3U4S

Histone Lysine demethylase JMJD2A in complex with T11C peptide substrate crosslinked to N-oxalyl-D-cysteine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Lysine-specific demethylase 4A	polymer	381	44326.3	2	UniProt (O75164) Pfam (PF02375) Pfam (PF02373) In PDB	Homo sapiens (human)	JmjC domain-containing histone demethylation protein 3A, Jumonji domain-containing protein 2A
2	C, D	HISTONE 3 TAIL ANALOG (T11C Peptide)	polymer	8	851.1	2	UniProt (P68431) In PDB
3	A, B	NICKEL (II) ION	non-polymer		58.7	2	Chemie (NI)
4	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
5	A, B	N-(carboxycarbonyl)-D-cysteine	non-polymer		193.2	2	Chemie (08P)
6		water	water		18.0	432	Chemie (HOH)

Sequence modifications

A, B: 1 - 359 (UniProt: O75164)

PDB	External Database	Details
Met -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Ser -14	-	expression tag
Ser -13	-	expression tag
Gly -12	-	expression tag
Val -11	-	expression tag
Asp -10	-	expression tag
Leu -9	-	expression tag
Gly -8	-	expression tag
Thr -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Ser 0	-	expression tag

C, D: 7 - 14 (UniProt: P68431)

PDB	External Database	Details
Cys 11	Thr 12	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	90354.6
Non-Polymers*	Number of molecules	6
	Total formula weight	634.6
All*	Total formula weight	90989.2

*Water molecules are not included.