Entry |
|
Name |
|
Formula |
C66H103N17O16S
|
Exact mass |
1421.7489
|
Mol weight |
1422.6933
|
Structure |
|
Sequence |
0 Ile 1 Cys 2 Leu 3 D-Glu 4 Ile 5 Lys 6 D-Orn 7 Ile 8 D-Phe 9 His 10 D-Asp 11 Asn (Cyclization: 5-11) |
Gene |
|
Organism |
Bacillus licheniformis [GN: bli bld] |
Type |
NRP |
Pathway |
map01054 | Nonribosomal peptide structures |
|
Brite |
Compounds with biological roles [BR:br08001]
Antibiotics
Polyketides and nonribosomal peptides
Non-ribosomal peptides
C15482 Bacitracin A
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 100
1 S2x S 24.1538 -20.9541
2 C1x C 25.5345 -20.9541
3 C1y C 25.9487 -19.6424
4 N2x N 24.8442 -18.8140
5 C2y C 23.7396 -19.6424
6 C1c C 22.5661 -18.9521
7 N1a N 21.3234 -19.6424
8 C5a C 27.1223 -18.9521
9 N1b N 28.3649 -19.6424
10 C1c C 29.5385 -18.9521
11 C5a C 30.7121 -19.6424
12 N1b N 31.9547 -18.9521
13 C1c C 33.1283 -19.6424
14 C5a C 34.3019 -18.9521
15 N1b N 35.5445 -19.6424
16 C1c C 36.7181 -18.9521
17 C5a C 37.8917 -19.6424
18 N1b N 39.1343 -18.9521
19 C1c C 40.3079 -19.6424
20 C5a C 41.4815 -18.9521
21 N1b N 42.6550 -19.6424
22 C1c C 43.8977 -18.9521
23 C5a C 45.0712 -19.6424
24 N1b N 46.2448 -18.9521
25 C1c C 22.5661 -17.5714
26 C1a C 23.7396 -16.8811
27 C1b C 21.3925 -16.8811
28 C1a C 21.3925 -15.5004
29 O5a O 27.1223 -17.5714
30 O5a O 30.7121 -21.0231
31 O5a O 34.3019 -17.5714
32 O5a O 37.8917 -21.0231
33 O5a O 41.4815 -17.5714
34 O5a O 45.0712 -21.0231
35 C1b C 29.4005 -17.0191
36 C1c C 30.5740 -16.3288
37 C1a C 31.7476 -17.0191
38 C1a C 30.5740 -14.9481
39 C1b C 33.1283 -21.0231
40 C1b C 31.9547 -21.7135
41 C6a C 31.9547 -23.0941
42 O6a O 30.7121 -23.7845
43 O6a O 33.1283 -23.7845
44 C1c C 36.7181 -17.5714
45 C1b C 35.5445 -16.8811
46 C1a C 37.8917 -16.8811
47 C1a C 35.5445 -15.5004
48 C1b C 40.3079 -21.0231
49 C1b C 43.8977 -17.5714
50 C1c C 47.4184 -19.6424
51 C5a C 47.4184 -21.7135
52 O5a O 46.2448 -22.4038
53 N1b N 48.6610 -22.4038
54 C1c C 48.6610 -24.2677
55 C5a C 47.4184 -24.9581
56 N1b N 47.4184 -26.3388
57 O5a O 46.2448 -24.2677
58 C1c C 46.2448 -27.0291
59 C5a C 45.0712 -26.3388
60 N1b N 43.8286 -27.0291
61 O5a O 45.0712 -24.9581
62 C1c C 42.6330 -26.3388
63 C5a C 41.4372 -27.0291
64 N1b N 40.2415 -26.3388
65 O5a O 41.4372 -28.4098
66 C1b C 39.1122 -21.7135
67 C1b C 45.0933 -16.8811
68 C1b C 45.0933 -15.5004
69 N1a N 43.8977 -14.8100
70 C1c C 48.6141 -18.9521
71 C1a C 49.7931 -19.6330
72 C1b C 48.6142 -17.5716
73 C1a C 49.8099 -16.8812
74 C1b C 49.8567 -24.9581
75 C8y C 51.0525 -24.2677
76 C8x C 52.2666 -24.9689
77 C8x C 53.4624 -24.2788
78 C8x C 53.4626 -22.8981
79 C8x C 52.2484 -22.1969
80 C8x C 51.0527 -22.8870
81 C1b C 46.2448 -28.4098
82 C8y C 47.4405 -29.1001
83 N5x N 47.5846 -30.4708
84 C8x C 48.9326 -30.7573
85 N4x N 49.6218 -29.5638
86 C8x C 48.6996 -28.5396
87 C1c C 39.0458 -27.0291
88 C5a C 37.8501 -26.3388
89 N1b N 37.8501 -24.9581
90 O5a O 36.6544 -27.0291
91 C1b C 39.0458 -28.4097
92 C5a C 37.8501 -29.1000
93 O5a O 37.8501 -30.4807
94 N1a N 36.6544 -28.4097
95 C1b C 39.1122 -23.0941
96 C1b C 42.6330 -24.4058
97 C1b C 37.9164 -23.7845
98 C6a C 41.4372 -23.7155
99 O6a O 40.2415 -24.4058
100 O6a O 41.4372 -22.3348
BOND 103
1 1 2 1
2 3 2 1
3 3 4 1
4 4 5 2
5 1 5 1
6 5 6 1
7 6 7 1 #Up
8 3 8 1 #Down
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 16 15 1 #Up
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 23 24 1
25 6 25 1
26 25 26 1 #Down
27 25 27 1
28 27 28 1
29 8 29 2
30 11 30 2
31 14 31 2
32 17 32 2
33 20 33 2
34 23 34 2
35 10 35 1 #Up
36 35 36 1
37 36 37 1
38 36 38 1
39 13 39 1 #Up
40 39 40 1
41 40 41 1
42 41 42 1
43 41 43 2
44 16 44 1
45 44 45 1
46 44 46 1 #Down
47 45 47 1
48 19 48 1 #Down
49 22 49 1 #Down
50 50 24 1 #Up
51 50 51 1
52 51 52 2
53 51 53 1
54 53 54 1
55 54 55 1
56 55 56 1
57 55 57 2
58 56 58 1
59 58 59 1
60 59 60 1
61 59 61 2
62 60 62 1
63 62 63 1
64 63 64 1
65 63 65 2
66 48 66 1
67 49 67 1
68 67 68 1
69 68 69 1
70 50 70 1
71 70 71 1 #Down
72 70 72 1
73 72 73 1
74 54 74 1 #Down
75 74 75 1
76 75 76 2
77 76 77 1
78 77 78 2
79 78 79 1
80 79 80 2
81 75 80 1
82 58 81 1 #Up
83 81 82 1
84 82 83 1
85 83 84 2
86 84 85 1
87 85 86 1
88 82 86 2
89 64 87 1
90 87 88 1
91 88 89 1
92 88 90 2
93 87 91 1 #Up
94 91 92 1
95 92 93 2
96 92 94 1
97 66 95 1
98 62 96 1 #Up
99 95 97 1
100 89 97 1
101 96 98 1
102 98 99 2
103 98 100 1
|