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]
1spr151418 100% 0.58 PF08245 C3_S129 - (17)4 2 / 2 / 1 1
2spr082019 100% 0.55 PF03435 C3_S119 - (11)2 3 / - / - 1
3spr190920 100% 0.61 PF00905 C1_S118 - (0)1 - / - / 1 1
4spr109972 100% 0.55 PF00521 C7_S1142 - (0)9 - / 6 / 52 0
5spr030419 100% ? PF00905 C1_S122 - (0)9 - / 1 / 8 3
6spr117516 100% 0.55 PF00258 C1_S161 - (61)2 2 / - / - 1
7spr197813 100% 0.64 PF01047 19 - (0)? - / - / - 0
8spr153630 100% 0.58 PF04650 C5_S161 - (27)15 - / 4 / 18 5
9spr20236 100% 0.66 PF04085 2 - (0)0 - / - / - 0
10spr176018 100% 0.60 PF13302 C1_S148 - (0)3 6 / - / - 1
11spr044015 100% 0.48 PF03256 5 - (0)1 - / - / - 0
12spr166513 100% 0.49 PF06044 C5_S113 - (0)2 - / 4 / 2 0
13spr124320 100% 0.58 -C1_S139 - (0)7 - / - / 7 2
14spr197120 100% 0.68 PF05025 13 - (0)? - / - / - 0
15spr084715 100% 0.55 PF00575 5 - (0)0 - / - / - 0
16spr028622 100% 0.77 PF08124 C1_S133 - (0)9 1 / 1 / 11 4
17spr021090 100% 0.56 PF05191 C3_S1160 - (148)14 54 / 29 / 3 2
18spr125718 100% 0.48 PF12849 C2_S18 - (0)? - / - / 1 0
19spr033720 100% 0.56 PF01183 C3_S111 - (0)3 - / - / 3 1
20spr008317 100% 0.60 -43 - (0)2 - / - / - 0
21spr033619 100% 0.72 PF00486 12 - (0)? - / - / - 0
22spr093417 100% 0.65 PF01497 C2_S149 - (0)6 3 / 2 / 2 2
23spr114417 100% 0.58 PF03641 5 - (0)? - / - / - 0
24spr151720 100% 0.52 PF00905 19 - (0)1 - / - / - 0
25spr202115 100% 0.63 PF00877 8 - (0)1 - / - / - 0
26spr13457 100% 0.44 -2 - (0)1 - / - / - 0
27spr014616 100% 0.56 PF00497 19 - (0)? - / - / - 0
28spr04858 100% 0.75 PF07516 6 - (0)? - / - / - 0
29spr109818 100% 0.48 -4 - (0)? - / - / - 0
30spr106110 100% 0.73 PF00444 0 - (0)? - / - / - 0
31spr110710 100% 0.60 PF00072 C2_S197 - (0)3 - / - / 1 0
32spr103674 100% 0.62 PF03952 C1_S158 - (46)15 - / 3 / 48 9
33spr17332 100% 0.70 PF00157 C4_S13 - (0)1 - / - / 2 1
34spr01796 100% 0.77 -11 - (0)2 - / - / - 0
35spr038028 100% 0.62 PF00698 C1_S121 - (11)8 - / - / 9 2
36spr055420 100% 0.64 PF01079 C5_S110 - (0)5 - / - / 4 1
37spr069013 100% 0.61 PF03830 C2_S118 - (0)5 2 / - / 6 3
38spr07332 100% 0.60 PF07745 11 - (0)? - / - / - 0
39spr034014 100% 0.61 PF00288 C2_S124 - (17)2 - / 2 / - 1
40spr175415 100% 0.59 PF01183 C2_S117 - (0)3 - / 2 / 2 2
41spr135215 100% 0.71 PF00085 7 - (0)? - / - / - 0
42spr181420 100% 0.68 PF00072 14 - (0)? - / - / - 0
43spr149420 100% 0.90 PF01297 C7_S110 - (0)2 - / - / 9 1
44spr143118 100% 0.49 PF01183 C2_S122 - (0)3 - / - / 2 1
45spr075643 100% 0.45 PF01751 C4_S1103 - (0)4 - / 4 / 27 1
46spr033818 100% 0.58 PF00288 C1_S136 - (24)4 - / - / 4 1
47spr121728 100% 0.52 PF01641 12 - (1)7 - / - / - 0
48spr20074 100% 0.65 PF01423 10 - (0)? - / - / - 0
49spr173920 100% 0.47 PF01289 C7_S14 - (0)3 - / - / 2 1
50spr157026 100% 0.60 PF00368 C3_S133 - (23)12 - / 4 / 4 2

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