4R88

Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with 5-fluorocytosine

Replaces:  4JNR

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, E... (A, B, C, D, E...)	Cytosine deaminase	polymer	431	48067.5	6	UniProt (W8V4R8)	Klebsiella pneumoniae
2	DA, G, GB, LA, S... (C, A, F, D, B...)	5-fluorocytosine	non-polymer		129.1	6	Chemie (1LD)
3	EA, H, HB, MA, T... (C, A, F, D, B...)	FE (II) ION	non-polymer		55.8	6	Chemie (FE2)
4	FA, FB, GA, HA, I... (C, F, A, D, B...)	GLYCEROL	non-polymer		92.1	18	Chemie (GOL)
5	AB, BB, CB, IA, JB... (E, C, F, A, D...)	ACETIC ACID	non-polymer		60.1	10	Chemie (ACY)
6	AA, BA, CA, EB, JA... (B, E, C, A, D)	1,2-ETHANEDIOL	non-polymer		62.1	15	Chemie (EDO)
7	LB, W (F, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
8	DB (E)	CITRATE ANION	non-polymer		189.1	1	Chemie (FLC)
9	MB, NB, OB, PB, QB... (A, B, C, D, E...)	water	water		18.0	1148	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: 1 - 412 (UniProt: W8V4R8)

PDB	External Database	Details
Asn 413	-	expression tag
Ser 414	-	expression tag
Ser 415	-	expression tag
Ser 416	-	expression tag
Val 417	-	expression tag
Asp 418	-	expression tag
Lys 419	-	expression tag
Leu 420	-	expression tag
Ala 421	-	expression tag
Ala 422	-	expression tag
Ala 423	-	expression tag
Leu 424	-	expression tag
Glu 425	-	expression tag
His 426	-	expression tag
His 427	-	expression tag
His 428	-	expression tag
His 429	-	expression tag
His 430	-	expression tag
His 431	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	288404.7
Non-Polymers*	Number of molecules	58
	Total formula weight	4700.2
All*	Total formula weight	293104.9

*Water molecules are not included.