MolNFT v1 · #111676 · protein

Computationally designed left-handed ALPHA/ALPHA toroid with 9 repeats; two linked rings of 12 repeats each structure

4YXY · DTOR_9X31L: “Computationally designed left-handed ALPHA/ALPHA toroid with 9 repeats; two linked rings of 12 repeats each…”. X-ray diffraction, 4 pockets (best druggability 0.54). MolNFT v1 #111676 on GenesisL1: 3D structure, binding…

PDB: 4YXY
Type: protein
Length: 364 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DTOR_9X31L
Pockets: 4 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 77% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	DTOR_9X31L	protein	91	77% helix, 0% strand	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	53	0.54	0.89	20	empty
2	92	0.42	0.78	18	empty
3	90	0.38	0.76	19	empty
4	64	0.33	0.76	17	empty

Interfaces

4 interfaces between chains.

A–D · 398 Å² buried · 0 hydrogen bonds · protein-protein
B–C · 371 Å² buried · 0 hydrogen bonds · protein-protein
B–D · 328 Å² buried · 1 hydrogen bond · protein-protein
A–C · 308 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

4YXY · Computationally designed left-handed alpha/alpha toroid with 9 repeats; two linked rings… · 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 4YXY · PDBe 4YXY

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