MolNFT v1 · #165096 · protein

Crystal structure of the computationally designed CAKE6 protein

6TJF: “Crystal structure of the computationally designed CAKE6 protein”. X-ray diffraction, 14 pockets (best druggability 0.77). MolNFT v1 #165096 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6TJF
Type: protein
Length: 1,440 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: CAKE6
Pockets: 14 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F	CAKE6	protein	240	0% helix, 43% strand	—

Ligands and binding sites

GOL · Glycerol · additive · 7 copies · chains A, E, B, C, D, F

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	654	0.77	0.83	82	empty
2	115	0.74	0.95	33	empty
3	385	0.72	0.84	60	GOL
4	57	0.71	0.98	19	empty
5	495	0.65	0.77	32	empty

Interfaces

11 interfaces between chains.

A–E · 2247 Å² buried · 34 hydrogen bonds · protein-protein
B–C · 2163 Å² buried · 27 hydrogen bonds · protein-protein
C–D · 1810 Å² buried · 26 hydrogen bonds · protein-protein
E–F · 1692 Å² buried · 27 hydrogen bonds · protein-protein
B–D · 715 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

6TJF · Crystal structure of the computationally designed Cake6 protein · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 6TJF · PDBe 6TJF

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