Entry
Name
Formula
C44H66ClN14O17R
Structure
Mol file KCF file DB search
Sequence
0 FA 1 Ser 2 D-Ser 3 Dab 4 D-Dab 5 Arg 6 Phe 7 Dhb 8 Asp 9 Thr (Cyclization: 1-9)
Gene
Organism
Pseudomonas syringae (pv. syringae) [GN:
psb ]
Type
NRP
Comment
0 FA is 3-hydroxy-fatty acid.
8 Asp is modified by 3-hydroxy. (i.e. 3-L-threo-Hydroxyaspartic acid, (3-OH)Asp)
9 Thr is modified by 4-chloro. (i.e. 4-Chlorothreonine, (4-Cl)Thr)
Pathway
map01054 Nonribosomal peptide structures
Other DBs
KCF data
Show ATOM 77
1 R R 24.4597 -16.5438
2 C1c C 25.6743 -17.2451
3 C1b C 26.8891 -16.5438
4 C5a C 28.1038 -17.2451
5 N1b N 29.3185 -16.5438
6 C1c C 30.5332 -17.2451
7 C5a C 31.7479 -16.5438
8 N1b N 32.9626 -17.2451
9 C1c C 34.1774 -16.5438
10 C5a C 35.3920 -17.2451
11 N1b N 36.6068 -16.5438
12 C1c C 37.8215 -17.2451
13 O1a O 25.6743 -18.6475
14 O5a O 28.1038 -18.6477
15 O5a O 31.7479 -15.1411
16 C1b C 34.1774 -15.1414
17 O1a O 35.4149 -14.4266
18 C1b C 39.0609 -16.5291
19 C5a C 37.8217 -18.6473
20 C1b C 39.0604 -15.1412
21 N1a N 40.2648 -14.4453
22 O5a O 39.0612 -19.3631
23 N1b N 36.6318 -19.3347
24 C1c C 36.6318 -20.7513
25 C1b C 37.8695 -21.4662
26 C5a C 35.4401 -21.4395
27 O5a O 34.2538 -20.7547
28 N1b N 35.4400 -22.8553
29 C1b C 39.0788 -20.7682
30 N1a N 40.2623 -21.4517
31 C1c C 36.6773 -23.5700
32 C1b C 37.8866 -22.8720
33 C5a C 36.6769 -24.9594
34 C1b C 39.0701 -23.5557
35 C1b C 40.2670 -22.8648
36 N1b N 41.4568 -23.5520
37 C2c C 42.6503 -22.8629
38 N1a N 43.8417 -23.5510
39 N2a N 42.6506 -21.4532
40 N1b N 35.4512 -25.6667
41 O5a O 37.8807 -25.6548
42 C1c C 35.4509 -27.0633
43 C5a C 34.2506 -27.7561
44 C1b C 36.6799 -27.7734
45 C8y C 36.6799 -29.1760
46 C8x C 35.4560 -29.8827
47 C8x C 35.4561 -31.2854
48 C8x C 36.6709 -31.9866
49 C8x C 37.8949 -31.2798
50 C8x C 37.8947 -29.8772
51 O5a O 34.2502 -29.1671
52 C1b C 30.5332 -18.6474
53 O7a O 29.3394 -19.3369
54 N1b N 33.0605 -27.0686
55 C2c C 31.8668 -27.7573
56 O5a O 35.3920 -18.6477
57 C7a C 29.3394 -20.7395
58 O6a O 28.1419 -21.4313
59 C1c C 30.5815 -21.4566
60 N1b N 30.5815 -22.8592
61 C5a C 29.3531 -23.5685
62 O5a O 28.1453 -22.8712
63 C1c C 29.3534 -24.9594
64 N1b N 30.5798 -25.6673
65 C1c C 28.1504 -25.6543
66 C6a C 26.9581 -24.9661
67 O1a O 28.1505 -27.0632
68 O6a O 25.7661 -25.6546
69 O6a O 26.9578 -23.5572
70 C5a C 30.5799 -27.0633
71 O5a O 29.3616 -27.7906
72 C1c C 31.7823 -20.7631
73 O1a O 32.9704 -21.4488
74 C1b C 31.7824 -19.3493
75 X Cl 32.9752 -18.6603
76 C2b C 31.8879 -29.1895
77 C1a C 33.1349 -29.8856
BOND 78
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 2 13 1
13 4 14 2
14 7 15 2
15 9 16 1 #Down
16 16 17 1
17 12 18 1 #Up
18 12 19 1
19 18 20 1
20 20 21 1
21 19 22 2
22 19 23 1
23 23 24 1
24 24 25 1 #Down
25 24 26 1
26 26 27 2
27 26 28 1
28 25 29 1
29 29 30 1
30 28 31 1
31 31 32 1 #Up
32 31 33 1
33 32 34 1
34 34 35 1
35 35 36 1
36 36 37 1
37 37 38 1
38 37 39 2
39 33 40 1
40 33 41 2
41 40 42 1
42 42 43 1
43 42 44 1 #Up
44 44 45 1
45 45 46 2
46 46 47 1
47 47 48 2
48 48 49 1
49 49 50 2
50 45 50 1
51 43 51 2
52 6 52 1 #Down
53 52 53 1
54 43 54 1
55 54 55 1
56 10 56 2
57 53 57 1
58 57 58 2
59 57 59 1
60 59 60 1 #Down
61 60 61 1
62 61 62 2
63 61 63 1
64 63 64 1 #Up
65 63 65 1
66 65 66 1
67 65 67 1 #Down
68 66 68 1
69 66 69 2
70 64 70 1
71 70 55 1
72 70 71 2
73 59 72 1
74 72 73 1 #Up
75 72 74 1
76 74 75 1
77 55 76 2
78 76 77 1