8C3J

Stapled peptide SP2 in complex with humanised RadA mutant HumRadA22

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, B)	DNA repair and recombination protein RadA	polymer	231	25542.1	2	UniProt (O74036) Pfam (PF08423) UniProt (by SIFTS) (Q06609)	Pyrococcus furiosus	Humanised RadA mutant HumRadA22
2	C, D (C, J)	Breast cancer type 2 susceptibility protein	polymer	36	3687.2	2	UniProt (P51587) Pfam (PF00634)	Homo sapiens (human)	Fanconi anemia group D1 protein
3	E (C)	2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid	non-polymer		224.3	1	Chemie (TKI)

Sequence modifications

A, B: 107 - 349 (UniProt: O74036)

PDB	External Database	Details
Met 107	Arg 107	engineered mutation
Ala 168	Val 168	engineered mutation
Met 169	Ile 169	engineered mutation
Tyr 170	Trp 170	engineered mutation
Leu 182	Ile 182	engineered mutation
Asp 198	Lys 198	engineered mutation
Asn 199	His 199	engineered mutation
Val 200	Ile 200	engineered mutation
Ala 201	Tyr 201	engineered mutation
Tyr 202	Val 202	engineered mutation
Gln 213	Leu 213	engineered mutation
Leu 215	Val 215	engineered mutation
Tyr 216	Gln 216	engineered mutation
Ser 219	Glu 219	engineered mutation
Ala 220	Asp 220	engineered mutation
Met 221	Lys 221	engineered mutation
Met 222	Ile 222	engineered mutation
Val 223	Lys 223	engineered mutation
Ser 225	Leu 225	engineered mutation
Tyr 232	Val 232	engineered mutation
Arg 263	Lys 263	engineered mutation
Phe 264	His 264	engineered mutation
Arg 266	Ala 266	engineered mutation
Met 267	Asp 267	engineered mutation
Glu 274	Leu 274	engineered mutation
Phe 275	Tyr 275	engineered mutation
Asn 300	Arg 288	engineered mutation
-	Pro 289	deletion
-	Asp 290	deletion
-	Ala 291	deletion
-	Phe 292	deletion
-	Phe 293	deletion
-	Gly 294	deletion
-	Asp 295	deletion
-	Pro 296	deletion
-	Thr 297	deletion
-	Arg 298	deletion
-	Pro 299	deletion
-	Ile 300	deletion

C, J: 1226 - 1244 (UniProt: P51587)

PDB	External Database	Details
Cys 1231	Thr 1231	conflict
Cys 1238	Val 1238	conflict

C, J: 2050 - 2064 (UniProt: P51587)

PDB	External Database	Details
Gly 2048	-	linker
Ser 2049	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	58458.5
Non-Polymers*	Number of molecules	1
	Total formula weight	224.3
All*	Total formula weight	58682.7

*Water molecules are not included.