9G4A

Structure of human SETD2 T1663M mutant in complex with SAM and H3K36M peptide

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-lysine N-methyltransferase SETD2	polymer	295	34128.9	1	UniProt (Q9BYW2) Pfam (PF17907) Pfam (PF00856)	Homo sapiens (human)	HIF-1,Huntingtin yeast partner B,Huntingtin-interacting protein 1,HIP-1,Huntingtin-interacting protein B,Lysine N-methyltransferase 3A,Protein-lysine N-methyltransferase SETD2,SET domain-containing protein 2,hSET2,p231HBP
2	B (B)	Histone H3	polymer	15	1657.9	1	UniProt (A0A1X8XL64) UniProt (by SIFTS) (P84243)	Homo sapiens
3	C, D, E (A)	ZINC ION	non-polymer		65.4	3	Chemie (ZN)
4	F (A)	S-ADENOSYLMETHIONINE	non-polymer		398.4	1	Chemie (SAM)
5	G, H (A, B)	water	water		18.0	226	Chemie (HOH)

Sequence modifications

A: 1433 - 1711 (UniProt: Q9BYW2)

PDB	External Database	Details
Met 1417	-	initiating methionine
His 1418	-	expression tag
His 1419	-	expression tag
His 1420	-	expression tag
His 1421	-	expression tag
His 1422	-	expression tag
His 1423	-	expression tag
Ser 1424	-	expression tag
Ser 1425	-	expression tag
Gly 1426	-	expression tag
Arg 1427	-	expression tag
Glu 1428	-	expression tag
Asn 1429	-	expression tag
Leu 1430	-	expression tag
Tyr 1431	-	expression tag
Phe 1432	-	expression tag
Met 1663	Thr 1663	variant

B: 29 - 43 (UniProt: A0A1X8XL64)

PDB	External Database	Details
Met 36	Lys 40	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	35786.8
Non-Polymers*	Number of molecules	4
	Total formula weight	594.7
All*	Total formula weight	36381.5

*Water molecules are not included.