7W1G

Crystal structure of YfiH with C107A mutation in complex with UDP-MurNAc-L-Serine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Purine nucleoside phosphorylase YfiH	polymer	251	27407.0	4	UniProt (P33644) Pfam (PF02578)	Escherichia coli	Adenosine deaminase YfiH,Polyphenol oxidase YfiH,S-methyl-5'-thioadenosine phosphorylase YfiH
2	E, G (A, B)	(2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid	non-polymer		679.4	2	Chemie (EPZ)
3	F, K (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	H, I, M (B, C)	ACETATE ION	non-polymer		59.0	3	Chemie (ACT)
5	J (B)	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	1	Chemie (TRS)
6	L, N (C, D)	(2S)-2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxypropanoyl]amino]-3-oxidanyl-propanoic acid	non-polymer		766.5	2	Chemie (87E)
7	O, P, Q, R (A, B, C, D)	water	water		18.0	442	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 243 (UniProt: P33644)

PDB	External Database	Details
Ala 107	Cys 107	engineered mutation
Leu 244	-	expression tag
Glu 245	-	expression tag
His 246	-	expression tag
His 247	-	expression tag
His 248	-	expression tag
His 249	-	expression tag
His 250	-	expression tag
His 251	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	109628.0
Non-Polymers*	Number of molecules	10
	Total formula weight	3383.2
All*	Total formula weight	113011.2

*Water molecules are not included.