8BR9

Stapled peptide SP24 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	DNA repair and recombination protein RadA	polymer	231	25542.1	1	UniProt (O74036) Pfam (PF08423) In PDB	Pyrococcus furiosus	Humanised RadA mutant HumRadA22
2	B	Breast cancer type 2 susceptibility protein	polymer	38	3985.5	1	UniProt (P51587) Pfam (PF00634) In PDB	Homo sapiens (human)	Fanconi anemia group D1 protein
3	A	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (ADP)
4	B	4,6-diethylpyrimidin-2-amine	non-polymer		151.2	1	Chemie (RF6)
5		water	water		18.0	82	Chemie (HOH)

Sequence modifications

A: 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

B: 1226 - 2064 (UniProt: P51587)

PDB	External Database	Details
Cys 1231	Thr 1231	engineered mutation
Gln 1232	Glu 1232	engineered mutation
Cys 1238	Val 1238	engineered mutation
Val 2050	Glu 1249	engineered mutation
Asn 2051	Glu 1250	engineered mutation
Ser 2052	Thr 1251	engineered mutation
Phe 2055	Glu 1254	engineered mutation
Ser 2056	Val 1255	engineered mutation
Gly 2057	His 1256	engineered mutation
Phe 2058	Pro 1257	engineered mutation
Ser 2059	Ile 1258	engineered mutation
Thr 2060	Ser 1259	engineered mutation
Ala 2061	Leu 1260	engineered mutation
Gly 2063	Ser 1262	engineered mutation
Lys 2064	Ser 1263	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	29527.6
Non-Polymers*	Number of molecules	2
	Total formula weight	578.4
All*	Total formula weight	30106.0

*Water molecules are not included.