KEGG   RPAIR: RP05287Help
Entry
RP05287                     RPair                                  

Name
C00024_C00566
Compound
C00024  
Acetyl-CoA
C00566  
(3S)-Citryl-CoA
Type
main
RDM
1
1     C1a-C1b:*-C1d:C5a-C5a
RClass
Related pair
Reaction
Enzyme
KCF data Show

ALIGN       51
            1     1:N4y   1:N4y
            2     2:C1y   2:C1y
            3     3:C8y   3:C8y
            4     4:C8x   4:C8x
            5     5:O2x   5:O2x
            6     6:C1y   6:C1y
            7     7:C8y   7:C8y
            8     8:N5x   8:N5x
            9     9:N5x   9:N5x
            10   10:C1y  10:C1y
            11   11:C1y  11:C1y
            12   12:O1a  12:O1a
            13   13:C8y  13:C8y
            14   14:C8x  14:C8x
            15   15:C1b  15:C1b
            16   16:O2b  16:O2b
            17   17:N5x  17:N5x
            18   18:N1a  18:N1a
            19   19:O2b  19:O2b
            20   20:P1b  20:P1b
            21   21:P1b  21:P1b
            22   22:O1c  22:O1c
            23   23:O1c  23:O1c
            24   24:O1c  24:O1c
            25   25:O2c  25:O2c
            26   26:O1c  26:O1c
            27   27:O1c  27:O1c
            28   28:P1b  28:P1b
            29   29:O2b  29:O2b
            30   30:O1c  31:O1c
            31   31:O1c  30:O1c
            32   32:C1b  32:C1b
            33   33:C1d  33:C1d
            34   34:C1c  34:C1c
            35   35:C1a  35:C1a
            36   36:C1a  36:C1a
            37   37:C5a  37:C5a
            38   38:O1a  38:O1a
            39   39:N1b  39:N1b
            40   40:O5a  40:O5a
            41   41:C1b  41:C1b
            42   42:C1b  42:C1b
            43   43:C5a  43:C5a
            44   44:N1b  44:N1b
            45   45:O5a  45:O5a
            46   46:C1b  46:C1b
            47   47:C1b  47:C1b
            48   48:S2a  48:S2a
            49   49:C5a  49:C5a #M1
            50   50:C1a  50:C1b #R1
            51   51:O5a  51:O5a
            -       *    52:C1d #D1
ENTRY1      
 COMPOUND  C00024
 ATOM      51
            1   N4y N     0.7379    1.7724
            2   C1y C     0.0034    1.5345
            3   C8y C     2.0690    1.7724
            4   C8x C     0.7379    2.5483
            5   O2x O    -0.6207    1.9931
            6   C1y C    -0.2379    0.8069
            7   C8y C     2.0724    2.5483
            8   N5x N     2.7345    1.3862
            9   N5x N     1.4034    2.9310
            10  C1y C    -1.2448    1.5345
            11  C1y C    -1.0069    0.8069
            12  O1a O     0.2172    0.1828
            13  C8y C     2.7379    2.9276
            14  C8x C     3.4000    1.7655
            15  C1b C    -1.9793    1.7759
            16  O2b O    -1.4034    0.2172
            17  N5x N     3.4034    2.5414
            18  N1a N     2.7414    3.6931
            19  O2b O    -3.0862    1.2000
            20  P1b P    -2.4207    0.2172
            21  P1b P    -3.8586    1.2000
            22  O1c O    -3.2276    0.2172
            23  O1c O    -2.4207    1.1172
            24  O1c O    -2.4207   -0.5552
            25  O2c O    -3.8448   -0.3483
            26  O1c O    -3.8621    1.9724
            27  O1c O    -4.6276    1.2069
            28  P1b P    -3.8655   -1.7414
            29  O2b O    -3.0897   -1.7414
            30  O1c O    -3.8690   -2.5103
            31  O1c O    -4.6379   -1.7414
            32  C1b C    -2.4276   -1.3517
            33  C1d C    -1.7621   -1.7414
            34  C1c C    -1.1000   -1.3517
            35  C1a C    -1.7621   -2.5103
            36  C1a C    -1.7655   -0.9724
            37  C5a C    -0.4310   -1.7414
            38  O1a O    -1.1000   -0.5862
            39  N1b N     0.2345   -1.3517
            40  O5a O    -0.4310   -2.5103
            41  C1b C     0.8966   -1.7414
            42  C1b C     1.5621   -1.3517
            43  C5a C     2.2276   -1.7414
            44  N1b N     2.8931   -1.3517
            45  O5a O     2.2276   -2.5103
            46  C1b C     3.5552   -1.7414
            47  C1b C     4.2207   -1.3517
            48  S2a S     4.8793   -1.7345
            49  C5a C     5.6103   -1.3345
            50  C1a C     6.3207   -1.7552
            51  O5a O     5.6172   -0.5103
 BOND      53
            1     2   1 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 1 #Down
            12    7  13 1
            13    8  14 2
            14   10  15 1 #Up
            15   11  16 1 #Down
            16   13  17 2
            17   13  18 1
            18   15  19 1
            19   16  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 1
            23   20  24 2
            24   21  25 1
