4B4V

Crystal structure of Acinetobacter baumannii N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor and inhibitor LY354899

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)	BIFUNCTIONAL PROTEIN FOLD	polymer	303	32146.0	2	UniProt (D0CBC8) Pfam (PF00763) Pfam (PF02882)	ACINETOBACTER BAUMANNII ATCC 19606	N5, N10- METHYLENETETRAHYDROFOLATE DEHYDROGENASE-CYCLOHYDROLASE
2	C, G (A, B)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP)
3	D, H (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
4	E (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5	F, I (A, B)	4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI C ACID	non-polymer		471.4	2	Chemie (L34)
6	J, K (A, B)	water	water		18.0	654	Chemie (HOH)

Sequence modifications

A, B: 1 - 282 (UniProt: D0CBC8)

PDB	External Database	Details
Met -20	-	expression tag
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	64292.0
Non-Polymers*	Number of molecules	7
	Total formula weight	2649.3
All*	Total formula weight	66941.3

*Water molecules are not included.