KEGG   COMPOUND: C22386
Entry
C22386                      Compound                               

Name
(L-Threonyl)adenylate
Formula
C14H21N6O9P
Exact mass
448.1108
Mol weight
448.3251
Structure
Reaction
Enzyme
Other DBs
PDB-CCD: 8QN[PDBj]
KCF data

ATOM        30
            1   O7a O    14.3899  -16.3454
            2   C7a C    13.2095  -15.6510
            3   C1c C    11.9597  -16.3454
            4   C1c C    10.7793  -15.6510
            5   C1a C     9.5989  -16.3454
            6   O6a O    13.2095  -14.2623
            7   N1a N    11.9597  -17.7340
            8   O1a O    10.7793  -14.2623
            9   N4y N    23.2080  -15.5121
            10  C8y C    24.1801  -16.2065
            11  C1y C    21.8888  -15.9287
            12  C8x C    23.6246  -13.9846
            13  C8y C    25.3605  -15.2344
            14  N5x N    24.3190  -17.6646
            15  O2x O    20.7778  -14.9567
            16  C1y C    21.4722  -17.1786
            17  N5x N    24.9439  -13.9846
            18  C8y C    26.6798  -15.8593
            19  C8x C    25.6382  -18.2201
            20  C1y C    19.6669  -15.8593
            21  C1y C    20.0835  -17.1786
            22  O1a O    22.1665  -18.2895
            23  N5x N    26.8186  -17.3174
            24  N1a N    27.7213  -14.9567
            25  C1b C    18.3476  -15.4427
            26  O1a O    19.6669  -18.3589
            27  O2b O    17.3061  -16.3454
            28  P1b P    15.9174  -16.3454
            29  O1c O    15.9174  -17.7340
            30  O1c O    15.9174  -14.8872
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     2   6 2
            6     3   7 1 #Up
            7     4   8 1 #Up
            8     9  10 1
            9    11   9 1 #Up
            10    9  12 1
            11   10  13 2
            12   10  14 1
            13   11  15 1
            14   11  16 1
            15   12  17 2
            16   13  18 1
            17   14  19 2
            18   15  20 1
            19   16  21 1
            20   16  22 1 #Down
            21   18  23 2
            22   18  24 1
            23   20  25 1 #Up
            24   21  26 1 #Down
            25   25  27 1
            26   27  28 1
            27   28  29 1
            28   28  30 2
            29   13  17 1
            30   19  23 1
            31   20  21 1
            32    1  28 1

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