MolNFT v1 · #83314 · protein

The crystal structure of yisp from bacillus subtilis subsp. subtilis strain 168

3WE9 · Putative PHYTOENE/SQUALENE synthase yisp: “The crystal structure of yisp from bacillus subtilis subsp. subtilis strain 168”. X-ray diffraction, 2 pockets (best druggability 0.78). MolNFT v1 #83314 on GenesisL1: 3D structure, binding…

PDB: 3WE9
Type: protein
Length: 247 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative PHYTOENE/SQUALENE synthase yisp
EC: 2.5.1.-
UniProt: O06728
Pockets: 2 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 74% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative PHYTOENE/SQUALENE synthase yisp (EC 2.5.1.-)	protein	247	74% helix, 0% strand	O06728

Ligands and binding sites

PGE · Triethylene glycol · additive · chains A

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

Pockets

2 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	499	0.78	0.85	49	PGE
2	87	0.50	0.83	19	empty

Compared structures

3WE9 · The crystal structure of YisP from Bacillus subtilis subsp. subtilis strain 168 · the same entry in another collection · chain A against A, TM-score 1.00
O06728 · AlphaFold monomer V2.0 prediction for putative PHYTOENE/SQUALENE synthase yisp (O06728) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 O06728
Elsewhere: RCSB PDB 3WE9 · PDBe 3WE9 · UniProt O06728

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