MolNFT v1 · #2224 · protein

Chalcone synthase from alfalfa with coenzyme a

1BQ6: “Chalcone synthase from alfalfa with coenzyme a”. X-ray diffraction, 2 ligands (COA, SO4), 2 pockets (best druggability 0.72). MolNFT v1 #2224 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1BQ6
Type: protein
Length: 388 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chalcone synthase
EC: 2.3.1.74
UniProt: P30074
Ligands: COA, SO4
Pockets: 2 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Chalcone synthase (EC 2.3.1.74)	protein	388	43% helix, 21% strand	P30074

Ligands and binding sites

COA · Coenzyme A · ligand · chains A
SO4 · Sulfate ion · ion · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	136	0.72	0.92	33	empty
2	216	0.57	0.79	27	COA

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

1BQ6 · Chalcone synthase from alfalfa with coenzyme a · the same entry in another collection · chain A against A, TM-score 1.00
P30074 · AlphaFold monomer V2.0 prediction for chalcone synthase 2 (P30074) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P30074
Elsewhere: RCSB PDB 1BQ6 · PDBe 1BQ6 · UniProt P30074

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