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
9spr106950 94% 0.80 PF00232 C3_S179 - (63)20 - / - / 33 17
10spr001197 58% 0.56 PF00156 C3_S1132 - (72)20 - / 24 / 55 17
11spr083570 49% 0.61 PF01712 C2_S1136 - (87)20 9 / 20 / 32 17
12spr042454 46% 0.55 PF00232 C5_S186 - (68)20 - / - / 32 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
15spr024055 100% 0.65 PF01255 C8_S1131 - (44)20 10 / 13 / 24 14
16spr131041 100% 0.47 PF01327 C6_S1127 - (28)20 - / 6 / 26 14
17spr102434 100% 0.52 PF03119 C7_S158 - (27)20 2 / 16 / 18 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
22spr103674 100% 0.62 PF03952 C1_S158 - (46)15 - / 3 / 48 9
23spr045598 81% 0.61 PF00012 C2_S1110 - (0)20 15 / 57 / 10 9
24spr100544 51% 0.56 PF01513 C8_S172 - (32)20 - / 10 / 38 9
25spr004535 99% 0.46 PF01259 C2_S162 - (48)13 - / 17 / 15 9
26spr044161 100% 0.64 PF00162 C6_S192 - (82)20 - / 26 / 23 9
27spr037735 99% 0.52 PF08541 C2_S167 - (36)20 3 / 17 / 4 9
28spr050732 73% 0.50 PF01409 C2_S127 - (14)11 2 / 4 / 8 9
29spr041436 40% 0.57 PF11798 C1_S1357 - (316)20 - / 1 / 26 8
30spr031063 72% 0.54 PF16657 C1_S1108 - (0)20 - / 1 / 37 8
31spr118369 48% 0.48 PF00005 C1_S180 - (80)14 - / 2 / 56 8
32spr163263 98% 0.57 PF00291 C4_S166 - (54)16 6 / 7 / 33 8
33spr0672108 65% 0.54 PF01180 C3_S1502 - (200)20 77 / 28 / 13 8
34spr115569 52% 0.59 PF02729 C7_S178 - (39)20 - / 24 / 21 7
35spr177547 55% 0.65 PF00334 C6_S179 - (69)20 - / 10 / 25 7
36spr002149 75% 0.56 PF00709 C6_S195 - (69)20 - / 37 / 14 7
37spr071537 81% 0.55 PF01751 C2_S139 - (0)13 8 / 17 / 5 7
38spr137731 43% 0.59 PF01053 C1_S127 - (22)12 - / 2 / 16 6
39spr149946 64% 0.58 PF00300 C3_S144 - (37)15 - / - / 27 6
40spr031941 61% 0.38 PF03275 C10_S196 - (75)14 - / 24 / 19 6
41spr170445 39% 0.47 PF00005 C1_S160 - (0)14 - / - / 29 6
42spr143739 55% 0.56 PF08402 C2_S133 - (0)13 - / 3 / 19 6
43spr108753 56% 0.54 PF00348 C1_S184 - (65)16 - / - / 37 6
44spr123539 68% 0.60 PF01487 C5_S142 - (16)20 - / - / 26 6
45spr062235 52% 0.62 PF00005 C1_S151 - (0)13 - / 10 / 22 6
46spr074427 59% 0.54 PF07831 C5_S129 - (4)12 - / - / 14 6
47spr124647 50% 0.55 PF00005 C2_S152 - (0)14 - / 8 / 11 6
48spr073145 75% 0.51 PF06026 C9_S151 - (21)18 - / - / 27 6
49spr183925 62% 0.50 PF01451 C4_S119 - (2)12 - / 2 / 13 6
50spr009218 36% 0.56 PF02719 C1_S173 - (67)8 4 / 8 / 8 6

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