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]
50spr144062 62% 0.57 PF00271 C1_S173 - (0)18 8 / 18 / 26 5
51spr113547 59% 0.59 PF00180 C6_S163 - (52)17 - / 6 / 26 4
52spr112363 51% 0.63 PF02978 C7_S198 - (68)17 3 / 20 / 21 4
53spr170321 36% 0.57 PF08402 C1_S150 - (0)16 - / 5 / 8 0
54spr108753 56% 0.54 PF00348 C1_S184 - (65)16 - / - / 37 6
55spr072931 52% 0.69 PF02882 C5_S154 - (43)16 7 / 11 / 12 5
56spr038422 54% 0.55 PF07977 C2_S152 - (1)16 - / - / 12 0
57spr132246 70% 0.68 PF01680 C6_S161 - (18)16 - / - / 14 3
58spr118831 48% 0.54 PF00383 C5_S139 - (28)16 - / - / 28 5
59spr163263 98% 0.57 PF00291 C4_S166 - (54)16 6 / 7 / 33 8
60spr195744 73% 0.71 PF02729 C7_S152 - (42)16 - / 7 / 23 5
61spr091945 98% 0.62 PF00701 C3_S1138 - (123)16 - / - / 14 1
62spr038124 50% 0.59 PF00106 C1_S174 - (47)15 5 / 1 / 2 1
63spr147224 63% 0.54 PF07973 C2_S130 - (9)15 1 / 8 / 8 4
64spr177321 34% 0.50 PF00005 C1_S139 - (0)15 - / 4 / 13 5
65spr164424 56% 0.56 PF08402 C1_S155 - (0)15 - / 7 / 8 3
66spr135436 44% 0.65 PF00005 C1_S160 - (56)15 - / 13 / 12 5
67spr072838 63% 0.60 PF00005 C1_S157 - (0)15 - / 17 / 20 6
68spr063022 41% 0.64 PF02581 C3_S150 - (39)15 - / 10 / 13 3
69spr116648 52% 0.57 PF02978 C7_S188 - (0)15 4 / 18 / 16 5
70spr112824 74% 0.56 PF00478 C1_S144 - (27)15 - / 3 / 14 3
71spr103674 100% 0.62 PF03952 C1_S158 - (46)15 - / 3 / 48 9
72spr092872 81% 0.59 PF01041 C1_S1105 - (51)15 - / 2 / 58 3
73spr149946 64% 0.58 PF00300 C3_S144 - (37)15 - / - / 27 6
74spr153630 100% 0.58 PF04650 C5_S161 - (27)15 - / 4 / 18 5
75spr005347 67% 0.63 PF00731 C4_S147 - (29)15 - / 1 / 30 6
76spr104722 98% 0.55 PF10437 C4_S137 - (26)14 2 / 7 / 7 3
77spr154031 53% 0.62 PF01168 C2_S141 - (25)14 - / 6 / 22 4
78spr158332 62% 0.54 PF00625 C4_S143 - (34)14 6 / 11 / 8 5
79spr157719 47% 0.49 PF00069 C2_S189 - (20)14 - / 7 / 7 3
80spr202543 56% 0.59 PF00005 C1_S155 - (0)14 - / 1 / 23 5
81spr081235 43% 0.60 PF00005 C1_S146 - (0)14 - / 14 / 12 3
82spr180130 37% 0.48 PF00005 C1_S165 - (0)14 - / 4 / 11 4
83spr120245 42% 0.52 PF00005 C1_S164 - (0)14 - / 6 / 30 6
84spr074632 55% 0.65 PF00383 C3_S143 - (30)14 - / - / 26 5
85spr118369 48% 0.48 PF00005 C1_S180 - (80)14 - / 2 / 56 8
86spr199144 74% 0.63 PF00370 C3_S169 - (69)14 - / 3 / 24 4
87spr031941 61% 0.38 PF03275 C10_S196 - (75)14 - / 24 / 19 6
88spr062739 53% 0.60 PF01070 C2_S191 - (73)14 6 / 1 / 13 3
89spr167820 43% 0.55 PF08402 C1_S157 - (0)14 - / 9 / 4 1
90spr003526 77% 0.62 PF00155 C1_S149 - (34)14 - / - / 18 1
91spr151553 73% 0.61 PF01820 C1_S199 - (73)14 - / 13 / 30 3
92spr124647 50% 0.55 PF00005 C2_S152 - (0)14 - / 8 / 11 6
93spr109024 51% 0.58 PF00485 C1_S149 - (36)14 5 / 8 / 7 5
94spr112134 64% 0.63 PF00005 C1_S157 - (0)14 - / 13 / 10 5
95spr021090 100% 0.56 PF05191 C3_S1160 - (148)14 54 / 29 / 3 2
96spr040835 56% 0.60 PF00005 C1_S161 - (0)14 - / 16 / 17 5
97spr170445 39% 0.47 PF00005 C1_S160 - (0)14 - / - / 29 6
98spr033925 69% 0.53 PF00288 C1_S148 - (18)13 - / 13 / 5 3
99spr004535 99% 0.46 PF01259 C2_S162 - (48)13 - / 17 / 15 9
100spr145631 100% 0.69 PF02224 C3_S138 - (32)13 - / 11 / 15 6

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