Interaction between DNA ligase 3 (3pc8_C) and DNA repair protein XRCC1 (3pc8_A)

PDB and SCOP data

Title: X-ray crystal structure of the heterodimeric complex of XRCC1 and DNA ligase III-alpha BRCT domains.

Release date: 2011-06-15

Resolution: 2.3 Å

Buried interface area: 613.89 Å²

Number of inter-residue contacts at the interface: 46

Number of H-bonds: 9

Number of salt bridges: 5

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No.	Residue no. in structure	Residue no. in sequence	Residue name	Buried ASA, Å²	Buried ASA, %
1	846	12	V	12.0	6.1 %
2	847	13	L	90.1	74.1 %
3	848	14	L	7.7	10.0 %
4	849	15	D	16.6	14.8 %
5	852	18	T	2.5	2.7 %
6	853	19	G	4.2	6.6 %
7	867	33	R	27.0	24.0 %
8	869	35	R	31.8	30.4 %
9	870	36	R	107.5	76.1 %
10	871	37	Y	58.3	90.3 %
11	873	39	V	50.4	79.9 %
12	874	40	A	45.1	100.0 %
13	875	41	F	30.5	85.4 %
14	876	42	D	55.3	81.3 %
15	877	43	G	3.2	47.7 %
16	878	44	D	33.5	47.6 %
17	910	76	W	11.8	18.4 %
18	913	79	I	19.7	75.9 %
19	914	80	R	6.7	3.9 %

No.	Residue no. in structure	Residue no. in sequence	Residue name	Buried ASA, Å²	Buried ASA, %
1	534	1	M	22.3	14.8 %
2	535	2	P	81.8	68.0 %
3	536	3	E	6.1	5.8 %
4	537	4	L	94.5	79.1 %
5	538	5	P	5.0	9.2 %
6	539	6	D	9.8	11.4 %
7	558	25	R	75.1	45.6 %
8	561	28	I	13.5	18.2 %
9	562	29	R	109.5	75.8 %
10	563	30	Y	15.7	38.6 %
11	565	32	T	56.8	81.2 %
12	566	33	A	39.1	100.0 %
13	567	34	F	16.6	97.6 %
14	568	35	N	30.4	39.8 %
15	570	37	E	18.6	21.7 %
16	614	81	N	9.4	23.2 %
17	617	84	Q	9.7	11.2 %

No.	Residue no. in chain A structure	Residue no. in chain A sequence	Residue in chain A	Residue no. in chain B structure	Residue no. in chain B sequence	Residue in chain B	Contact area, Å²	Contact type
1	846	12	V	537	4	L	2.4
2	846	12	V	617	84	Q	9.7
3	847	13	L	537	4	L	14.2
4	847	13	L	538	5	P	<0.1
5	847	13	L	562	29	R	25.1
6	847	13	L	563	30	Y	15.7
7	847	13	L	566	33	A	10.5
8	847	13	L	567	34	F	15.0
9	847	13	L	614	81	N	9.4
10	847	13	L	617	84	Q	<0.1
11	848	14	L	535	2	P	1.4
12	848	14	L	562	29	R	6.3	H-bond
13	849	15	D	562	29	R	16.6	H-bond, Salt bridge
14	852	18	T	558	25	R	2.5
15	853	19	G	558	25	R	4.2
16	867	33	R	534	1	M	15.6
17	867	33	R	535	2	P	11.4
18	869	35	R	565	32	T	13.2
19	869	35	R	570	37	E	18.6	Salt bridge
20	870	36	R	537	4	L	23.3
21	870	36	R	538	5	P	5.0	H-bond
22	870	36	R	539	6	D	9.8
23	870	36	R	565	32	T	23.6
24	870	36	R	566	33	A	13.9	H-bond
25	870	36	R	567	34	F	1.6
26	870	36	R	568	35	N	30.4
27	871	37	Y	535	2	P	24.4	H-bond
28	871	37	Y	536	3	E	6.1
29	871	37	Y	537	4	L	27.8	H-bond
30	873	39	V	561	28	I	13.5
31	873	39	V	562	29	R	18.2
32	873	39	V	565	32	T	18.7
33	874	40	A	537	4	L	11.4
34	874	40	A	562	29	R	17.7	H-bond
35	874	40	A	565	32	T	1.3
36	874	40	A	566	33	A	14.7
37	875	41	F	535	2	P	13.2
38	875	41	F	537	4	L	15.4
39	875	41	F	562	29	R	2.0
40	876	42	D	558	25	R	31.6	H-bond, Salt bridge
41	876	42	D	562	29	R	23.6	Salt bridge
42	877	43	G	558	25	R	3.2
43	878	44	D	558	25	R	33.5	H-bond, Salt bridge
44	910	76	W	535	2	P	11.8
45	913	79	I	535	2	P	19.7
46	914	80	R	534	1	M	6.7