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]
1spr0672108 65% 0.54 PF01180 C3_S1502 - (200)20 77 / 28 / 13 8
2spr045598 81% 0.61 PF00012 C2_S1110 - (0)20 15 / 57 / 10 9
3spr001197 58% 0.56 PF00156 C3_S1132 - (72)20 - / 24 / 55 17
4spr186993 51% 0.56 PF01702 C6_S1116 - (39)20 3 / 39 / 49 57
5spr003292 51% 0.59 PF00476 C3_S1235 - (173)9 68 / 8 / 10 1
6spr021090 100% 0.56 PF05191 C3_S1160 - (148)14 54 / 29 / 3 2
7spr067988 51% 0.67 PF00160 C4_S1116 - (3)20 1 / 8 / 33 24
8spr139386 56% 0.55 PF00160 C1_S1119 - (8)20 1 / 12 / 34 21
9spr089483 100% 0.61 PF01048 C1_S1112 - (64)20 - / 46 / 20 16
10spr143282 100% 0.58 PF00121 C6_S180 - (58)20 - / - / 47 10
11spr191677 70% 0.54 PF00343 C4_S1119 - (30)20 - / 20 / 42 33
12spr103674 100% 0.62 PF03952 C1_S158 - (46)15 - / 3 / 48 9
13spr073472 80% 0.65 PF01048 C4_S175 - (42)20 - / 7 / 48 22
14spr163572 42% 0.55 PF00591 C6_S1114 - (0)20 - / 30 / 28 2
15spr109972 100% 0.55 PF00521 C7_S1142 - (0)9 - / 6 / 52 0
16spr092872 81% 0.59 PF01041 C1_S1105 - (51)15 - / 2 / 58 3
17spr201570 64% 0.59 PF00291 C3_S179 - (52)20 - / 5 / 50 4
18spr083570 49% 0.61 PF01712 C2_S1136 - (87)20 9 / 20 / 32 17
19spr118369 48% 0.48 PF00005 C1_S180 - (80)14 - / 2 / 56 8
20spr115569 52% 0.59 PF02729 C7_S178 - (39)20 - / 24 / 21 7
21spr026668 100% 0.66 PF00809 C4_S185 - (31)20 - / 3 / 61 25
22spr087266 54% 0.54 PF06827 C6_S1168 - (0)5 5 / 26 / 33 0
23spr151065 67% 0.66 PF00091 C3_S168 - (0)10 - / 17 / 36 5
24spr031063 72% 0.54 PF16657 C1_S1108 - (0)20 - / 1 / 37 8
25spr163263 98% 0.57 PF00291 C4_S166 - (54)16 6 / 7 / 33 8
26spr169663 73% 0.63 PF01177 C2_S161 - (50)10 - / 1 / 49 4
27spr112363 51% 0.63 PF02978 C7_S198 - (68)17 3 / 20 / 21 4
28spr144062 62% 0.57 PF00271 C1_S173 - (0)18 8 / 18 / 26 5
29spr169861 51% 0.49 PF16657 C1_S1108 - (0)20 - / - / 40 6
30spr044161 100% 0.64 PF00162 C6_S192 - (82)20 - / 26 / 23 9
31spr075761 100% 0.54 PF00521 C6_S1111 - (0)10 - / 3 / 43 1
32spr097961 73% 0.67 PF04545 C4_S174 - (0)2 30 / - / 6 0
33spr137959 43% 0.49 PF00005 C1_S182 - (82)12 - / 34 / 6 3
34spr032059 74% 0.72 PF00483 C1_S174 - (31)20 - / 15 / 39 15
35spr134357 75% 0.64 PF03143 C2_S164 - (0)7 15 / 32 / 4 3
36spr177756 74% 0.44 PF04560 C2_S1103 - (0)2 - / - / 41 0
37spr024055 100% 0.65 PF01255 C8_S1131 - (44)20 10 / 13 / 24 14
38spr042454 46% 0.55 PF00232 C5_S186 - (68)20 - / - / 32 17
39spr068754 49% 0.51 PF01746 C5_S164 - (22)20 - / 23 / 29 35
40spr151553 73% 0.61 PF01820 C1_S199 - (73)14 - / 13 / 30 3
41spr108753 56% 0.54 PF00348 C1_S184 - (65)16 - / - / 37 6
42spr075852 83% 0.51 PF01063 C9_S1143 - (112)20 - / - / 33 4
43spr106950 94% 0.80 PF00232 C3_S179 - (63)20 - / - / 33 17
44spr105549 54% 0.60 PF03167 C7_S192 - (0)20 - / 9 / 32 11
45spr002149 75% 0.56 PF00709 C6_S195 - (69)20 - / 37 / 14 7
46spr074149 46% 0.47 PF00485 C3_S1134 - (60)20 4 / 36 / 3 11
47spr177648 54% 0.47 PF04998 95 - (0)0 - / - / - 0
48spr116648 52% 0.57 PF02978 C7_S188 - (0)15 4 / 18 / 16 5
49spr146048 58% 0.65 PF16363 C1_S1122 - (110)10 46 / 6 / - 2
50spr164747 60% 0.62 PF16363 C1_S1132 - (118)10 46 / 5 / - 2

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