockets (best druggability 0.75). MolNFT v1 #94765 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4I6G
Type: protein
Length: 952 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cryptochrome-2
UniProt: Q9R194
Ligands: FAD
Pockets: 7 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cryptochrome-2	protein	476	49% helix, 7% strand	Q9R194
B	Cryptochrome-2	protein	476	48% helix, 7% strand	Q9R194

Ligands and binding sites

FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	667	0.75	0.81	66	FAD
2	624	0.72	0.79	47	empty
3	568	0.72	0.80	43	empty
4	450	0.70	0.81	37	FAD
5	354	0.70	0.82	36	empty

Interfaces

1 interface between chains.

A–B · 875 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

4I6G · a vertebrate cryptochrome with FAD · 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 B 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 Q9R194
Elsewhere: RCSB PDB 4I6G · PDBe 4I6G · UniProt Q9R194

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