Interaction between DNA ligase 3 (3pc7_A) and DNA ligase 3 (3pc7_A)

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: 708.90 Å²

Number of inter-residue contacts at the interface: 48

Number of H-bonds: 6

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	843	9	Q	19.9	25.0 %
2	844	10	T	7.5	6.7 %
3	845	11	K	73.9	41.0 %
4	846	12	V	14.5	12.7 %
5	847	13	L	92.9	88.7 %
6	848	14	L	6.0	8.6 %
7	849	15	D	15.7	14.6 %
8	869	35	R	53.2	45.8 %
9	870	36	R	108.0	79.1 %
10	871	37	Y	57.7	72.6 %
11	873	39	V	64.8	97.1 %
12	874	40	A	39.2	100.0 %
13	875	41	F	21.8	51.7 %
14	876	42	D	27.3	39.7 %
15	877	43	G	3.4	25.5 %
16	879	45	L	16.5	31.9 %
17	913	79	I	19.7	65.5 %
18	914	80	R	35.1	20.3 %
19	916	82	R	31.7	20.8 %

No.	Residue no. in structure	Residue no. in sequence	Residue name	Buried ASA, Å²	Buried ASA, %
1	843	9	Q	19.9	24.9 %
2	844	10	T	7.5	6.7 %
3	845	11	K	73.9	41.0 %
4	846	12	V	14.5	12.7 %
5	847	13	L	92.9	88.7 %
6	848	14	L	6.0	8.6 %
7	849	15	D	15.8	14.6 %
8	869	35	R	53.2	45.9 %
9	870	36	R	108.0	79.2 %
10	871	37	Y	57.7	72.6 %
11	873	39	V	64.8	97.1 %
12	874	40	A	39.2	100.0 %
13	875	41	F	21.8	51.7 %
14	876	42	D	27.3	39.7 %
15	877	43	G	3.4	25.5 %
16	879	45	L	16.5	31.9 %
17	913	79	I	19.7	65.5 %
18	914	80	R	35.1	20.3 %
19	916	82	R	31.7	20.8 %

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	843	9	Q	916	82	R	19.9
2	844	10	T	916	82	R	7.5
3	845	11	K	871	37	Y	11.2
4	845	11	K	875	41	F	3.5
5	845	11	K	913	79	I	19.7
6	845	11	K	914	80	R	35.1
7	845	11	K	916	82	R	4.2
8	846	12	V	871	37	Y	14.5
9	847	13	L	847	13	L	13.0
10	847	13	L	870	36	R	20.4
11	847	13	L	871	37	Y	32.0	H-bond
12	847	13	L	874	40	A	11.4
13	847	13	L	875	41	F	16.1
14	848	14	L	870	36	R	6.0
15	849	15	D	870	36	R	15.7	H-bond, Salt bridge
16	869	35	R	869	35	R	9.1
17	869	35	R	873	39	V	24.2
18	869	35	R	877	43	G	3.4
19	869	35	R	879	45	L	16.5
20	870	36	R	847	13	L	20.4
21	870	36	R	848	14	L	6.0
22	870	36	R	849	15	D	15.8	H-bond, Salt bridge
23	870	36	R	873	39	V	22.3
24	870	36	R	874	40	A	14.0	H-bond
25	870	36	R	875	41	F	2.2
26	870	36	R	876	42	D	27.3	Salt bridge
27	871	37	Y	845	11	K	11.2
28	871	37	Y	846	12	V	14.5
29	871	37	Y	847	13	L	32.0	H-bond
30	873	39	V	869	35	R	24.2
31	873	39	V	870	36	R	22.3
32	873	39	V	873	39	V	18.1
33	873	39	V	874	40	A	0.2
34	874	40	A	847	13	L	11.4
35	874	40	A	870	36	R	14.0	H-bond
36	874	40	A	873	39	V	0.2
37	874	40	A	874	40	A	13.6
38	875	41	F	845	11	K	3.5
39	875	41	F	847	13	L	16.1
40	875	41	F	870	36	R	2.2
41	876	42	D	870	36	R	27.3	Salt bridge
42	877	43	G	869	35	R	3.4
43	879	45	L	869	35	R	16.5
44	913	79	I	845	11	K	19.7
45	914	80	R	845	11	K	35.1
46	916	82	R	843	9	Q	19.9
47	916	82	R	844	10	T	7.5
48	916	82	R	845	11	K	4.2