KEGG   RPAIR: RP11543Help
Entry
RP11543                     RPair                                  

Name
C05125_C16255
Compound
C05125  
2-(alpha-Hydroxyethyl)thiamine diphosphate
C16255  
[Dihydrolipoyllysine-residue acetyltransferase] S-acetyldihydrolipoyllysine
Type
main
RDM
1
1     C1c-C5a:C8y+*-*+S2a:C1a+O1a-C1a+O5a
RClass
Reaction
Enzyme
KCF data Show

ALIGN       3
            1     6:C1c  14:C5a #R1
            2    10:C1a  15:C1a #M1
            3    11:O1a  16:O5a #M1
            -     2:C8y     *   #D1
            -       *     8:S2a #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  C16255
 ATOM      16
            1   C1c C    28.5850  -21.3627
            2   C1b C    29.7757  -22.0631
            3   C1b C    27.3945  -22.0631
            4   S1a S    28.5850  -19.9620
            5   C1b C    30.9662  -21.3627
            6   C1b C    26.2038  -21.3627
            7   C1b C    32.2269  -22.0631
            8   S2a S    26.2038  -19.9620
            9   C1b C    33.4174  -21.3627
            10  C5a C    34.6080  -22.0631
            11  O5a O    34.6080  -23.4637
            12  N1b N    35.9387  -21.3627
            13  R   R    37.3393  -21.3627
            14  C5a C    25.0018  -19.2917
            15  C1a C    23.7911  -19.9907
            16  O5a O    24.9913  -17.8941
 BOND      15
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     5   7 1
            7     6   8 1
            8     7   9 1
            9     9  10 1
            10   10  11 2
            11   10  12 1
            12   12  13 1
            13    8  14 1
            14   14  15 1
            15   14  16 2

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