7G6F: Crystal Structure of rat Autotaxin in complex with (3R)-3-[[2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3-yl]acetyl]amino]-N-methyl-3-(4-nitrophenyl)propanamide, i.e. SMILES c1c(ccc(c1)[C@@H](CC(=O)NC)NC(=O)CN1C=Nc2ccc(cc2C1=O)N1CCN(CC1)C(=O)C)N(=O)=O w

PDB ID: 7G6FDownload
MMDB ID: 256788
PDB Deposition Date: 2023/6/5
Updated in MMDB: 2024/12
Experimental Method:
x-ray diffraction
Resolution: 1.9  Å
Source Organism:
Similar Structures:
Biological Unit for 7G6F: monomeric; determined by author and by software (PISA)
Molecular Components in 7G6F
Label Count Molecule
Protein (1 molecule)
1
Isoform 2 of Ectonucleotide Pyrophosphatase/phosphodiesterase Family Member 2
(Gene symbol: Enpp2)
Molecule annotation
Chemicals and Non-standard biopolymers (14 molecules)
1
2
2-acetamido-2-deoxy-beta-D-glucopyranose2-acetamido-2-deoxy-beta-D-glucopyranose
2
1
beta-D-mannopyranosebeta-D-mannopyranose
3
3
alpha-D-mannopyranosealpha-D-mannopyranose
4
1
(3S)-3-{2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]acetamido}-N-methyl-3-(4-nitrophenyl)propanamide(3S)-3-{2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]acetamido}-N-methyl-3-(4-nitrophenyl)propanamide
5
1
ACETATE IONACETATE ION
6
1
POTASSIUM IONPOTASSIUM ION
7
2
CALCIUM IONCALCIUM ION
8
1
ZINC IONZINC ION
9
1
SODIUM IONSODIUM ION
10
1
CHLORIDE IONCHLORIDE ION
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303