MolNFT v1 · #119874 · protein

Crystal structure of drosophila melanogaster dopamine N- acetyltransferase bound to CoA

5GI5 · Dopamine N-acetyltransferase: “Crystal structure of drosophila melanogaster dopamine N- acetyltransferase bound to CoA”. X-ray diffraction, 1 ligand (COA), 1 pocket (best druggability 0.74). MolNFT v1 #119874 on GenesisL1: 3D…

PDB: 5GI5
Type: protein
Length: 209 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dopamine N-acetyltransferase
EC: 2.3.1.87
UniProt: Q94521
Ligands: COA
Pockets: 1 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Dopamine N-acetyltransferase (EC 2.3.1.87)	protein	209	44% helix, 25% strand	Q94521

Ligands and binding sites

COA · Coenzyme A · ligand · chains A
IMD · Imidazole · additive · 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	496	0.74	0.82	59	IMD, COA

Compared structures

5GI5 · Crystal Structure of Drosophila melanogaster Dopamine N-Acetyltransferase Bound to CoA · the same entry in another collection · chain A against A, TM-score 1.00
Q94521 · AlphaFold monomer V2.0 prediction for dopamine N-acetyltransferase (Q94521) · a predicted model of the same protein · chain A against A, TM-score 0.94

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 Q94521
Elsewhere: RCSB PDB 5GI5 · PDBe 5GI5 · UniProt Q94521

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