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
2spr041436 40% 0.57 PF11798 C1_S1357 - (316)20 - / 1 / 26 8
3spr003292 51% 0.59 PF00476 C3_S1235 - (173)9 68 / 8 / 10 1
4spr133234 52% 0.66 PF00248 C8_S1187 - (107)19 14 / - / 3 4
5spr087266 54% 0.54 PF06827 C6_S1168 - (0)5 5 / 26 / 33 0
6spr004920 99% 0.66 PF00551 C4_S1162 - (29)6 - / - / 3 0
7spr058519 34% 0.49 PF00303 C7_S1160 - (99)6 - / - / 5 0
8spr021090 100% 0.56 PF05191 C3_S1160 - (148)14 54 / 29 / 3 2
9spr08700 37% ? PF01219 154 - (0)? - / - / - 0
10spr131222 72% 0.53 PF07992 C1_S1154 - (141)10 15 / 5 / 2 1
11spr002311 79% 0.43 PF00692 C4_S1150 - (121)4 - / - / 3 1
12spr142924 94% 0.63 PF00186 C6_S1149 - (93)20 5 / 10 / 10 4
13spr026922 40% 0.56 PF01288 C5_S1145 - (62)20 - / 8 / 13 1
14spr075852 83% 0.51 PF01063 C9_S1143 - (112)20 - / - / 33 4
15spr109972 100% 0.55 PF00521 C7_S1142 - (0)9 - / 6 / 52 0
16spr178321 42% 0.62 PF01467 C1_S1142 - (74)11 - / 2 / 4 1
17spr051721 50% 0.62 PF06426 C2_S1142 - (105)7 - / - / 5 1
18spr091945 98% 0.62 PF00701 C3_S1138 - (123)16 - / - / 14 1
19spr083570 49% 0.61 PF01712 C2_S1136 - (87)20 9 / 20 / 32 17
20spr081920 40% 0.50 PF05175 C1_S1135 - (106)4 - / - / 3 0
21spr074149 46% 0.47 PF00485 C3_S1134 - (60)20 4 / 36 / 3 11
22spr001197 58% 0.56 PF00156 C3_S1132 - (72)20 - / 24 / 55 17
23spr164747 60% 0.62 PF16363 C1_S1132 - (118)10 46 / 5 / - 2
24spr024055 100% 0.65 PF01255 C8_S1131 - (44)20 10 / 13 / 24 14
25spr168321 43% 0.46 PF16363 C1_S1130 - (118)5 2 / 1 / 1 0
26spr141021 42% 0.44 PF08282 C1_S1130 - (0)8 1 / 2 / 5 0
27spr131041 100% 0.47 PF01327 C6_S1127 - (28)20 - / 6 / 26 14
28spr166041 42% 0.48 PF03372 C2_S1124 - (0)12 - / 7 / 15 1
29spr146048 58% 0.65 PF16363 C1_S1122 - (110)10 46 / 6 / - 2
30spr139386 56% 0.55 PF00160 C1_S1119 - (8)20 1 / 12 / 34 21
31spr191677 70% 0.54 PF00343 C4_S1119 - (30)20 - / 20 / 42 33
32spr142120 56% 0.62 PF07992 C1_S1117 - (79)2 8 / - / - 1
33spr067988 51% 0.67 PF00160 C4_S1116 - (3)20 1 / 8 / 33 24
34spr045820 65% 0.46 PF01230 C3_S1116 - (0)8 - / 2 / 6 1
35spr172522 42% 0.41 PF00106 C1_S1116 - (80)11 8 / - / 4 2
36spr186993 51% 0.56 PF01702 C6_S1116 - (39)20 3 / 39 / 49 57
37spr163572 42% 0.55 PF00591 C6_S1114 - (0)20 - / 30 / 28 2
38spr089483 100% 0.61 PF01048 C1_S1112 - (64)20 - / 46 / 20 16
39spr075761 100% 0.54 PF00521 C6_S1111 - (0)10 - / 3 / 43 1
40spr045598 81% 0.61 PF00012 C2_S1110 - (0)20 15 / 57 / 10 9
41spr115621 57% 0.64 PF00156 C5_S1110 - (73)6 - / 7 / 6 2
42spr18898 41% 0.62 PF02863 C6_S1109 - (0)3 - / - / 1 0
43spr169861 51% 0.49 PF16657 C1_S1108 - (0)20 - / - / 40 6
44spr14086 38% 0.48 PF01327 C5_S1108 - (25)3 - / - / 3 0
45spr031063 72% 0.54 PF16657 C1_S1108 - (0)20 - / 1 / 37 8
46spr191726 46% 0.54 PF02446 C4_S1106 - (17)12 - / 1 / 8 2
47spr092872 81% 0.59 PF01041 C1_S1105 - (51)15 - / 2 / 58 3
48spr190712 62% 0.65 PF00132 C2_S1103 - (79)1 - / - / 1 0
49spr075643 100% 0.45 PF01751 C4_S1103 - (0)4 - / 4 / 27 1
50spr177756 74% 0.44 PF04560 C2_S1103 - (0)2 - / - / 41 0

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