KEGG   RPAIR: RP08609Help
Entry
RP08609                     RPair                                  

Name
C00001_C11062
Compound
C00001  
H2O
C11062  
4-Hydroxybutyryl-CoA
Type
leave
RDM
1
1     O0-O1a:*-C1b:*-*
Related pair
Reaction
Enzyme
KCF data Show

ALIGN       1
            1     1:O0   54:O1a #R1
            -       *    53:C1b #D1
ENTRY1      
 COMPOUND  C00001
 ATOM      1
            1   O0  O    22.1250  -16.2017
 BOND      0
ENTRY2      
 COMPOUND  C11062
 ATOM      54
            1   N4y N    15.8135  -12.6826
            2   C1y C    14.9300  -13.2853
            3   C8y C    17.1520  -12.6826
            4   C8x C    15.8135  -11.9165
            5   C1y C    14.6930  -13.9976
            6   O2x O    14.2916  -12.8263
            7   C8y C    17.1520  -11.9165
            8   N5x N    17.8123  -13.0675
            9   N5x N    16.4807  -11.5278
            10  C1y C    13.9177  -13.9976
            11  O1a O    15.1423  -14.6237
            12  C1y C    13.6669  -13.2743
            13  C8y C    17.8123  -11.5306
            14  C8x C    18.4794  -12.6826
            15  O2b O    13.4642  -14.6237
            16  C1b C    12.9621  -13.0442
            17  N5x N    18.4794  -11.9165
            18  N1a N    17.8123  -10.7785
            19  P1b P    12.7128  -14.5483
            20  O2b O    11.9156  -13.5442
            21  O1c O    12.7720  -13.8196
            22  O1c O    11.9677  -14.5607
            23  O1c O    12.7100  -15.3127
            24  P1b P    10.6918  -13.5552
            25  O2c O    10.6889  -15.2210
            26  O1c O    10.6861  -12.8086
            27  O1c O     9.9312  -13.5442
            28  P1b P    10.6889  -16.7306
            29  O2b O    11.4903  -16.7142
            30  O1c O    10.7030  -17.4827
            31  O1c O     9.9283  -16.7196
            32  C1b C    12.1439  -16.3347
            33  C1d C    12.8044  -16.7142
            34  C1c C    13.4642  -16.3292
            35  C1a C    12.8044  -17.4827
            36  C1a C    12.8015  -15.8757
            37  C5a C    14.1313  -16.7142
            38  O1a O    13.4587  -15.5703
            39  N1b N    14.7861  -16.3292
            40  O5a O    14.1313  -17.4827
            41  C1b C    15.4519  -16.7142
            42  C1b C    16.1067  -16.3292
            43  C5a C    16.7725  -16.7142
            44  N1b N    17.4396  -16.3292
            45  O5a O    16.7725  -17.4827
            46  C1b C    18.0944  -16.7142
            47  C1b C    18.7547  -16.3292
            48  S2a S    19.4150  -16.7142
            49  C5a C    20.0808  -16.3292
            50  C1b C    20.7411  -16.7142
            51  O5a O    20.0808  -15.5703
            52  C1b C    21.3917  -16.3292
            53  C1b C    22.0575  -16.7142
            54  O1a O    22.7238  -16.3301
 BOND      56
            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    7   9 1
            54   10  12 1
            55   14  17 1
            56   53  54 1

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