1C3E

NEW INSIGHTS INTO INHIBITOR DESIGN FROM THE CRYSTAL STRUCTURE AND NMR STUDIES OF E. COLI GAR TRANSFORMYLATE IN COMPLEX WITH BETA-GAR AND 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE	polymer	209	22951.0	2	UniProt (P08179) Pfam (PF00551) In PDB	Escherichia coli
2	A, B	2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID	non-polymer		482.4	2	Chemie (NHR)
3	A, B	GLYCINAMIDE RIBONUCLEOTIDE	non-polymer		284.2	2	Chemie (GAR)
4		water	water		18.0	197	Chemie (HOH)

Sequence modifications

A, B: 1 - 209 (UniProt: P08179)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	45901.9
Non-Polymers*	Number of molecules	4
	Total formula weight	1533.2
All*	Total formula weight	47435.2

*Water molecules are not included.