4R7W

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

Replaces:  4JNS

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	CA, G, L, O, U... (F, A, B, C, D...)	FE (II) ION	non-polymer		55.8	6	Chemie (FE2)
3	DA, H, M, P, V... (F, A, B, C, D...)	(2R)-2-amino-2,5-dihydro-1,5,2-diazaphosphinin-6(1H)-one 2-oxide	non-polymer		147.1	6	Chemie (O7U)
4	BA, I, R, S, W (E, A, C, D)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	5	Chemie (PEG)
5	AA, J, K, N, T... (E, A, B, C, D)	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
6	Q (C)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
7	EA, FA, GA, HA, IA... (A, B, C, D, E...)	water	water		18.0	1514	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	24
	Total formula weight	2212.6
All*	Total formula weight	290617.3

*Water molecules are not included.