9OO9

Crystal structure of MYST acetyltransferase domain in complex with inhibitor 6

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Histone acetyltransferase KAT8	polymer	295	34433.6	1	UniProt (Q9H7Z6)	Homo sapiens (human)	Lysine acetyltransferase 8,MOZ,YBF2/SAS3,SAS2 and TIP60 protein 1,hMOF
2	B (A)	2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide	non-polymer		444.5	1	Chemie (R7L)
3	C (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
4	D, E, F, G (A)	SODIUM ION	non-polymer		23.0	4	Chemie (NA)
5	H, I (A)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6	J (A)	water	water		18.0	278	Chemie (HOH)

Sequence modifications

A: 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	conflict
Ser 645	Ala 315	engineered mutation
Met 648	Leu 318	engineered mutation
Ile 649	Thr 319	engineered mutation
Arg 660	Lys 330	engineered mutation
Ser 697	Trp 367	engineered mutation
Asn 702	Ile 372	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34433.6
Non-Polymers*	Number of molecules	8
	Total formula weight	786.0
All*	Total formula weight	35219.6

*Water molecules are not included.