4X1Y: Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications

PDB ID: 4X1YDownload
MMDB ID: 128118
PDB Deposition Date: 2014/11/25
Updated in MMDB: 2023/10
Experimental Method:
x-ray diffraction
Resolution: 3.19  Å
Source Organism:
Rattus norvegicus▼
Similar Structures:
Biological Unit for 4X1Y: pentameric; determined by author and by software (PISA)
Molecular Components in 4X1Y
Label Count Molecule
Proteins (5 molecules)
2
Tubulin Alpha Chain
Molecule annotation
2
Tubulin Beta Chain
Molecule annotation
1
Stathmin-4
Molecule annotation
Chemicals and Non-standard biopolymers (10 molecules)
1
2
GUANOSINE-5'-TRIPHOSPHATEGUANOSINE-5'-TRIPHOSPHATE
2
2
MAGNESIUM IONMAGNESIUM ION
3
2
GUANOSINE-5'-DIPHOSPHATEGUANOSINE-5'-DIPHOSPHATE
4
2
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamideN-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide
5
2
N,2-dimethyl-L-alanyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamideN,2-dimethyl-L-alanyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide
* 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