8AT1

CRYSTAL STRUCTURES OF ASPARTATE CARBAMOYLTRANSFERASE LIGATED WITH PHOSPHONOACETAMIDE, MALONATE, AND CTP OR ATP AT 2.8-ANGSTROMS RESOLUTION AND NEUTRAL P*H

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	ASPARTATE CARBAMOYLTRANSFERASE (R STATE), CATALYTIC CHAIN	polymer	310	34337.1	2	UniProt (P0A786) Pfam (PF02729) Pfam (PF00185) In PDB	Escherichia coli
2	B, D	ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN	polymer	153	17072.5	2	UniProt (P0A7F3) Pfam (PF01948) Pfam (PF02748) In PDB	Escherichia coli
3	E, F	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose	branched		342.3	2	In PDB BIRD (PRD_900001) GlyTouCan (G07411ON)		alpha-maltose
4	A, C	PHOSPHONOACETAMIDE	non-polymer		139.0	2	Chemie (PCT)
5	B, D	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
6	B, D	CYTIDINE-5'-TRIPHOSPHATE	non-polymer		483.2	2	Chemie (CTP)

Sequence modifications

A, C: 1 - 310 (UniProt: P0A786)

PDB	External Database	Details
Gln 60	Glu 60	conflict
Gln 147	Glu 147	conflict
Glu 149	Gln 149	conflict
Glu 196	Gln 196	conflict

B, D: 2 - 153 (UniProt: P0A7F3)

PDB	External Database	Details
Gly 8	Gln 7	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	102819.3
Branched	Number of molecules	2
	Total formula weight	684.6
Non-Polymers*	Number of molecules	6
	Total formula weight	1375.2
All*	Total formula weight	104879.1

*Water molecules are not included.