6FBA

Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 2,3-naphthalenediol

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Aspartate transcarbamoylase	polymer	349	40350.8	2	UniProt (O15804) Pfam (PF02729) Pfam (PF00185)	Plasmodium falciparum (malaria parasite P. falciparum)
2	C (C)	Aspartate transcarbamoylase	polymer	349	40366.8	1	UniProt (O15804) Pfam (PF02729) Pfam (PF00185)	Plasmodium falciparum (malaria parasite P. falciparum)
3	D, K (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	E, L, O (A, B, C)	naphthalene-2,3-diol	non-polymer		160.2	3	Chemie (D48)
5	F, M, P (A, B, C)	DIMETHYL SULFOXIDE	non-polymer		78.1	3	Chemie (DMS)
6	G, H, R (A, C)	MALONATE ION	non-polymer		102.0	3	Chemie (MLI)
7	I, S (A, C)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
8	J (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
9	N, Q (B, C)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
10	T, U, V (A, B, C)	water	water		18.0	142	Chemie (HOH)

Sequence modifications

A, B: 37 - 375 (UniProt: O15804)

PDB	External Database	Details
Ser 376	-	expression tag
Ala 377	-	expression tag
Trp 378	-	expression tag
Ser 379	-	expression tag
His 380	-	expression tag
Pro 381	-	expression tag
Gln 382	-	expression tag
Phe 383	-	expression tag
Glu 384	-	expression tag
Lys 385	-	expression tag

C: 37 - 375 (UniProt: O15804)

PDB	External Database	Details
Ser 376	-	expression tag
Ala 377	-	expression tag
Trp 378	-	expression tag
Ser 379	-	expression tag
His 380	-	expression tag
Pro 381	-	expression tag
Gln 382	-	expression tag
Phe 383	-	expression tag
Glu 384	-	expression tag
Lys 385	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	121068.3
Non-Polymers*	Number of molecules	16
	Total formula weight	1632.6
All*	Total formula weight	122700.9

*Water molecules are not included.