Entry |
|
Name |
Pristinamycin IA;
Vernamycin B alpha;
Mikamycin B;
4-[4-(Dimethylamino)-N-methyl-L-phenylalanine]virginiamycin S1;
Streptogramin B
|
Formula |
C45H54N8O10
|
Exact mass |
866.3963
|
Mol weight |
866.9579
|
Structure |
|
Sequence |
0 HPA 1 Thr 2 Abu 3 Pro 4 Ala 5 Pip 6 Gly (Cyclization: 1-6) |
Gene |
|
Organism |
Streptomyces pristinaespiralis |
Type |
NRP |
Comment |
4 Ala is modified by 4-dimethylparaaminophenyl. (i.e. 4-Dimethylparaaminophenylalanine, DMPAPA)
6 Gly is modified by phenyl. (i.e. Phenylglycine, Pg)
|
Pathway |
map01054 | Nonribosomal peptide structures |
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 63
1 C1x C 13.7900 -18.2000
2 C5x C 13.7900 -19.6000
3 C1x C 15.0024 -20.3000
4 C1y C 16.2149 -19.6000
5 N1y N 16.2149 -18.2000
6 C1x C 15.0024 -17.5000
7 C5x C 17.4273 -20.3000
8 N1x N 18.6397 -19.6000
9 C1y C 18.6397 -18.2000
10 C5x C 17.4273 -17.5000
11 C1y C 19.8522 -20.3000
12 C7x C 21.0646 -19.6000
13 C5x C 21.0646 -18.2000
14 N1y N 19.8522 -17.5000
15 O7x O 22.2770 -20.3000
16 C1y C 23.4895 -19.6000
17 N1y N 23.4895 -18.2000
18 C1y C 22.2770 -17.5000
19 O5x O 12.5776 -20.3000
20 O5x O 17.4273 -16.1000
21 O5x O 17.4273 -21.7000
22 C1b C 18.6397 -15.4700
23 C8y C 17.4126 -14.7614
24 C8x C 17.4127 -13.3701
25 C8x C 16.2004 -12.6700
26 C8y C 14.9879 -13.3698
27 C8x C 14.9877 -14.7611
28 C8x C 16.2000 -15.4613
29 C8y C 19.8522 -21.6997
30 C8x C 18.6607 -22.3879
31 C8x C 18.6609 -23.7879
32 C8x C 19.8735 -24.4877
33 C8x C 21.0650 -23.7995
34 C8x C 21.0647 -22.3995
35 C1a C 19.8522 -16.1003
36 O5x O 21.0646 -16.8000
37 O6a O 21.0646 -21.0000
38 N1c N 13.7697 -12.6662
39 C5x C 24.4794 -17.2101
40 C1y C 25.8794 -17.2101
41 N1x N 26.7994 -18.6200
42 C1y C 24.7019 -20.3000
43 C5x C 26.0542 -20.0077
44 O5x O 26.8971 -21.1269
45 O5x O 24.4794 -15.8101
46 C1x C 22.2770 -16.3100
47 C1x C 23.9918 -16.8477
48 C1x C 23.4895 -15.7054
49 C1b C 26.8991 -16.2392
50 C1a C 28.2479 -16.6141
51 N1b N 24.7135 -21.7000
52 C5a C 25.9276 -22.3970
53 C8y C 25.9311 -23.7970
54 C1a C 23.4895 -21.0000
55 O5a O 27.1162 -21.9866
56 C8y C 24.6960 -24.5144
57 C8x C 24.6997 -25.9144
58 C8x C 25.9140 -26.6112
59 C8x C 27.1491 -25.8938
60 N5x N 27.1454 -24.4938
61 O1a O 23.4862 -23.8201
62 C1a C 12.5709 -13.3583
63 C1a C 13.7699 -11.2701
BOND 68
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 9 10 1
10 5 10 1
11 8 11 1
12 11 12 1
13 13 14 1
14 9 14 1
15 12 15 1
16 15 16 1
17 17 18 1
18 13 18 1
19 2 19 2
20 10 20 2
21 7 21 2
22 9 22 1
23 22 23 1
24 23 24 2
25 24 25 1
26 25 26 2
27 26 27 1
28 27 28 2
29 23 28 1
30 11 29 1
31 29 30 2
32 30 31 1
33 31 32 2
34 32 33 1
35 33 34 2
36 29 34 1
37 14 35 1
38 13 36 2
39 12 37 2
40 26 38 1
41 17 39 1
42 39 40 1
43 40 41 1
44 16 42 1
45 42 43 1
46 41 43 1
47 43 44 2
48 39 45 2
49 18 46 1
50 17 47 1
51 47 48 1
52 48 46 1
53 40 49 1
54 49 50 1
55 42 51 1
56 51 52 1
57 52 53 1
58 16 54 1
59 52 55 2
60 53 56 2
61 56 57 1
62 57 58 2
63 58 59 1
64 59 60 2
65 53 60 1
66 56 61 1
67 38 62 1
68 38 63 1
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