KEGG   RPAIR: RP08305Help
Entry
RP08305                     RPair                                  

Name
C05338_C05595
Compound
C05338  
4-Hydroxyphenylacetyl-CoA
C05595  
4-Hydroxyphenylacetylglutamic acid
Type
main
RDM
1
1     C5a-C5a:S2a+*-*+N1b:C1b+O5a-C1b+O5a
RClass
Related pair
Reaction
Enzyme
KCF data Show

ALIGN       10
            1    49:C5a   5:C5a #R1
            2    50:C1b   2:C1b #M1
            3    51:O5a   9:O5a #M1
            4    52:C8y   1:C8y
            5    53:C8x   4:C8x
            6    54:C8x   3:C8x
            7    55:C8x   7:C8x
            8    56:C8x   6:C8x
            9    57:C8y  10:C8y
            10   58:O1a  12:O1a
            -    48:S2a     *   #D1
            -       *     8:N1b #D1
ENTRY1      
 COMPOUND  C05338
 ATOM      58
            1   N4y N     0.1586    2.6034
            2   C1y C    -0.1310    1.3966
            3   C8y C    -1.0586    2.6034
            4   C8x C     0.1586    3.3103
            5   C1y C    -0.3414    0.7414
            6   O2x O    -0.7069    1.8103
            7   C8y C    -1.0586    3.3103
            8   N5x N    -1.6690    2.2483
            9   N5x N    -0.4483    3.6621
            10  C1y C    -1.0517    0.7414
            11  O1a O     0.0690    0.1793
            12  C1y C    -1.2724    1.4069
            13  C8y C    -1.6690    3.6552
            14  C8x C    -2.2724    2.6034
            15  O2b O    -1.4069    0.2414
            16  C1b C    -1.9241    1.6103
            17  N5x N    -2.2724    3.3103
            18  N1a N    -1.6724    4.3517
            19  P1b P    -2.1483    0.2483
            20  O2b O    -2.8759    1.1621
            21  O1c O    -2.0966    0.9103
            22  O1c O    -2.8310    0.2310
            23  O1c O    -2.1552   -0.4517
            24  P1b P    -3.9862    1.1483
            25  O2c O    -3.9862   -0.3241
            26  O1c O    -3.9828    1.8517
            27  O1c O    -4.6862    1.1448
            28  P1b P    -3.9828   -1.7448
            29  O2b O    -3.2586   -1.7310
            30  O1c O    -3.9966   -2.5690
            31  O1c O    -4.6828   -1.7310
            32  C1b C    -2.6586   -1.3828
            33  C1d C    -2.0552   -1.7310
            34  C1c C    -1.4517   -1.3828
            35  C1a C    -2.0621   -2.3517
            36  C1a C    -2.0690   -1.0103
            37  C5a C    -0.8483   -1.7310
            38  O1a O    -1.4517   -0.6862
            39  N1b N    -0.2483   -1.3828
            40  O5a O    -0.8483   -2.4276
            41  C1b C     0.3552   -1.7310
            42  C1b C     0.9586   -1.3828
            43  C5a C     1.5621   -1.7310
            44  N1b N     2.1655   -1.3828
            45  O5a O     1.5621   -2.4276
            46  C1b C     2.7655   -1.7310
            47  C1b C     3.3690   -1.3828
            48  S2a S     3.9724   -1.7310
            49  C5a C     4.5759   -1.3828
            50  C1b C     5.1793   -1.7310
            51  O5a O     4.5759   -0.6862
            52  C8y C     5.7828   -1.3828
            53  C8x C     6.3862   -1.7310
            54  C8x C     5.7828   -0.6897
            55  C8x C     6.9897   -1.3862
            56  C8x C     6.3828   -0.3379
            57  C8y C     6.9862   -0.6862
            58  O1a O     7.5897   -0.3345
 BOND      61
            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    5  11 1 #Down
            11    6  12 1
            12    7  13 1
            13    8  14 2
            14   10  15 1 #Down
            15   12  16 1 #Up
            16   13  17 2
            17   13  18 1
            18   15  19 1
            19   16  20 1
            20   19  21 1
            21   19  22 1
            22   19  23 2
            23   20  24 1
            24   24  25 1
            25   24  26 1
            26   24  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
            53   52  54 2
            54   53  55 2
            55   54  56 1
            56   55  57 1
            57   57  58 1
            58    7   9 1
            59   10  12 1
            60   14  17 1
            61   56  57 2
ENTRY2      
 COMPOUND  C05595
 ATOM      20
            1   C8y C    -1.0483    1.3035
            2   C1b C    -0.2379    1.3035
            3   C8x C    -1.4517    0.5966
            4   C8x C    -1.4552    2.0035
            5   C5a C     0.2621    0.7483
            6   C8x C    -2.2655    0.5966
            7   C8x C    -2.2690    2.0000
            8   N1b N     1.1759    0.4897
            9   O5a O     0.8793    1.6035
            10  C8y C    -2.6759    1.2966
            11  C1c C     1.1724   -0.3207
            12  O1a O    -3.4897    1.3000
            13  C1b C     0.9655   -1.1103
            14  C6a C     1.9862   -0.3207
            15  C1b C     1.1690   -1.8966
            16  O6a O     2.3966   -1.0276
            17  O6a O     2.3966    0.3828
            18  C6a C     0.9621   -2.6793
            19  O6a O     1.3655   -3.3862
            20  O6a O     0.1690   -2.8931
 BOND      20
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 1
            8     5   9 2
            9     6  10 1
            10    8  11 1
            11   10  12 1
            12   11  13 1
            13   11  14 1
            14   13  15 1
            15   14  16 1
            16   14  17 2
            17   15  18 1
            18   18  19 1
            19   18  20 2
            20    7  10 2

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