KEGG   RPAIR: RP03846Help
Entry
RP03846                     RPair                                  

Name
C00063_C03691
Compound
C00063  
CTP
C03691  
CMP-N-glycoloylneuraminate
Type
trans
RDM
1
1     P1b-P1b:O2c+*-*+O2b:O1c+O1c+O2b-O1c+O1c+O2b
Related pair
Reaction
Enzyme
KCF data Show

ALIGN       20
            1     1:C1y  20:C1y
            2     2:O2x  18:O2x
            3     3:C1y  21:C1y
            4     4:C1y  17:C1y
            5     5:C1y  19:C1y
            6     6:C1b  16:C1b
            7     7:O1a  22:O1a
            8     8:O2b  13:O2b #M1
            9     9:P1b   8:P1b #R1
            10   11:O1c  14:O1c #M1
            11   12:O1c  15:O1c #M1
            12   21:N4y  23:N4y
            13   22:C8y  25:C8y
            14   23:C8x  26:C8x
            15   24:N5x  27:N5x
            16   25:O5x  28:O5x
            17   26:C8x  29:C8x
            18   27:C8y  30:C8y
            19   28:N1a  31:N1a
            20   29:O1a  24:O1a
            -    10:O2c     *   #D1
            -       *     4:O2b #D1
ENTRY1      
 COMPOUND  C00063
 ATOM      29
            1   C1y C    29.4209  -15.6738
            2   O2x O    28.3291  -14.8682
            3   C1y C    29.0121  -17.0461
            4   C1y C    27.1905  -15.7089
            5   C1y C    27.6108  -17.0461
            6   C1b C    25.8533  -15.2769
            7   O1a O    26.7758  -18.1672
            8   O2b O    24.8198  -16.2111
            9   P1b P    23.4242  -16.2111
            10  O2c O    22.0287  -16.2111
            11  O1c O    23.4185  -17.6125
            12  O1c O    23.4185  -14.8155
            13  P1b P    20.6274  -16.2052
            14  O2c O    19.2319  -16.2052
            15  O1c O    20.6216  -17.6008
            16  O1c O    20.6216  -14.8097
            17  P1b P    17.8363  -16.1994
            18  O1c O    17.8305  -17.5949
            19  O1c O    16.4408  -16.1935
            20  O1c O    17.8305  -14.8038
            21  N4y N    30.7619  -15.2316
            22  C8y C    31.9081  -15.9375
            23  C8x C    30.7056  -13.8345
            24  N5x N    33.1312  -15.2418
            25  O5x O    31.9071  -17.3379
            26  C8x C    31.9148  -13.1295
            27  C8y C    33.1367  -13.8344
            28  N1a N    34.3551  -13.1455
            29  O1a O    29.8534  -18.1742
 BOND      30
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1 #Up
            6     5   7 1 #Down
            7     6   8 1
            8     8   9 1
            9     9  10 1
            10    9  11 1
            11    9  12 2
            12   10  13 1
            13   13  14 1
            14   13  15 1
            15   13  16 2
            16   14  17 1
            17   17  18 1
            18   17  19 1
            19   17  20 2
            20    4   5 1
            21   21  22 1
            22   21  23 1
            23   22  24 1
            24   22  25 2
            25   23  26 2
            26   24  27 2
            27   27  28 1
            28   26  27 1
            29    1  21 1 #Up
            30    3  29 1 #Down
ENTRY2      
 COMPOUND  C03691
 ATOM      42
            1   C1z C    15.6017  -14.7193
            2   O2x O    14.4467  -14.0505
            3   C1x C    15.6017  -16.0483
            4   O2b O    17.7212  -16.3121
            5   C6a C    16.7432  -14.0505
            6   C1y C    13.2935  -14.7193
            7   C1y C    14.4467  -16.7344
            8   P1b P    19.0574  -16.3121
            9   O6a O    16.7372  -12.7274
            10  O6a O    17.8852  -14.7193
            11  C1y C    13.2935  -16.0483
            12  O1a O    14.4526  -18.0519
            13  O2b O    20.3749  -16.3121
            14  O1c O    19.0574  -17.6367
            15  O1c O    19.0574  -14.9820
            16  C1b C    21.7053  -16.3121
            17  C1y C    22.9645  -16.7053
            18  O2x O    24.0367  -15.9250
            19  C1y C    23.3866  -17.9647
            20  C1y C    25.1261  -16.7227
            21  C1y C    24.7344  -17.9647
            22  O1a O    22.6250  -18.9726
            23  N4y N    25.9704  -14.5017
            24  O1a O    25.5133  -18.9609
            25  C8y C    24.8098  -13.8285
            26  C8x C    27.1298  -13.8518
            27  N5x N    24.7458  -12.4983
            28  O5x O    23.6680  -14.4841
            29  C8x C    27.1298  -12.5041
            30  C8y C    25.9762  -11.8307
            31  N1a N    25.9762  -10.5062
            32  C1c C    12.0815  -13.9986
            33  C1c C    12.0864  -12.6066
            34  C1b C    10.8834  -11.9066
            35  O1a O    10.8182  -10.5146
            36  N1b N    12.0785  -16.7392
            37  O1a O    13.2846  -11.9149
            38  O1a O    10.8661  -14.6871
            39  C5a C    12.0782  -18.1322
            40  O5a O    13.2846  -18.8282
            41  C1b C    10.8728  -18.8282
            42  O1a O     9.6383  -18.1155
 BOND      44
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1 #Down
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 1 #Down
            12    8  13 1
            13    8  14 1
            14    8  15 2
            15   13  16 1
            16   17  16 1 #Up
            17   17  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   19  22 1 #Down
            22   20  23 1 #Up
            23   21  24 1 #Down
            24   23  25 1
            25   23  26 1
            26   25  27 1
            27   25  28 2
            28   26  29 2
            29   27  30 2
            30   30  31 1
            31    7  11 1
            32   20  21 1
            33   29  30 1
            34    6  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   11  36 1 #Up
            39   33  37 1 #Up
            40   32  38 1 #Down
            41   36  39 1
            42   39  40 2
            43   39  41 1
            44   41  42 1

DBGET integrated database retrieval system