KEGG   RPAIR: RP15061Help
Entry
RP15061                     RPair                                  

Name
C06717_C19703
Compound
C06717  
Mycothiol
C19703  
1-O-[2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl]-1D-myo-inositol
Type
main
RDM
1
1     N1b-N1a:C5a-*:C1c-C1c
RClass
Related pair
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RP00864 RP00881 RP00975 RP00991 RP01042 RP01057 RP01071
RP01130 RP01172 RP01186 RP01300 RP01330 RP01331 RP01338
RP01391 RP01607 RP01668 RP01931 RP02027 RP02036 RP02037
RP02039 RP02060 RP02199 RP02248 RP02249 RP02291 RP02319
RP02446 RP02448 RP02494 RP02498 RP02500 RP02828 RP03435
RP03478 RP03482 RP03520 RP03533 RP03556 RP03576 RP03587
RP03738 RP03793 RP03875 RP03951 RP03994 RP04010 RP04219
RP04240 RP04262 RP04266 RP04330 RP04409 RP04457 RP04458
 » show all
Reaction
Enzyme
KCF data Show

ALIGN       29
            1     1:C1y   1:C1y
            2     2:C1y   2:C1y
            3     3:C1y   3:C1y
            4     4:C1y   4:C1y
            5     5:C1y   5:C1y
            6     6:C1y   6:C1y
            7     7:C1y   7:C1y
            8     8:C1y   8:C1y
            9     9:C1y   9:C1y
            10   10:C1y  10:C1y
            11   11:C1y  11:C1y
            12   12:O2x  12:O2x
            13   13:O2a  13:O2a
            14   14:N1b  14:N1b
            15   15:O1a  15:O1a
            16   16:C1b  16:C1b
            17   17:O1a  17:O1a
            18   18:O1a  18:O1a
            19   19:O1a  19:O1a
            20   20:O1a  20:O1a
            21   21:O1a  21:O1a
            22   22:O1a  22:O1a
            23   23:O1a  23:O1a
            24   24:C5a  24:C5a
            25   25:C1c  25:C1c #M1
            26   26:N1b  26:N1a #R1
            27   27:C1b  27:C1b
            28   31:O5a  28:O5a
            29   32:S1a  29:S1a
            -    28:C5a     *   #D1
ENTRY1      
 COMPOUND  C06717
 ATOM      32
            1   C1y C     3.6583   -6.4625
            2   C1y C     4.3750   -6.8792
            3   C1y C     5.0927   -6.4642
            4   C1y C     5.0936   -5.6367
            5   C1y C     4.3770   -5.2242
            6   C1y C     3.6593   -5.6350
            7   C1y C     0.7917   -7.2958
            8   C1y C     0.7917   -8.1250
            9   C1y C     1.5120   -8.5417
            10  C1y C     2.2282   -8.1250
            11  C1y C     2.2282   -7.2958
            12  O2x O     1.5120   -6.8833
            13  O2a O     2.9430   -6.8839
            14  N1b N     2.9430   -8.5411
            15  O1a O     0.0732   -8.5420
            16  C1b C     0.0732   -6.8830
            17  O1a O     1.5131   -9.3708
            18  O1a O    -0.6500   -7.2875
            19  O1a O     4.3780   -4.3951
            20  O1a O     5.8108   -6.8817
            21  O1a O     4.3740   -7.7083
            22  O1a O     2.9412   -5.2217
            23  O1a O     5.8128   -5.2251
            24  C5a C     2.9375   -9.3667
            25  C1c C     3.6542   -9.7792
            26  N1b N     4.3733   -9.3675
            27  C1b C     3.6532  -10.6083
            28  C5a C     5.0914   -9.7809
            29  C1a C     5.8106   -9.3692
            30  O5a O     5.0905  -10.6100
            31  O5a O     2.2214   -9.7764
            32  S1a S     2.9340  -11.0241
 BOND      33
            1     7  16 1 #Up
            2     3   4 1
            3     9  17 1 #Up
            4     4   5 1
            5    16  18 1
            6     1  13 1 #Up
            7     5   6 1
            8     5  19 1 #Up
            9     7   8 1
            10    3  20 1 #Up
            11    8   9 1
            12    2  21 1 #Up
            13    9  10 1
            14    6  22 1 #Down
            15   10  11 1
            16    4  23 1 #Down
            17   11  12 1
            18   14  24 1
            19   12   7 1
            20   24  25 1
            21    6   1 1
            22   25  26 1
            23   11  13 1 #Down
            24   25  27 1 #Up
            25   26  28 1
            26   10  14 1 #Down
            27   28  29 1
            28    1   2 1
            29   28  30 2
            30    8  15 1 #Down
            31   24  31 2
            32    2   3 1
            33   27  32 1
ENTRY2      
 COMPOUND  C19703
 ATOM      29
            1   C1y C    29.0018  -17.0804
            2   C1y C    30.2129  -17.7845
            3   C1y C    31.4257  -17.0832
            4   C1y C    31.4272  -15.6849
            5   C1y C    30.2163  -14.9879
            6   C1y C    29.0035  -15.6820
            7   C1y C    24.1578  -18.4885
            8   C1y C    24.1578  -19.8897
            9   C1y C    25.3750  -20.5938
            10  C1y C    26.5852  -19.8897
            11  C1y C    26.5852  -18.4885
            12  O2x O    25.3750  -17.7914
            13  O2a O    27.7931  -17.7924
            14  N1b N    27.7931  -20.5928
            15  O1a O    22.9437  -20.5943
            16  C1b C    22.9437  -17.7909
            17  O1a O    25.3768  -21.9948
            18  O1a O    21.7216  -18.4745
            19  O1a O    30.2180  -13.5869
            20  O1a O    32.6391  -17.7887
            21  O1a O    30.2112  -19.1855
            22  O1a O    27.7901  -14.9837
            23  O1a O    32.6425  -14.9894
            24  C5a C    27.7838  -21.9879
            25  C1c C    28.9949  -22.6849
            26  N1a N    30.2100  -21.9892
            27  C1b C    28.9932  -24.0860
            28  O5a O    26.5737  -22.6802
            29  S1a S    27.7779  -24.7886
 BOND      30
            1     7  16 1 #Up
            2     3   4 1
            3     9  17 1 #Up
            4     4   5 1
            5    16  18 1
            6     1  13 1 #Up
            7     5   6 1
            8     5  19 1 #Up
            9     7   8 1
            10    3  20 1 #Up
            11    8   9 1
            12    2  21 1 #Up
            13    9  10 1
            14    6  22 1 #Down
            15   10  11 1
            16    4  23 1 #Down
            17   11  12 1
            18   14  24 1
            19   12   7 1
            20   24  25 1
            21    6   1 1
            22   25  26 1 #Up
            23   11  13 1 #Down
            24   25  27 1
            25   10  14 1 #Down
            26    1   2 1
            27    8  15 1 #Down
            28   24  28 2
            29    2   3 1
            30   27  29 1

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