Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000586 (2017 - Streptococcus pneumoniae - STRR6: Streptococcus pneumoniae (strain ATCC BAA-255 / R6))

Download : Data.csv | 3D Common Core | 3D Models


Tab legend :
    Full name of ligand selected in the comparative docking column:

    General color information : Quality: [ Good | Correct | Uncertain ]
QueryStructural Alignment (SA)3D Modeling AnnotationLigands from PDB templatesPredicted Complexes - pKd:[ ‹nMol | ‹μMol | ‹mMol ]




Query Sequence
Filter:
Significants
SA found
Seq Ident. 3D Core
(QMean Score)
Classification code

Binding Site Ligands Found
(Procognate)
Profile Complexes by comparative docking
(ligands from PDB templates)

Targets
for screening


Sort by entries

[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
1spr186993 51% 0.56 PF01702 C6_S1116 - (39)20 3 / 39 / 49 57
2spr068754 49% 0.51 PF01746 C5_S164 - (22)20 - / 23 / 29 35
3spr191677 70% 0.54 PF00343 C4_S1119 - (30)20 - / 20 / 42 33
4spr026668 100% 0.66 PF00809 C4_S185 - (31)20 - / 3 / 61 25
5spr067988 51% 0.67 PF00160 C4_S1116 - (3)20 1 / 8 / 33 24
6spr153145 99% 0.56 PF02973 C2_S166 - (25)20 - / 6 / 34 23
7spr073472 80% 0.65 PF01048 C4_S175 - (42)20 - / 7 / 48 22
8spr139386 56% 0.55 PF00160 C1_S1119 - (8)20 1 / 12 / 34 21
9spr083570 49% 0.61 PF01712 C2_S1136 - (87)20 9 / 20 / 32 17
10spr042454 46% 0.55 PF00232 C5_S186 - (68)20 - / - / 32 17
11spr106950 94% 0.80 PF00232 C3_S179 - (63)20 - / - / 33 17
12spr001197 58% 0.56 PF00156 C3_S1132 - (72)20 - / 24 / 55 17
13spr089483 100% 0.61 PF01048 C1_S1112 - (64)20 - / 46 / 20 16
14spr032059 74% 0.72 PF00483 C1_S174 - (31)20 - / 15 / 39 15
15spr102434 100% 0.52 PF03119 C7_S158 - (27)20 2 / 16 / 18 14
16spr131041 100% 0.47 PF01327 C6_S1127 - (28)20 - / 6 / 26 14
17spr024055 100% 0.65 PF01255 C8_S1131 - (44)20 10 / 13 / 24 14
18spr185432 51% 0.53 PF00871 C7_S159 - (50)20 2 / 11 / 14 12
19spr074149 46% 0.47 PF00485 C3_S1134 - (60)20 4 / 36 / 3 11
20spr105549 54% 0.60 PF03167 C7_S192 - (0)20 - / 9 / 32 11
21spr143282 100% 0.58 PF00121 C6_S180 - (58)20 - / - / 47 10
22spr044161 100% 0.64 PF00162 C6_S192 - (82)20 - / 26 / 23 9
23spr004535 99% 0.46 PF01259 C2_S162 - (48)13 - / 17 / 15 9
24spr050732 73% 0.50 PF01409 C2_S127 - (14)11 2 / 4 / 8 9
25spr045598 81% 0.61 PF00012 C2_S1110 - (0)20 15 / 57 / 10 9
26spr037735 99% 0.52 PF08541 C2_S167 - (36)20 3 / 17 / 4 9
27spr103674 100% 0.62 PF03952 C1_S158 - (46)15 - / 3 / 48 9
28spr100544 51% 0.56 PF01513 C8_S172 - (32)20 - / 10 / 38 9
29spr0672108 65% 0.54 PF01180 C3_S1502 - (200)20 77 / 28 / 13 8
30spr163263 98% 0.57 PF00291 C4_S166 - (54)16 6 / 7 / 33 8
31spr031063 72% 0.54 PF16657 C1_S1108 - (0)20 - / 1 / 37 8
32spr118369 48% 0.48 PF00005 C1_S180 - (80)14 - / 2 / 56 8
33spr041436 40% 0.57 PF11798 C1_S1357 - (316)20 - / 1 / 26 8
34spr002149 75% 0.56 PF00709 C6_S195 - (69)20 - / 37 / 14 7
35spr177547 55% 0.65 PF00334 C6_S179 - (69)20 - / 10 / 25 7
36spr071537 81% 0.55 PF01751 C2_S139 - (0)13 8 / 17 / 5 7
37spr115569 52% 0.59 PF02729 C7_S178 - (39)20 - / 24 / 21 7
38spr137731 43% 0.59 PF01053 C1_S127 - (22)12 - / 2 / 16 6
39spr073145 75% 0.51 PF06026 C9_S151 - (21)18 - / - / 27 6
40spr170445 39% 0.47 PF00005 C1_S160 - (0)14 - / - / 29 6
41spr143739 55% 0.56 PF08402 C2_S133 - (0)13 - / 3 / 19 6
42spr072838 63% 0.60 PF00005 C1_S157 - (0)15 - / 17 / 20 6
43spr120245 42% 0.52 PF00005 C1_S164 - (0)14 - / 6 / 30 6
44spr097820 48% 0.51 PF01807 C4_S116 - (0)8 - / 6 / 4 6
45spr074427 59% 0.54 PF07831 C5_S129 - (4)12 - / - / 14 6
46spr009218 36% 0.56 PF02719 C1_S173 - (67)8 4 / 8 / 8 6
47spr145631 100% 0.69 PF02224 C3_S138 - (32)13 - / 11 / 15 6
48spr123539 68% 0.60 PF01487 C5_S142 - (16)20 - / - / 26 6
49spr183925 62% 0.50 PF01451 C4_S119 - (2)12 - / 2 / 13 6
50spr031941 61% 0.38 PF03275 C10_S196 - (75)14 - / 24 / 19 6

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