Interaction between DNA ligase 3 alpha (6wh1_B) and X-ray repair cross complementing protein 1 variant (6wh1_A)

PDB and SCOP data

Title: Structure of the complex of human DNA ligase III-alpha and XRCC1 BRCT domains

Release date: 2020-12-02

Resolution: 2.4 Å

Buried interface area: 568.90 Å²

Number of inter-residue contacts at the interface: 45

Number of H-bonds: 8

Number of salt bridges: 4

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No.	Residue no. in structure	Residue no. in sequence	Residue name	Buried ASA, Å²	Buried ASA, %
1	846	2	V	54.3	43.8 %
2	847	3	L	91.8	87.3 %
3	848	4	L	5.3	6.0 %
4	849	5	D	16.8	14.7 %
5	852	8	T	0.9	1.1 %
6	867	23	R	8.0	6.7 %
7	869	25	R	31.9	31.1 %
8	870	26	R	103.3	75.3 %
9	871	27	Y	50.6	90.9 %
10	873	29	V	48.2	79.2 %
11	874	30	A	41.8	100.0 %
12	875	31	F	21.4	65.7 %
13	876	32	D	52.9	86.4 %
14	877	33	G	7.3	72.0 %
15	878	34	D	29.3	37.1 %
16	913	69	I	5.0	16.7 %

No.	Residue no. in structure	Residue no. in sequence	Residue name	Buried ASA, Å²	Buried ASA, %
1	538	1	E	44.5	20.7 %
2	539	2	L	99.2	91.1 %
3	540	3	P	13.6	29.9 %
4	541	4	D	7.8	7.7 %
5	560	23	R	64.9	43.6 %
6	563	26	I	13.7	17.5 %
7	564	27	R	106.3	84.6 %
8	565	28	Y	15.5	46.8 %
9	567	30	T	64.9	95.1 %
10	568	31	A	40.0	100.0 %
11	569	32	F	13.8	100.0 %
12	570	33	N	31.6	34.9 %
13	571	34	G	<0.1	0.5 %
14	573	36	L	6.4	11.1 %
15	616	79	N	12.6	31.2 %
16	619	82	Q	33.8	40.0 %

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	2	V	538	1	E	6.4
2	846	2	V	539	2	L	10.0
3	846	2	V	540	3	P	7.0
4	846	2	V	569	32	F	<0.1
5	846	2	V	619	82	Q	30.9
6	847	3	L	539	2	L	14.3
7	847	3	L	540	3	P	0.2
8	847	3	L	564	27	R	20.3
9	847	3	L	565	28	Y	15.5
10	847	3	L	568	31	A	13.2
11	847	3	L	569	32	F	12.8
12	847	3	L	616	79	N	12.6
13	847	3	L	619	82	Q	2.9
14	848	4	L	564	27	R	5.3
15	849	5	D	564	27	R	16.8	H-bond, Salt bridge
16	852	8	T	560	23	R	0.9
17	867	23	R	538	1	E	8.0
18	869	25	R	563	26	I	2.0
19	869	25	R	567	30	T	23.4
20	869	25	R	571	34	G	<0.1
21	869	25	R	573	36	L	6.4
22	870	26	R	539	2	L	19.8
23	870	26	R	540	3	P	6.4	H-bond
24	870	26	R	541	4	D	7.8
25	870	26	R	567	30	T	24.3
26	870	26	R	568	31	A	12.4	H-bond
27	870	26	R	569	32	F	1.0
28	870	26	R	570	33	N	31.6
29	871	27	Y	538	1	E	20.8
30	871	27	Y	539	2	L	29.8	H-bond
31	873	29	V	563	26	I	11.7
32	873	29	V	564	27	R	19.8
33	873	29	V	567	30	T	16.7
34	874	30	A	539	2	L	10.1
35	874	30	A	564	27	R	16.7	H-bond
36	874	30	A	567	30	T	0.6
37	874	30	A	568	31	A	14.4
38	875	31	F	538	1	E	4.3
39	875	31	F	539	2	L	15.2
40	875	31	F	564	27	R	1.9
41	876	32	D	560	23	R	27.4	H-bond, Salt bridge
42	876	32	D	564	27	R	25.5	H-bond, Salt bridge
43	877	33	G	560	23	R	7.3
44	878	34	D	560	23	R	29.3	H-bond, Salt bridge
45	913	69	I	538	1	E	5.0