KEGG   RPAIR: RP08252Help
Entry
RP08252                     RPair                                  

Name
C05125_C06006
Compound
C05125  
2-(alpha-Hydroxyethyl)thiamine diphosphate
C06006  
(S)-2-Aceto-2-hydroxybutanoate
Type
trans
RDM
1
1     C1c-C5a:C8y+*-*+C1d:C1a+O1a-C1a+O5a
Related pair
Reaction
Enzyme
KCF data Show

ALIGN       3
            1     6:C1c   2:C5a #R1
            2    10:C1a   6:C1a #M1
            3    11:O1a   7:O5a #M1
            -     2:C8y     *   #D1
            -       *     1:C1d #D1
ENTRY1      
 COMPOUND  C05125
 ATOM      29
            1   N5y N    -1.2034    0.0897 #+
            2   C8y C    -0.8241    0.8241
            3   C8y C    -0.6207   -0.4966
            4   C1b C    -1.9207    0.5000
            5   S2x S    -0.0103    0.6897
            6   C1c C    -1.1966    1.5621
            7   C8y C     0.1138   -0.1241
            8   C1a C    -0.7552   -1.3138
            9   C8y C    -2.6345    0.0862
            10  C1a C    -2.0172    1.6103
            11  O1a O    -0.7414    2.2517
            12  C1b C     0.8483   -0.5034
            13  C8y C    -2.6345   -0.7448
            14  C8x C    -3.3586    0.4966
            15  C1b C     1.5414   -0.0552
            16  N5x N    -3.3586   -1.1690
            17  N1a N    -1.9207   -1.1586
            18  N5x N    -4.0690    0.0862
            19  O2b O     2.2759   -0.4345
            20  C8y C    -4.0690   -0.7448
            21  P1b P     2.9690    0.0138
            22  C1a C    -4.7828   -1.1586
            23  O2c O     3.7034   -0.3655
            24  O1c O     3.2207   -0.7724
            25  O1c O     2.9276    0.8379
            26  P1b P     4.3966    0.0828
            27  O1c O     5.1276   -0.2931
            28  O1c O     4.6483   -0.7034
            29  O1c O     4.3552    0.9069
 BOND      30
            1     1   2 2
            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 1
            9     6  10 1
            10    6  11 1
            11    7  12 1
            12    9  13 2
            13    9  14 1
            14   12  15 1
            15   13  16 1
            16   13  17 1
            17   14  18 2
            18   15  19 1
            19   16  20 2
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   21  24 1
            24   21  25 2
            25   23  26 1
            26   26  27 1
            27   26  28 1
            28   26  29 2
            29    5   7 1
            30   18  20 1
ENTRY2      
 COMPOUND  C06006
 ATOM      10
            1   C1d C    22.1461  -16.0600
            2   C5a C    21.4348  -17.2649
            3   C6a C    23.3638  -15.3551
            4   C1b C    20.9286  -15.3551
            5   O1a O    22.8382  -17.2649
            6   C1a C    22.1333  -18.4761
            7   O5a O    20.0312  -17.2584
            8   O6a O    24.5622  -16.0600
            9   O6a O    23.3510  -13.9515
            10  C1a C    19.7171  -16.0600
 BOND      9
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     3   9 2
            9     4  10 1

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