4OFA

Structural basis for thymine glycosylase activity on T:O6-methylG mismatch by methyl-CpG binding domain protein 4: Implications for roles of Arg468 in mismatch recognition and catalysis

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Methyl-CpG-binding domain protein 4	polymer	192	22486.8	1	UniProt (O95243)	Homo sapiens (human)	Methyl-CpG-binding endonuclease 1, Methyl-CpG-binding protein MBD4, Mismatch-specific DNA N-glycosylase
2	B (C)	12-mer DNA(T)	polymer	12	3648.4	1
3	C (D)	12-mer DNA(G)	polymer	12	3695.4	1
4	D (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
5	E, F, G (A, C, D)	water	water		18.0	221	Chemie (HOH)

Sequence modifications

A: 426 - 580 (UniProt: O95243)

PDB	External Database	Details
Met 389	-	expression tag
Gly 390	-	expression tag
Ser 391	-	expression tag
Ser 392	-	expression tag
His 393	-	expression tag
His 394	-	expression tag
His 395	-	expression tag
His 396	-	expression tag
His 397	-	expression tag
His 398	-	expression tag
Ser 399	-	expression tag
Ser 400	-	expression tag
Gly 401	-	expression tag
Leu 402	-	expression tag
Val 403	-	expression tag
Pro 404	-	expression tag
Arg 405	-	expression tag
Gly 406	-	expression tag
Ser 407	-	expression tag
His 408	-	expression tag
Met 409	-	expression tag
Ala 410	-	expression tag
Ser 411	-	expression tag
Met 412	-	expression tag
Thr 413	-	expression tag
Gly 414	-	expression tag
Gly 415	-	expression tag
Gln 416	-	expression tag
Gln 417	-	expression tag
Met 418	-	expression tag
Gly 419	-	expression tag
Arg 420	-	expression tag
Gly 421	-	expression tag
Ser 422	-	expression tag
Glu 423	-	expression tag
Phe 424	-	expression tag
Met 425	-	expression tag
Asn 560	Asp 560	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	29830.6
Non-Polymers*	Number of molecules	1
	Total formula weight	24.3
All*	Total formula weight	29854.9

*Water molecules are not included.