KEGG   COMPOUND: C12024
Entry
C12024                      Compound                               
Name
Calcium-dependent antibiotic;
CDA
Formula
C67H80N14O26
Exact mass
1496.5368
Mol weight
1497.4303
Structure
Sequence
0 FA  1 Ser  2 Thr  3 D-Trp  4 Asp  5 Asp  6 Gly  7 Asp  8 Gly
9 D-Asn  10 Glu  11 Trp  (Cyclization: 2-11)
  Gene
1-6 cdaPS1 [sco:SCO3230]; 7-9 cdaPS2 [sco:SCO3231]; 10-11 cdaPS3
[sco:SCO3232]
  Organism
Streptomyces coelicolor [GN:sco]
  Type
NRP
Comment
6 Gly is modified by 4-hydroxyphenyl. (i.e. 4-Hydroxyphenylglycine, HPG)
9 Asn is modified by hydroxy. (i.e. Hydroxyasparagone, hAsn)
10 Glu is modified by 3-methyl. (i.e. 3-Methylglutamic acid, 3mGlu)
Other DBs
PubChem: 14181
ChEBI: 29548
NIKKAJI: J2.780.045I
LinkDB
KCF data

ATOM        107
            1   C5a C    31.8752  -23.7374
            2   C1c C    33.0837  -24.4370
            3   N1b N    34.2921  -23.7374
            4   C1c C    36.7090  -23.7374
            5   N1b N    37.9175  -24.4370
            6   C1c C    27.9602  -15.6599
            7   C5a C    29.1687  -14.9602
            8   N1b N    30.3771  -15.6527
            9   C1c C    31.5856  -14.9531
            10  C5a C    32.7940  -15.6458
            11  N1b N    34.0025  -14.9462
            12  C1c C    35.2109  -15.6387
            13  C5a C    36.4193  -14.9390
            14  O5a O    29.1656  -13.5610
            15  O5a O    36.4163  -13.5398
            16  N1b N    37.6322  -15.6366
            17  N1b N    27.9619  -17.0591
            18  C5a C    26.7509  -17.7603
            19  C1c C    26.7375  -19.1580
            20  C1c C    27.9426  -19.8692
            21  N1b N    25.5192  -19.8461
            22  O7a O    27.9293  -21.2682
            23  C1a C    29.1610  -19.1811
            24  C7a C    29.1344  -21.9794
            25  C1c C    29.1263  -23.3770
            26  O6a O    30.3515  -21.2891
            27  C5a C    24.3137  -19.1368
            28  C1c C    23.0981  -19.8223
            29  N1b N    21.8968  -19.1156
            30  C5a C    20.6812  -19.8011
            31  C1b C    17.0630  -19.0732
            32  C1b C    15.8474  -19.7587
            33  C1a C    14.6461  -19.0520
            34  O5a O    24.2564  -17.7375
            35  C1b C    23.0854  -21.2214
            36  O5a O    20.6685  -21.2002
            37  C1y C    18.2643  -19.7799
            38  C1y C    19.4799  -19.0944
            39  O2x O    18.2713  -18.3875
            40  C1c C    39.0270  -15.6315
            41  N1b N    30.4760  -23.7374
            42  O5a O    32.2382  -22.3860
            43  C1c C    33.0766  -25.8363
            44  C1a C    31.8613  -26.5298
            45  C1b C    34.2848  -26.5420
            46  C6a C    34.2709  -27.9351
            47  O6a O    33.0521  -28.6226
            48  O6a O    35.4757  -28.6468
            49  O5a O    35.5006  -25.8363
            50  C1c C    36.7090  -22.3381
            51  C5a C    35.4972  -21.6385
            52  C5a C    39.1302  -23.7389
            53  C1b C    39.1188  -22.3381
            54  C5a C    40.0164  -16.6210
            55  N1b N    39.0199  -17.6103
            56  C1c C    39.0128  -19.0096
            57  C5a C    40.1507  -19.9212
            58  N1b N    40.2136  -21.3205
            59  C8y C    39.5601  -14.3379
            60  O5a O    41.4156  -16.6210
            61  O5a O    41.4136  -19.3188
            62  O5a O    40.3442  -24.4343
            63  C1b C    27.7694  -23.7374
            64  C8x C    28.5677  -26.2974
            65  C8y C    27.7592  -25.1432
            66  N4x N    27.7255  -27.4202
            67  O5a O    25.5420  -17.0556
            68  O5a O    32.7271  -16.9750
            69  C1b C    35.2140  -17.0379
            70  C1b C    37.7499  -19.6120
            71  C6a C    36.7514  -18.6139
            72  O6a O    35.3998  -18.9762
            73  O6a O    37.1134  -17.4721
            74  C8y C    26.3951  -26.9650
            75  C8y C    26.4195  -25.5646
            76  C8x C    25.2189  -24.8432
            77  C8x C    23.9940  -25.5223
            78  C8x C    23.9695  -26.9226
            79  C8x C    25.1700  -27.6439
            80  C8x C    40.9404  -14.1571