            25   21  26 1
            26   21  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 2
            31   29  32 1
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 1
            36   34  37 1
            37   34  38 1
            38   37  39 1
            39   37  40 2
            40   39  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   43  45 2
            45   44  46 1
            46   46  47 1
            47   47  48 1
            48   48  49 1
            49   49  50 1
            50   49  51 2
            51    7   9 1
            52   10  11 1
            53   14  17 1
ENTRY2      
 COMPOUND  C00566
 ATOM      60
            1   N4y N     0.0207    2.8759
            2   C1y C    -0.2793    1.6103
            3   C8y C    -1.2552    2.8759
            4   C8x C     0.0241    3.6138
            5   O2x O    -0.8828    2.0448
            6   C1y C    -0.5034    0.9241
            7   C8y C    -1.2552    3.6138
            8   N5x N    -1.8931    2.5035
            9   N5x N    -0.6138    3.9862
            10  C1y C    -1.4793    1.6207
            11  C1y C    -1.2483    0.9241
            12  O1a O    -0.0724    0.3345
            13  C8y C    -1.8931    3.9793
            14  C8x C    -2.5241    2.8759
            15  C1b C    -2.1621    1.8345
            16  O2b O    -1.6207    0.4000
            17  N5x N    -2.5241    3.6138
            18  N1a N    -1.8966    4.7103
            19  O2b O    -3.1862    1.3483
            20  P1b P    -2.3966    0.4069
            21  P1b P    -4.3241    1.3483
            22  O1c O    -2.3414    1.1000
            23  O1c O    -3.0414    0.4138
            24  O1c O    -2.4035   -0.3276
            25  O2c O    -4.3241   -0.1931
            26  O1c O    -4.3172    2.0862
            27  O1c O    -5.0966    1.3448
            28  P1b P    -4.3207   -1.6828
            29  O2b O    -3.4793   -1.6862
            30  O1c O    -4.3310   -2.5448
            31  O1c O    -5.0517   -1.6897
            32  C1b C    -2.9310   -1.3035
            33  C1d C    -2.3000   -1.6690
            34  C1c C    -1.6655   -1.3035
            35  C1a C    -2.3069   -2.3172
            36  C1a C    -2.3138   -0.9138
            37  C5a C    -1.0345   -1.6690
            38  O1a O    -1.6655   -0.5724
            39  N1b N    -0.4034   -1.3035
            40  O5a O    -1.0345   -2.3966
            41  C1b C     0.2276   -1.6690
            42  C1b C     0.8621   -1.3035
            43  C5a C     1.4931   -1.6690
            44  N1b N     2.1241   -1.3035
            45  O5a O     1.4931   -2.3966
            46  C1b C     2.7552   -1.6690
            47  C1b C     3.3897   -1.3035
            48  S2a S     4.0172   -1.6724
            49  C5a C     4.6483   -1.3069
            50  C1b C     5.2828   -1.6724
            51  O5a O     4.6483   -0.5759
            52  C1d C     5.9138   -1.3069
            53  C1b C     6.2172   -1.8724
            54  C6a C     6.5448   -0.9414
            55  O1a O     5.5690   -0.4897
            56  C6a C     5.9241   -2.4931
            57  O6a O     7.1793   -1.3069
            58  O6a O     6.5483   -0.2103
            59  O6a O     6.2690   -3.1345
            60  O6a O     5.2241   -2.5207
 BOND      62
            1     2   1 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 1 #Down
            12    7  13 1
            13    8  14 2
            14   10  15 1 #Up
            15   11  16 1 #Down
            16   13  17 2
            17   13  18 1
            18   15  19 1
            19   16  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 1
            23   20  24 2
            24   21  25 1
            25   21  26 1
            26   21  27 2
            27   25  28 1
            28   28  29 1
            29   28  30 1
            30   28  31 2
            31   29  32 1
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 1
            36   34  37 1
            37   34  38 1
            38   37  39 1
            39   37  40 2
            40   39  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   43  45 2
            45   44  46 1
            46   46  47 1
            47   47  48 1
            48   48  49 1
            49   49  50 1
            50   49  51 2
            51   50  52 1
            52   52  53 1 #Down
            53   52  54 1
            54   52  55 1 #Up
            55   53  56 1
            56   54  57 1
            57   54  58 2
            58   56  59 1
            59   56  60 2
            60    7   9 1
            61   10  11 1
            62   14  17 1

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