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]
150spr053528 61% 0.50 PF00005 C1_S141 - (0)6 - / - / 7 2
151spr109227 40% 0.56 PF01509 C3_S131 - (0)4 3 / 1 / 6 0
152spr110827 50% 0.48 PF14815 C3_S168 - (0)9 10 / 2 / 11 2
153spr022227 40% 0.49 PF08402 C1_S133 - (0)11 - / 11 / 5 2
154spr143527 52% 0.50 PF00156 C4_S169 - (53)11 - / 10 / 16 2
155spr074427 59% 0.54 PF07831 C5_S129 - (4)12 - / - / 14 6
156spr089227 55% 0.33 PF00293 C3_S198 - (41)12 - / - / 13 1
157spr110627 69% ? PF00512 C2_S142 - (37)10 6 / 13 / - 4
158spr133627 35% 0.59 PF00271 C2_S144 - (0)13 - / 9 / 10 3
159spr137626 69% 0.55 PF00155 C1_S132 - (26)3 - / - / 9 1
160spr069626 58% 0.60 PF09334 C2_S130 - (0)4 - / - / 7 0
161spr188126 43% 0.57 PF00749 C6_S119 - (16)6 - / 4 / 7 2
162spr040126 43% 0.53 PF02776 C6_S1100 - (50)18 14 / 7 / 15 1
163spr191726 46% 0.54 PF02446 C4_S1106 - (17)12 - / 1 / 8 2
164spr005426 50% 0.53 PF02222 C2_S148 - (35)8 - / 7 / 13 5
165spr052526 40% 0.59 PF00005 C1_S152 - (0)13 - / 2 / 17 4
166spr157026 100% 0.60 PF00368 C3_S133 - (23)12 - / 4 / 4 2
167spr148626 52% 0.61 PF02580 C6_S129 - (0)12 - / 1 / 6 1
168spr003526 77% 0.62 PF00155 C1_S149 - (34)14 - / - / 18 1
169spr139725 44% 0.46 PF01336 C8_S187 - (49)9 - / 12 / - 5
170spr050625 99% 0.56 PF00232 C1_S151 - (40)11 - / 1 / 7 4
171spr154425 60% 0.45 PF07516 C4_S116 - (0)2 - / 2 / 6 1
172spr123925 50% 0.51 PF09154 C1_S138 - (0)7 6 / - / 8 2
173spr117925 46% 0.42 PF04261 C3_S164 - (0)8 5 / - / 5 1
174spr154225 38% 0.58 PF00793 C4_S116 - (16)6 - / - / 6 2
175spr024825 69% 0.55 PF00164 8 - (0)0 - / - / - 0
176spr051425 47% 0.53 PF01717 C4_S121 - (15)6 - / 2 / 6 4
177spr002825 64% 0.56 PF13793 C5_S122 - (18)6 - / - / 10 2
178spr040325 62% 0.51 PF07991 C3_S135 - (0)11 5 / 6 / 8 3
179spr183925 62% 0.50 PF01451 C4_S119 - (2)12 - / 2 / 13 6
180spr033925 69% 0.53 PF00288 C1_S148 - (18)13 - / 13 / 5 3
181spr026825 54% ? PF01227 C9_S126 - (0)8 - / - / 23 3
182spr163425 42% 0.49 PF00218 C6_S127 - (7)10 - / 6 / 5 4
183spr142924 94% 0.63 PF00186 C6_S1149 - (93)20 5 / 10 / 10 4
184spr053024 49% 0.70 PF01116 C1_S129 - (21)11 - / - / 15 3
185spr005724 99% 0.61 PF04650 C3_S140 - (8)11 - / 3 / 7 4
186spr058824 46% 0.49 PF01715 C3_S139 - (11)8 - / - / 8 3
187spr029024 89% 0.56 PF00106 C1_S178 - (51)7 1 / 2 / 6 2
188spr026224 67% 0.60 PF00107 C1_S154 - (32)10 1 / 1 / 3 0
189spr188824 41% 0.45 PF00488 C3_S158 - (0)2 - / 1 / 9 0
190spr112824 74% 0.56 PF00478 C1_S144 - (27)15 - / 3 / 14 3
191spr037224 56% 0.42 PF00587 C1_S143 - (40)9 - / 6 / 7 2
192spr109024 51% 0.58 PF00485 C1_S149 - (36)14 5 / 8 / 7 5
193spr178124 64% 0.58 PF00275 C7_S126 - (11)8 - / 4 / 6 3
194spr154324 39% 0.49 PF00793 C5_S116 - (16)6 - / - / 6 2
195spr083424 41% 0.44 PF14748 C1_S132 - (0)5 - / - / 7 0
196spr164424 56% 0.56 PF08402 C1_S155 - (0)15 - / 7 / 8 3
197spr147224 63% 0.54 PF07973 C2_S130 - (9)15 1 / 8 / 8 4
198spr190324 47% 0.55 PF00483 C1_S144 - (33)9 - / 11 / 5 3
199spr038124 50% 0.59 PF00106 C1_S174 - (47)15 5 / 1 / 2 1
200spr085424 66% 0.35 PF05222 C8_S161 - (51)9 - / - / 6 0

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