22TG

Crystal Structure of MYST histone acetyltransferase KAT6A in complex with Compound 20

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, C)	Histone acetyltransferase KAT8	polymer	295	34532.7	2	UniProt (Q9H7Z6) Pfam (PF17772) Pfam (PF01853)	Homo sapiens (human)	Lysine acetyltransferase 8,MOZ,YBF2/SAS3,SAS2 and TIP60 protein 1,MYST-1,Males-absent on the first protein homolog,hMOF,Protein acetyltransferase KAT8,Protein propionyltransferase KAT8
2	C, D (A, C)	2,6-dimethoxy-~{N}-[4-(pyrazol-1-ylmethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-yl]benzenesulfonamide	non-polymer		456.5	2	Chemie (A1MDU)
3	E, F (A, C)	water	water		18.0	121	Chemie (HOH)

Sequence modifications

A, C: 504 - 779 (UniProt: Q9H7Z6)

PDB	External Database	Details
Met 485	-	initiating methionine
Gly 486	-	expression tag
Ser 487	-	expression tag
Ser 488	-	expression tag
His 489	-	expression tag
His 490	-	expression tag
His 491	-	expression tag
His 492	-	expression tag
His 493	-	expression tag
His 494	-	expression tag
Ser 495	-	expression tag
Ser 496	-	expression tag
Gly 497	-	expression tag
Leu 498	-	expression tag
Val 499	-	expression tag
Pro 500	-	expression tag
Arg 501	-	expression tag
Gly 502	-	expression tag
Ser 503	-	expression tag
His 579	Tyr 249	engineered mutation
Ser 645	Ala 315	engineered mutation
Met 648	Leu 318	engineered mutation
Ile 649	Thr 319	engineered mutation
Arg 660	Lys 330	engineered mutation
Asn 702	Ile 372	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	69065.5
Non-Polymers*	Number of molecules	2
	Total formula weight	912.9
All*	Total formula weight	69978.4

*Water molecules are not included.