7CY8

Crystal Structure of CMD1 in complex with 5mC-DNA and vitamin C

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Maltodextrin-binding protein,5-methylcytosine-modifying enzyme 1	polymer	917	98913.5	1	UniProt (A0A376KDN7) UniProt (A0A2K3D5Z7) Pfam (PF01547) UniProt (by SIFTS) (P0AEX9)	Escherichia coli	5mC-modifying enzyme 1,Ten-eleven translocation 1 gene protein homolog,CrTET1
2	B, C (C, D)	DNA (5'-D(P*(5CM)P*GP*CP*GP*CP*GP*GP*GP*A)-3')	polymer	14	4311.8	2		synthetic construct
3	D (A)	ASCORBIC ACID	non-polymer		176.1	1	Chemie (ASC)
4	E, F (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5	G (A)	ISOPROPYL ALCOHOL	non-polymer		60.1	1	Chemie (IPA)
6	H (A)	FE (II) ION	non-polymer		55.8	1	Chemie (FE2)
7	I, J, K (A, C, D)	water	water		18.0	198	Chemie (HOH)

Sequence modifications

A: -372 - -7 (UniProt: A0A376KDN7)

PDB	External Database	Details
Met -373	-	initiating methionine
Ala -291	Asp 108	engineered mutation
Ala -290	Lys 109	engineered mutation
Ala -201	Glu 198	engineered mutation
Ala -200	Asn 199	engineered mutation
Ala -134	Lys 265	engineered mutation
Ala -11	Lys 388	engineered mutation
Ala -10	Asp 389	engineered mutation
Asn -6	-	linker
Ala -5	-	linker
Ala -4	-	linker
Arg -3	-	linker
Ala -2	-	linker
Ala -1	-	linker
Ala 0	-	linker

A: 1 - 532 (UniProt: A0A2K3D5Z7)

PDB	External Database	Details
Ala 533	-	expression tag
Ala 534	-	expression tag
Ala 535	-	expression tag
Leu 536	-	expression tag
Glu 537	-	expression tag
His 538	-	expression tag
His 539	-	expression tag
His 540	-	expression tag
His 541	-	expression tag
His 542	-	expression tag
His 543	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	107537.1
Non-Polymers*	Number of molecules	5
	Total formula weight	416.2
All*	Total formula weight	107953.3

*Water molecules are not included.