Interaction between DNA ligase 3 (3pc7_B) and DNA ligase 3 (3pc7_B)

PDB and SCOP data

Title: X-ray crystal structure of the DNA ligase III-alpha BRCT domain.

Release date: 2011-06-15

Resolution: 1.6 Å

Buried interface area: 547.68 Å²

Number of inter-residue contacts at the interface: 46

Number of H-bonds: 10

Number of salt bridges: 6

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No.	Residue no. in structure	Residue no. in sequence	Residue name	Buried ASA, Å²	Buried ASA, %
1	846	12	V	0.7	0.3 %
2	847	13	L	93.1	79.8 %
3	848	14	L	6.3	9.7 %
4	849	15	D	14.3	12.8 %
5	860	26	P	8.7	9.2 %
6	865	31	F	<0.1	0.2 %
7	866	32	S	0.6	0.8 %
8	869	35	R	69.5	82.1 %
9	870	36	R	111.8	76.8 %
10	871	37	Y	28.9	31.9 %
11	873	39	V	57.4	96.9 %
12	874	40	A	41.0	100.0 %
13	875	41	F	16.8	51.2 %
14	876	42	D	27.3	37.9 %
15	877	43	G	5.1	44.0 %
16	878	44	D	18.3	25.8 %
17	879	45	L	39.1	59.3 %
18	881	47	Q	2.5	6.0 %
19	883	49	F	6.2	3.3 %

No.	Residue no. in structure	Residue no. in sequence	Residue name	Buried ASA, Å²	Buried ASA, %
1	846	12	V	0.7	0.3 %
2	847	13	L	93.1	79.8 %
3	848	14	L	6.3	9.7 %
4	849	15	D	14.3	12.8 %
5	860	26	P	8.7	9.2 %
6	865	31	F	<0.1	0.2 %
7	866	32	S	0.6	0.8 %
8	869	35	R	69.5	82.1 %
9	870	36	R	111.8	76.8 %
10	871	37	Y	28.9	31.9 %
11	873	39	V	57.4	96.9 %
12	874	40	A	41.0	100.0 %
13	875	41	F	16.8	51.3 %
14	876	42	D	27.3	37.9 %
15	877	43	G	5.1	44.1 %
16	878	44	D	18.3	25.8 %
17	879	45	L	39.1	59.3 %
18	881	47	Q	2.5	6.0 %
19	883	49	F	6.2	3.3 %

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	871	37	Y	0.7
2	847	13	L	847	13	L	11.6
3	847	13	L	870	36	R	26.5
4	847	13	L	871	37	Y	28.2
5	847	13	L	874	40	A	11.4
6	847	13	L	875	41	F	15.4
7	848	14	L	870	36	R	6.3	H-bond
8	849	15	D	870	36	R	14.3	H-bond, Salt bridge
9	860	26	P	881	47	Q	2.5
10	860	26	P	883	49	F	6.2
11	865	31	F	878	44	D	<0.1
12	866	32	S	878	44	D	0.6
13	869	35	R	873	39	V	17.4
14	869	35	R	877	43	G	5.1
15	869	35	R	878	44	D	17.7	H-bond, Salt bridge
16	869	35	R	879	45	L	29.3	H-bond
17	870	36	R	847	13	L	26.5
18	870	36	R	848	14	L	6.3	H-bond
19	870	36	R	849	15	D	14.3	H-bond, Salt bridge
20	870	36	R	873	39	V	21.9
21	870	36	R	874	40	A	14.1	H-bond
22	870	36	R	875	41	F	1.4
23	870	36	R	876	42	D	27.3	Salt bridge
24	871	37	Y	846	12	V	0.7
25	871	37	Y	847	13	L	28.2
26	873	39	V	869	35	R	17.4
27	873	39	V	870	36	R	21.9
28	873	39	V	873	39	V	17.7
29	873	39	V	874	40	A	0.3
30	873	39	V	879	45	L	0.1
31	874	40	A	847	13	L	11.4
32	874	40	A	870	36	R	14.1	H-bond
33	874	40	A	873	39	V	0.3
34	874	40	A	874	40	A	15.2
35	875	41	F	847	13	L	15.4
36	875	41	F	870	36	R	1.4
37	876	42	D	870	36	R	27.3	Salt bridge
38	877	43	G	869	35	R	5.1
39	878	44	D	865	31	F	<0.1
40	878	44	D	866	32	S	0.6
41	878	44	D	869	35	R	17.7	H-bond, Salt bridge
42	879	45	L	869	35	R	29.3	H-bond
43	879	45	L	873	39	V	0.1
44	879	45	L	879	45	L	9.7
45	881	47	Q	860	26	P	2.5
46	883	49	F	860	26	P	6.2