MolNFT v1 · #73605 · protein

Robust computational design, optimization, and structural characterization of retroaldol enzymes

3O6Y · Retro-aldolase: “Robust computational design, optimization, and structural characterization of retroaldol enzymes”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.81). MolNFT v1 #73605 on GenesisL1: 3D structure…

PDB: 3O6Y
Type: protein
Length: 248 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Retro-aldolase
Ligands: SO4
Pockets: 1 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
X	Retro-aldolase	protein	248	40% helix, 16% strand	—

Ligands and binding sites

SO4 · Sulfate ion · ion · 3 copies · chains X

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	293	0.81	0.92	39	SO4

Compared structures

3O6Y · Robust computational design, optimization, and structural characterization of retroaldol… · the same entry in another collection · chain X against X, 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 3O6Y · PDBe 3O6Y

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