| Entry |
|
|---|
| Name |
Quinomycin A;
Echinomycin
|
|---|
| Formula |
C51H64N12O12S2
|
|---|
| Exact mass |
1100.4208
|
|---|
| Mol weight |
1101.26
|
|---|
| Structure |
|
|---|
| Sequence |
0 QA 1 D-Ser 2 Ala 3 Cys 4 Val (Dimer) |
|---|
| Gene |
|
|---|
| Organism |
Streptomyces echinatus |
|---|
| Type |
NRP |
|---|
| Comment |
3 Cys is modified by N-methyl. (i.e. N-Methylcysteine, MeCys)
4 Val is modified by N-methyl. (i.e. N-Methylvaline, MeVal)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 77
1 C7x C 35.6239 -22.9046
2 O7x O 35.6239 -24.2898
3 C1x C 36.8705 -24.9824
4 C1a C 38.0480 -24.2898
5 N1y N 38.0480 -22.9046
6 C1y C 36.8705 -22.2120
7 C1y C 40.4721 -22.9046
8 C5x C 39.2254 -22.2120
9 O5x O 42.8269 -24.2898
10 C5x C 42.8269 -22.9046
11 N1y N 41.6495 -22.2120
12 O5x O 44.0736 -24.9824
13 C5x C 45.2510 -24.2898
14 N1x N 45.2510 -22.9046
15 C1y C 44.0736 -22.2120
16 O5x O 39.2254 -26.3676
17 O5x O 40.4721 -27.0602
18 C1y C 36.8705 -26.3676
19 C5x C 38.0480 -27.0602
20 C1a C 45.2510 -27.0602
21 C1x C 46.4284 -26.3676
22 C1y C 46.4284 -24.9824
23 N1y N 45.2510 -28.4454
24 C1y C 46.4284 -29.1380
25 C7x C 47.6751 -28.4454
26 O7x O 47.6751 -27.0602
27 C1y C 42.8269 -28.4454
28 C5x C 44.0736 -29.1380
29 C5x C 40.4721 -28.4454
30 N1y N 41.6495 -29.1380
31 N1x N 38.0480 -28.4454
32 C1y C 39.2254 -29.1380
33 C1a C 39.2254 -30.5924
34 C1a C 41.6495 -30.5924
35 O5x O 44.0736 -30.5924
36 C1c C 46.4284 -30.5924
37 C1a C 47.6751 -31.2850
38 C1a C 45.2510 -31.2158
39 O6a O 48.8525 -29.1380
40 N1b N 47.6751 -24.2898
41 C5a C 48.8525 -24.9824
42 C8y C 50.0299 -24.2898
43 O5a O 48.8525 -26.3676
44 C1a C 44.0736 -20.8268
45 C1a C 41.6495 -20.8268
46 O5x O 39.2254 -20.8268
47 C1c C 36.8705 -20.8268
48 C1a C 35.6239 -20.1342
49 C1a C 38.0480 -20.1342
50 O6a O 34.4465 -22.2120
51 N1b N 35.6239 -27.1294
52 C5a C 34.4465 -26.4368
53 C8y C 33.2690 -27.0602
54 O5a O 34.4465 -24.9824
55 N5x N 32.0916 -26.4368
56 C8y C 30.9142 -27.1294
57 C8y C 30.9142 -28.5146
58 N5x N 32.0916 -29.1380
59 C8x C 33.2690 -28.4454
60 C8x C 29.6675 -26.4368
61 C8x C 28.4901 -27.1294
62 C8x C 28.4901 -28.5146
63 C8x C 29.6675 -29.2072
64 N5x N 51.2073 -24.9824
65 C8y C 52.3847 -24.2898
66 C8y C 52.3847 -22.9046
67 N5x N 51.2073 -22.2120
68 C8x C 50.0299 -22.9046
69 C8x C 53.6314 -24.9824
70 C8x C 54.8088 -24.2898
71 C8x C 54.8088 -22.9046
72 C8x C 53.6314 -22.2120
73 C1x C 40.4721 -24.2898
74 C1y C 42.8269 -27.0602
75 S2x S 42.0179 -25.2594
76 S2a S 44.2121 -27.0602
77 C1a C 44.7662 -25.8606
BOND 82
1 1 2 1
2 2 3 1
3 4 5 1
4 5 6 1
5 1 6 1
6 7 8 1
7 5 8 1
8 9 10 2
9 10 11 1
10 7 11 1
11 12 13 2
12 13 14 1
13 14 15 1
14 10 15 1
15 3 18 1
16 18 19 1
17 16 19 2
18 21 22 1
19 22 13 1
20 20 23 1
21 23 24 1
22 24 25 1
23 25 26 1
24 21 26 1
25 27 28 1
26 23 28 1
27 17 29 2
28 29 30 1
29 27 30 1
30 19 31 1
31 31 32 1
32 29 32 1
33 32 33 1
34 30 34 1
35 28 35 2
36 24 36 1
37 36 37 1
38 36 38 1
39 25 39 2
40 22 40 1 #Down
41 40 41 1
42 41 42 1
43 41 43 2
44 15 44 1
45 11 45 1
46 8 46 2
47 6 47 1
48 47 48 1
49 47 49 1
50 1 50 2
51 18 51 1 #Down
52 51 52 1
53 52 53 1
54 52 54 2
55 53 55 2
56 55 56 1
57 56 57 2
58 57 58 1
59 58 59 2
60 53 59 1
61 56 60 1
62 60 61 2
63 61 62 1
64 62 63 2
65 57 63 1
66 42 64 2
67 64 65 1
68 65 66 2
69 66 67 1
70 67 68 2
71 42 68 1
72 65 69 1
73 69 70 2
74 70 71 1
75 71 72 2
76 66 72 1
77 7 73 1
78 27 74 1
79 73 75 1
80 75 74 1
81 74 76 1
82 76 77 1
|
|---|
