4X1Y

Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	Tubulin alpha chain	polymer	451	50188.4	2	UniProt (D0VWZ0) Pfam (PF00091) Pfam (PF03953) In PDB	Ovis aries (Sheep)
2	B, D	Tubulin beta chain	polymer	445	49969.8	2	UniProt (D0VWY9) Pfam (PF00091) Pfam (PF03953) In PDB	Ovis aries (Sheep)
3	E	Stathmin-4	polymer	142	16719.9	1	UniProt (P63043) Pfam (PF00836) In PDB	Rattus norvegicus (Rat)	Stathmin-like protein B3,RB3
4	A, C	GUANOSINE-5'-TRIPHOSPHATE	non-polymer		523.2	2	Chemie (GTP)
5	A, C	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
6	B, D	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	2	Chemie (GDP)
7	B, D	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide	non-polymer		399.4	2	Chemie (LOC)
8	B, D	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-valinamide	non-polymer		717.9	2	BIRD (PRD_002154) Chemie (3WV)

Sequence modifications

E: 5 - 145 (UniProt: P63043)

PDB	External Database	Details
Ala 4	-	expression tag
Ala 14	Cys 58	engineered mutation
Trp 20	Phe 64	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	217036.4
Non-Polymers*	Number of molecules	10
	Total formula weight	4216.1
All*	Total formula weight	221252.5

*Water molecules are not included.