            81  C8x C    41.4735  -12.8634
            82  C8y C    40.6197  -11.7548
            83  C8x C    39.2328  -11.9400
            84  C8x C    38.6995  -13.2336
            85  O1a O    41.1529  -10.4611
            86  C6a C    34.2145  -18.0203
            87  O6a O    32.8152  -18.0132
            88  O6a O    34.2073  -19.4195
            89  O5a O    35.4972  -20.2392
            90  N1a N    34.2855  -22.3381
            91  C1b C    31.5825  -13.5539
            92  C6a C    32.7926  -12.8517
            93  O6a O    34.0060  -13.5486
            94  O6a O    32.7896  -11.4524
            95  C8x C    27.5715  -12.4302
            96  N4x N    26.7535  -11.2828
            97  C8y C    26.7384  -13.5600
            98  C1b C    26.7475  -14.9618
            99  C8y C    25.4042  -13.1156
            100 C8y C    25.4185  -11.7172
            101 C8x C    24.2145  -11.0055
            102 C8x C    22.9962  -11.6926
            103 C8x C    22.9819  -13.0912
            104 C8x C    24.1861  -13.8027
            105 C5a C    35.4935  -24.4299
            106 O1a O    37.9209  -21.6385
            107 O1a O    24.2971  -21.9359
BOND        113
            1    13  15 2
            2    40  54 1
            3    28  29 1
            4    54  55 1
            5    55  56 1
            6    29  30 1
            7    56  57 1
            8    30  38 1
            9    57  58 1
            10   53  58 1
            11   13  16 1
            12   40  59 1 #Down
            13   37  31 1
            14   54  60 2
            15    8   9 1
            16   57  61 2
            17   31  32 1
            18   52  62 2
            19    6  17 1
            20   25  63 1 #Up
            21   32  33 1
            22    4   5 1
            23   27  34 2
            24   64  65 2
            25   66  64 1
            26   75  65 1
            27   74  66 1
            28   63  65 1
            29   17  18 1
            30   18  67 2
            31   28  35 1 #Down
            32   10  68 2
            33    9  10 1
            34   12  69 1 #Down
            35   56  70 1 #Down
            36    2   3 1
            37   70  71 1
            38   30  36 2
            39   71  72 2
            40   19  20 1
            41   71  73 1
            42   10  11 1
            43   19  21 1
            44   37  38 1
            45   37  39 1
            46   39  38 1
            47    3 105 1
            48   74  75 2
            49   75  76 1
            50   76  77 2
            51   77  78 1
            52   78  79 2
            53   79  74 1
            54   16  40 1
            55   20  22 1
            56   25  41 1
            57   41   1 1
            58   11  12 1
            59   59  80 2
            60   80  81 1
            61   81  82 2
            62   82  83 1
            63   83  84 2
            64   84  59 1
            65    1  42 2
            66   82  85 1
            67   20  23 1
            68   69  86 1
            69    2  43 1 #Up
            70   86  87 2
            71    6   7 1
            72   86  88 1
            73   43  44 1
            74   51  89 2
            75   22  24 1
            76   51  90 1
            77   43  45 1
            78   12  13 1
            79   91  92 1
            80   45  46 1
            81   92  93 2
            82   24  25 1
            83   92  94 1
            84    9  91 1 #Up
            85   46  47 1
            86    1   2 1
            87   46  48 2
            88   95  96 1
            89   97  95 2
            90  100  96 1
            91   99  97 1
            92   24  26 2
            93   98  97 1
            94  105  49 2
            95    7  14 2
            96    4  50 1
            97   21  27 1
            98   50  51 1
            99    7   8 1
            100  99 100 2
            101 100 101 1
            102 101 102 2
            103 102 103 1
            104 103 104 2
            105 104  99 1
            106   6  98 1 #Down
            107  19  18 1 #Down
            108   5  52 1
            109   4 105 1 #Up
            110  27  28 1
            111  50 106 1 #Up
            112  52  53 1
            113  35 107 1

» Japanese version

DBGET integrated database retrieval system