MolNFT v1 · #3894 · protein

Chalone synthase (N336A mutant complexed with CoA)

1D6H · Chalcone synthase: “Chalone synthase (N336A mutant complexed with CoA)”. X-ray diffraction, 2 ligands (COA, SO4), 1 pocket (best druggability 0.61). MolNFT v1 #3894 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1D6H
Type: protein
Length: 387 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: 1 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Chalcone synthase (EC 2.3.1.74)	protein	387	44% helix, 22% 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

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	224	0.61	0.81	30	COA

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

1D6H · Chalone synthase (N336A mutant complexed with CoA) · 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 1D6H · PDBe 1D6H · UniProt P30074

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