| Entry |
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| Name |
|
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| Formula |
C55H83N17O22
|
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| Exact mass |
1333.5899
|
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| Mol weight |
1334.3482
|
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| Structure |
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| Sequence |
0 Suc-Tyr 1 Dab 2 D-Ser 3 Arg 4 D-Ser 5 fOHOrn 6 Lys
7 fOHOrn 8 Thr 9 Thr (Cyclization: 6-9) |
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| Gene |
|
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| Organism |
Pseudomonas aeruginosa PAO1 [GN: pae] |
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| Type |
NRP |
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| Comment |
0 Tyr and 1 Dab are modified to form a fluorescent dihydroxyquinoline chromophore.
5 fOHOrn and 7 fOHOrn are N5-Formyl-N5-hydroxyornithine.
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 94
1 C1y C 51.9374 -26.0854
2 C1x C 53.1521 -25.3841
3 C1x C 54.3668 -26.0854
4 C1x C 55.5815 -25.3841
5 C1x C 56.7983 -26.0866
6 N1x N 56.7983 -27.4892
7 C5x C 51.9374 -27.4880
8 N1x N 50.7227 -28.1893
9 C5x C 57.9960 -28.1808
10 C1y C 50.7227 -29.5920
11 C1y C 57.9960 -29.5834
12 C5x C 51.9598 -30.2933
13 N1x N 53.1746 -29.5920
14 C1y C 54.3893 -30.2933
15 C5x C 55.6039 -29.5920
16 N1x N 56.8187 -30.2933
17 O5x O 53.1521 -28.1893
18 N1b N 50.7227 -25.3841
19 C5a C 49.5080 -26.0854
20 C1c C 48.2933 -25.3841
21 N1b N 47.0786 -26.0854
22 C5a C 45.8639 -25.3841
23 C1c C 44.6492 -26.0854
24 N1b N 43.4345 -25.3841
25 O5x O 59.1864 -27.4934
26 C1c C 59.1999 -30.2637
27 O5x O 55.6039 -28.1894
28 C1b C 49.5277 -30.2884
29 O5x O 51.9653 -31.6956
30 C1c C 54.3893 -31.6959
31 O1a O 55.6060 -32.3984
32 C1a C 53.1766 -32.3960
33 O1a O 60.4175 -29.5453
34 C1a C 59.2128 -31.6958
35 C1b C 48.3314 -29.6040
36 C1b C 47.1467 -30.2944
37 N1c N 45.9452 -29.6070
38 C4a C 44.7630 -30.2958
39 O1b O 45.9452 -28.2044
40 O4a O 44.6985 -31.6958
41 O5a O 49.5080 -27.4878
42 C1b C 48.2933 -23.9815
43 C1b C 47.0765 -23.2790
44 C1b C 47.0765 -21.8764
45 N1c N 45.8788 -21.1848
46 C4a C 45.8788 -19.7821
47 O1b O 44.6884 -21.8721
48 O4a O 47.1176 -19.0668
49 O5a O 45.8639 -23.9818
50 C1b C 44.6492 -27.4880
51 O1a O 43.4304 -28.1916
52 C5a C 42.2369 -26.0854
53 C1c C 41.0221 -25.3841
54 N1b N 39.8075 -26.0854
55 C5a C 38.5928 -25.3841
56 C1c C 37.3780 -26.0854
57 N1b N 36.1634 -25.3841
58 C5a C 34.9487 -26.0854
59 C1y C 33.7339 -25.3841
60 O5a O 42.2412 -27.4879
61 C1b C 41.0221 -23.9817
62 C1b C 39.7886 -23.2694
63 C1b C 39.7886 -21.8667
64 N1b N 38.5907 -21.1751
65 C2c C 38.5906 -19.7738
66 N1a N 37.3924 -19.0819
67 N2a N 39.8217 -19.0628
68 O5a O 38.5928 -23.9816
69 C1b C 37.3780 -27.4877
70 O1a O 36.1425 -28.2014
71 O5a O 34.9487 -27.4879
72 C1x C 33.7339 -23.9818
73 C1x C 32.5193 -23.2805
74 N2x N 31.3045 -23.9818
75 C8y C 31.3045 -25.3841
76 N4y N 32.5193 -26.0854
77 C8y C 30.0898 -26.0854
78 C8x C 30.0898 -27.4880
79 C8y C 31.3046 -28.1893
80 C8y C 32.5193 -27.4880
81 N1b N 28.8504 -25.3695
82 C5a C 27.6399 -26.0681
83 C1b C 26.4569 -25.3849
84 C1b C 25.2597 -26.0759
85 O5a O 27.6392 -27.4876
86 C6a C 24.0702 -25.3888
87 O6a O 22.8765 -26.0780
88 O6a O 24.0703 -23.9817
89 C8x C 31.3046 -29.5920
90 C8y C 32.5193 -30.2933
91 C8y C 33.7339 -29.5920
92 C8x C 33.7339 -28.1893
93 O1a O 32.5193 -31.6959
94 O1a O 34.9255 -30.2802
BOND 97
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 7 1
7 7 8 1
8 6 9 1
9 8 10 1
10 9 11 1
11 10 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 7 17 2
17 1 18 1 #Up
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 9 25 2
25 16 11 1
26 11 26 1
27 15 27 2
28 10 28 1 #Down
29 12 29 2
30 14 30 1
31 30 31 1 #Down
32 30 32 1
33 26 33 1 #Down
34 26 34 1
35 28 35 1
36 35 36 1
37 36 37 1
38 37 38 1
39 37 39 1
40 38 40 2
41 19 41 2
42 20 42 1 #Up
43 42 43 1
44 43 44 1
45 44 45 1
46 45 46 1
47 45 47 1
48 46 48 2
49 22 49 2
50 23 50 1 #Up
51 50 51 1
52 24 52 1
53 52 53 1
54 53 54 1
55 54 55 1
56 55 56 1
57 56 57 1
58 57 58 1
59 59 58 1 #Up
60 52 60 2
61 53 61 1 #Up
62 61 62 1
63 62 63 1
64 63 64 1
65 64 65 1
66 65 66 1
67 65 67 2
68 55 68 2
69 56 69 1 #Up
70 69 70 1
71 58 71 2
72 59 72 1
73 72 73 1
74 73 74 1
75 74 75 2
76 59 76 1
77 75 76 1
78 75 77 1
79 77 78 2
80 78 79 1
81 79 80 2
82 76 80 1
83 77 81 1
84 81 82 1
85 82 83 1
86 83 84 1
87 82 85 2
88 84 86 1
89 86 87 1
90 86 88 2
91 79 89 1
92 89 90 2
93 90 91 1
94 91 92 2
95 80 92 1
96 90 93 1
97 91 94 1
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