MolNFT v1 · #98378 · protein

Human ARTD3 (PARP3) - catalytic domain in complex with inhibitor ME0400

4L7R · Poly [ADP-ribose] polymerase 3: “Human ARTD3 (PARP3) - catalytic domain in complex with inhibitor ME0400”. X-ray diffraction, 1 ligand (M00), 2 pockets (best druggability 0.75). MolNFT v1 #98378 on GenesisL1: 3D structure, binding…

PDB: 4L7R
Type: protein
Length: 353 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Poly [ADP-ribose] polymerase 3
EC: 2.4.2.30
UniProt: Q9Y6F1
Ligands: M00
Pockets: 2 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Poly [ADP-ribose] polymerase 3 (EC 2.4.2.30)	protein	353	37% helix, 24% strand	Q9Y6F1

Ligands and binding sites

M00 · N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide · ligand · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	487	0.75	0.83	46	M00
2	69	0.33	0.75	18	empty

Compared structures

4L7R · Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0400 · the same entry in another collection · chain A against A, TM-score 1.00
Q9Y6F1 · AlphaFold monomer V2.0 prediction for protein mono-ADP- ribosyltransferase PARP3 (Q9Y6F1) · 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 Q9Y6F1
Elsewhere: RCSB PDB 4L7R · PDBe 4L7R · UniProt Q9Y6F1

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