MolNFT v1 · #146928 · protein

Crystal structure of chalcone synthase from equisetum arvense

6DX9: “Crystal structure of chalcone synthase from equisetum arvense”. X-ray diffraction, 6 pockets (best druggability 0.67). MolNFT v1 #146928 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6DX9
Type: protein
Length: 783 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chalcone synthase
EC: 2.3.1.74
UniProt: Q9MBB1
Pockets: 6 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Chalcone synthase (EC 2.3.1.74)	protein	392	41% helix, 23% strand	Q9MBB1
B	Chalcone synthase (EC 2.3.1.74)	protein	391	43% helix, 23% strand	Q9MBB1

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	258	0.67	0.83	36	empty
2	274	0.66	0.82	31	empty
3	279	0.59	0.79	32	empty
4	294	0.57	0.77	36	empty
5	62	0.36	0.78	23	empty

Interfaces

1 interface between chains.

A–B · 2991 Å² buried · 59 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (oxidation).

Compared structures

6DX9 · Crystal structure of chalcone synthase from Equisetum arvense · the same entry in another collection · chain A against A, TM-score 1.00
Q9MBB1 · AlphaFold monomer V2.0 prediction for chalcone synthase (Q9MBB1) · 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 Q9MBB1
Elsewhere: RCSB PDB 6DX9 · PDBe 6DX9 · UniProt Q9MBB1

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