MolNFT v1 · #165082 · protein

Crystal structure of a de novo designed hexameric helical-bundle protein

6TJ1 · De novo designed WSHC6: “Crystal structure of a de novo designed hexameric helical-bundle protein”. X-ray diffraction, 4 pockets (best druggability 0.48). MolNFT v1 #165082 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6TJ1
Type: protein
Length: 223 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: De novo designed WSHC6; Purification tag
Pockets: 4 · best druggability 0.48

Structure

x-ray diffraction · 4 distinct chains · 80% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	De novo designed WSHC6	protein	71	82% helix, 0% strand	—
B	De novo designed WSHC6	protein	72	82% helix, 0% strand	—
C	De novo designed WSHC6	protein	74	82% helix, 0% strand	—
D	Purification tag	protein	6	0% helix, 0% strand	—

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	133	0.48	0.78	15	empty
2	80	0.42	0.79	13	empty
3	65	0.38	0.78	14	empty
4	51	0.31	0.76	10	empty

Interfaces

4 interfaces between chains.

A–B · 1282 Å² buried · 7 hydrogen bonds · protein-protein
B–C · 1266 Å² buried · 4 hydrogen bonds · protein-protein
A–D · 321 Å² buried · 0 hydrogen bonds · protein-protein
A–C · 38 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

6TJ1 · Crystal structure of a de novo designed hexameric helical-bundle 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 6TJ1 · PDBe 6TJ1

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