MolNFT v1 · #109169 · protein

X-ray crystal structure of chalcone synthase from freesia hybrida

4WUM: “X-ray crystal structure of chalcone synthase from freesia hybrida”. X-ray diffraction, 11 pockets (best druggability 0.76). MolNFT v1 #109169 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4WUM
Type: protein
Length: 1,556 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chalcone synthase
EC: 2.3.1.74
UniProt: G3FJ87
Pockets: 11 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Chalcone synthase (EC 2.3.1.74)	protein	389	43% helix, 23% strand	G3FJ87

Pockets

11 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	287	0.76	0.88	49	empty
2	299	0.75	0.87	47	empty
3	752	0.74	0.80	83	empty
4	279	0.72	0.86	46	empty
5	293	0.72	0.85	47	empty

Interfaces

6 interfaces between chains.

C–D · 3098 Å² buried · 64 hydrogen bonds · protein-protein
A–B · 3087 Å² buried · 65 hydrogen bonds · protein-protein
A–C · 501 Å² buried · 2 hydrogen bonds · protein-protein
B–D · 336 Å² buried · 3 hydrogen bonds · protein-protein
A–D · 58 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

4WUM · X-ray crystal structure of Chalcone Synthase from Freesia hybrida · 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
Every structure of UniProt G3FJ87
Elsewhere: RCSB PDB 4WUM · PDBe 4WUM · UniProt G3FJ87

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