Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000001584 (Mycobacterium tuberculosis April 2016)

Download : Data.csv | 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]
200Rv3397c32 33% 0.568 PF00494 C4_S149 - (0)18 2 / 2 / 13 9
201Rv0547c26 38% 0.559 PF00106 C2_S1105 - (61)4 2 / 2 / - 1
202Rv3601c26 75% 0.534 PF02261 C3_S146 - (8)2 2 / 1 / 1 1
203Rv379720 33% 0.401 PF02771 C3_S142 - (38)3 2 / 1 / - 1
204Rv0244c20 32% 0.452 PF02771 C3_S133 - (29)3 2 / 1 / - 2
205Rv225932 35% 0.616 PF00107 C1_S1126 - (88)9 2 / - / 7 0
206Rv3646c20 100% 0.518 PF01396 C1_S112 - (0)6 2 / - / 5 2
207Rv193717 36% 0.480 PF00175 C3_S149 - (30)3 2 / - / 2 2
208Rv149320 75% 0.721 PF01642 C3_S111 - (1)2 2 / - / 1 1
209Rv041519 48% 0.478 PF01266 C1_S161 - (46)3 2 / - / - 1
210Rv257315 99% 0.605 PF08546 C6_S133 - (21)1 2 / - / - 1
211Rv306619 100% 0.677 PF00440 C1_S116 - (0)2 2 / - / - 1
212Rv0375c22 39% 0.518 PF00941 C7_S113 - (8)1 2 / - / - 1
213Rv3557c15 100% 0.614 PF00440 C1_S125 - (0)1 2 / - / - 1
214Rv136816 99% 0.656 PF07161 C5_S116 - (0)1 2 / - / - 1
215Rv1411c17 100% 0.550 PF07161 C6_S116 - (0)2 2 / - / - 2
216Rv3303c20 100% 0.536 PF02852 C1_S139 - (35)1 2 / - / - 1
217Rv181720 42% 0.498 PF00890 C5_S163 - (42)2 2 / - / - 1
218Rv2150c48 100% 0.616 PF00091 C3_S157 - (0)10 1 / 29 / 13 5
219Rv2906c57 76% 0.457 PF01746 C9_S158 - (20)20 1 / 25 / 25 26
220Rv328557 48% 0.465 PF02786 C3_S164 - (31)20 1 / 20 / 27 18
221Rv2538c42 100% 0.602 PF01202 C5_S157 - (52)6 1 / 18 / 14 2
222Rv3247c20 100% 0.905 PF01712 C2_S1100 - (80)13 1 / 16 / 3 9
223Rv314036 36% 0.417 PF02771 C2_S156 - (44)9 1 / 16 / - 5
224Rv0752c36 53% 0.537 PF02771 C2_S156 - (51)4 1 / 15 / 5 2
225Rv171230 73% 0.560 PF02224 C3_S132 - (29)14 1 / 13 / 11 6
226Rv3596c22 68% 0.416 PF10431 C2_S120 - (0)6 1 / 13 / 2 3
227Rv0384c13 63% 0.671 PF10431 C4_S114 - (0)6 1 / 11 / - 3
228Rv2380c26 39% 0.499 PF00550 C1_S153 - (26)10 1 / 10 / 2 6
229Rv0975c25 84% 0.517 PF02771 C2_S158 - (46)5 1 / 10 / - 3
230Rv3764c21 37% 0.616 PF00512 C2_S139 - (30)6 1 / 9 / 2 4
231Rv1354c37 39% 0.475 PF00196 C3_S134 - (0)6 1 / 8 / 12 2
232Rv2555c27 46% 0.449 PF07973 C1_S126 - (20)14 1 / 8 / 8 6
233Rv3313c20 30% 0.416 PF00962 C3_S131 - (5)12 1 / 7 / 4 11
234Rv098221 38% 0.525 PF00512 C2_S137 - (27)7 1 / 7 / 1 4
235Rv0262c19 100% 0.686 PF00583 C2_S151 - (28)2 1 / 7 / - 1
236Rv3198c22 36% 0.493 PF13361 C2_S137 - (0)2 1 / 5 / 4 0
237Rv339131 41% 0.454 PF00106 C1_S172 - (47)11 1 / 5 / 3 2
238Rv0751c24 46% 0.512 PF03446 C1_S132 - (20)7 1 / 5 / 1 2
239Rv2157c20 34% 0.506 PF08245 C2_S149 - (20)10 1 / 3 / 4 4
240Rv1007c25 75% 0.531 PF01588 C4_S121 - (0)3 1 / 3 / 1 3
241Rv16887 38% 0.442 PF02245 C6_S124 - (0)1 1 / 3 / 1 0
242Rv3404c20 99% 0.631 PF00551 C6_S155 - (0)5 1 / 3 / - 2
243Rv2986c28 100% 0.578 PF00216 C8_S160 - (0)3 1 / 2 / 9 0
244Rv112122 79% 0.525 PF00479 C5_S123 - (21)5 1 / 2 / 3 2
245Rv12868 31% 0.475 PF03143 C4_S112 - (0)3 1 / 2 / - 2
246Rv2231c19 33% 0.466 PF00155 C1_S129 - (25)7 1 / 1 / 4 4
247Rv134620 100% 0.529 PF02771 C2_S132 - (25)2 1 / 1 / 1 2
248Rv0162c58 34% 0.540 PF00107 C1_S1158 - (115)20 1 / - / 35 5
249Rv0851c30 78% 0.695 PF00106 C1_S1141 - (91)9 1 / - / 10 1
250Rv1133c20 50% 0.515 PF01717 C5_S120 - (11)9 1 / - / 8 4

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