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CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI HPPK(V83G/DEL84-89) WITH MGAMPCPP AND 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN AT 1.40 ANGSTROM RESOLUTION (MONOCLINIC FORM)

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)	2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase	polymer	152	17094.5	2	UniProt (P26281) Pfam (PF01288)	Escherichia coli	7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase, HPPK, 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, PPPK
2	C, D, H, I (A, B)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
3	E (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	F, J (A, B)	DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER	non-polymer		505.2	2	Chemie (APC)
5	G, K (A, B)	2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE	non-polymer		195.2	2	Chemie (PH2)
6	L, M (A, B)	water	water		18.0	479	Chemie (HOH)

Sequence modifications

A, B: 1 - 158 (UniProt: P26281)

PDB	External Database	Details
Gly 89	Val 83	engineered mutation
-	Arg 84	deletion
-	Lys 85	deletion
-	Ala 86	deletion
-	Glu 87	deletion
-	Arg 88	deletion
-	Trp 89	deletion
-	Arg 84	deletion
-	Lys 85	deletion
-	Ala 86	deletion
-	Glu 87	deletion
-	Arg 88	deletion
-	Trp 89	deletion

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	34189.0
Non-Polymers*	Number of molecules	9
	Total formula weight	1533.4
All*	Total formula weight	35722.4

*Water molecules are not included.