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]
1spr026668 100% 0.66 PF00809 C4_S185 - (31)20 - / 3 / 61 25
2spr153145 99% 0.56 PF02973 C2_S166 - (25)20 - / 6 / 34 23
3spr142924 94% 0.63 PF00186 C6_S1149 - (93)20 5 / 10 / 10 4
4spr026922 40% 0.56 PF01288 C5_S1145 - (62)20 - / 8 / 13 1
5spr131041 100% 0.47 PF01327 C6_S1127 - (28)20 - / 6 / 26 14
6spr073830 82% 0.54 PF01048 C1_S176 - (54)20 - / - / 24 5
7spr024055 100% 0.65 PF01255 C8_S1131 - (44)20 10 / 13 / 24 14
8spr045598 81% 0.61 PF00012 C2_S1110 - (0)20 15 / 57 / 10 9
9spr100544 51% 0.56 PF01513 C8_S172 - (32)20 - / 10 / 38 9
10spr068754 49% 0.51 PF01746 C5_S164 - (22)20 - / 23 / 29 35
11spr169861 51% 0.49 PF16657 C1_S1108 - (0)20 - / - / 40 6
12spr075852 83% 0.51 PF01063 C9_S1143 - (112)20 - / - / 33 4
13spr143282 100% 0.58 PF00121 C6_S180 - (58)20 - / - / 47 10
14spr038528 60% 0.53 PF02786 C1_S166 - (32)20 - / 14 / 11 3
15spr139386 56% 0.55 PF00160 C1_S1119 - (8)20 1 / 12 / 34 21
16spr002149 75% 0.56 PF00709 C6_S195 - (69)20 - / 37 / 14 7
17spr024422 47% 0.53 PF00232 C2_S190 - (67)20 - / - / 19 2
18spr163123 98% 0.73 PF00290 C3_S157 - (23)20 - / 3 / 14 2
19spr037735 99% 0.52 PF08541 C2_S167 - (36)20 3 / 17 / 4 9
20spr032059 74% 0.72 PF00483 C1_S174 - (31)20 - / 15 / 39 15
21spr106950 94% 0.80 PF00232 C3_S179 - (63)20 - / - / 33 17
22spr067988 51% 0.67 PF00160 C4_S1116 - (3)20 1 / 8 / 33 24
23spr001197 58% 0.56 PF00156 C3_S1132 - (72)20 - / 24 / 55 17
24spr201570 64% 0.59 PF00291 C3_S179 - (52)20 - / 5 / 50 4
25spr0672108 65% 0.54 PF01180 C3_S1502 - (200)20 77 / 28 / 13 8
26spr102434 100% 0.52 PF03119 C7_S158 - (27)20 2 / 16 / 18 14
27spr185432 51% 0.53 PF00871 C7_S159 - (50)20 2 / 11 / 14 12
28spr031063 72% 0.54 PF16657 C1_S1108 - (0)20 - / 1 / 37 8
29spr074149 46% 0.47 PF00485 C3_S1134 - (60)20 4 / 36 / 3 11
30spr105549 54% 0.60 PF03167 C7_S192 - (0)20 - / 9 / 32 11
31spr163572 42% 0.55 PF00591 C6_S1114 - (0)20 - / 30 / 28 2
32spr041436 40% 0.57 PF11798 C1_S1357 - (316)20 - / 1 / 26 8
33spr042454 46% 0.55 PF00232 C5_S186 - (68)20 - / - / 32 17
34spr044161 100% 0.64 PF00162 C6_S192 - (82)20 - / 26 / 23 9
35spr191677 70% 0.54 PF00343 C4_S1119 - (30)20 - / 20 / 42 33
36spr195420 39% 0.45 PF13199 C2_S177 - (0)20 - / - / 15 3
37spr089483 100% 0.61 PF01048 C1_S1112 - (64)20 - / 46 / 20 16
38spr115569 52% 0.59 PF02729 C7_S178 - (39)20 - / 24 / 21 7
39spr083570 49% 0.61 PF01712 C2_S1136 - (87)20 9 / 20 / 32 17
40spr123539 68% 0.60 PF01487 C5_S142 - (16)20 - / - / 26 6
41spr073472 80% 0.65 PF01048 C4_S175 - (42)20 - / 7 / 48 22
42spr183322 53% 0.54 PF00232 C2_S189 - (65)20 - / - / 18 1
43spr186993 51% 0.56 PF01702 C6_S1116 - (39)20 3 / 39 / 49 57
44spr177547 55% 0.65 PF00334 C6_S179 - (69)20 - / 10 / 25 7
45spr203346 91% 0.59 PF00478 C2_S163 - (44)19 - / 12 / 29 5
46spr133234 52% 0.66 PF00248 C8_S1187 - (107)19 14 / - / 3 4
47spr040126 43% 0.53 PF02776 C6_S1100 - (50)18 14 / 7 / 15 1
48spr144062 62% 0.57 PF00271 C1_S173 - (0)18 8 / 18 / 26 5
49spr159233 47% 0.66 PF01467 C2_S183 - (54)18 10 / 9 / 7 5
50spr073145 75% 0.51 PF06026 C9_S151 - (21)18 - / - / 27 6

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