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]
100Rv239123 100% 0.524 PF03460 C2_S162 - (21)5 6 / - / 16 1
101Rv177728 32% 0.494 PF00067 C5_S1170 - (0)6 6 / - / 2 1
102Rv1908c27 100% 0.476 PF00141 C5_S131 - (0)6 6 / - / 1 2
103Rv144220 40% 0.530 PF01568 C3_S164 - (0)5 6 / - / - 1
104Rv1454c22 99% 0.577 PF00107 C1_S152 - (25)5 6 / - / - 2
105Rv172620 42% 0.595 PF01565 C1_S178 - (55)2 6 / - / - 1
106Rv099813 100% 0.529 PF02197 C1_S131 - (0)2 6 / - / - 1
107Rv067222 46% 0.446 PF02771 C3_S141 - (35)2 6 / - / - 1
108Rv1245c34 37% 0.518 PF00106 C2_S1104 - (73)9 5 / 10 / 1 3
109Rv051016 46% 0.487 PF03900 C4_S123 - (1)4 5 / 10 / - 2
110Rv086029 100% 0.640 PF02737 C2_S138 - (37)4 5 / 5 / - 2
111Rv2786c31 53% 0.584 PF01687 C5_S142 - (33)5 5 / 4 / 4 3
112Rv0823c20 31% 0.555 PF01207 C4_S140 - (30)2 5 / 3 / - 1
113Rv3801c20 93% 0.515 PF13193 C4_S159 - (31)5 5 / 1 / 2 4
114Rv1928c41 82% 0.587 PF00106 C1_S1111 - (55)14 5 / - / 8 3
115Rv1882c28 36% 0.378 PF00106 C1_S1123 - (77)8 5 / - / 4 2
116Rv247028 100% 0.629 PF01152 C5_S155 - (0)4 5 / - / 3 2
117Rv3266c23 37% 0.530 PF04321 C1_S143 - (40)4 5 / - / 1 2
118Rv2249c19 32% 0.558 PF01266 C2_S156 - (34)3 5 / - / 1 1
119Rv359211 100% 0.647 PF03992 C1_S138 - (0)2 5 / - / - 1
120Rv053620 33% 0.531 PF01370 C1_S150 - (42)2 5 / - / - 1
121Rv2924c64 37% 0.542 PF06827 C7_S1165 - (0)5 4 / 31 / 28 0
122Rv2921c47 48% 0.639 PF02978 C6_S161 - (0)15 4 / 13 / 12 4
123Rv171325 49% 0.605 PF01926 C2_S131 - (0)4 4 / 13 / - 2
124Rv2976c52 100% 0.615 PF03167 C9_S185 - (0)20 4 / 8 / 27 12
125Rv138932 100% 0.648 PF00625 C1_S158 - (45)12 4 / 7 / 10 5
126Rv087325 38% 0.496 PF02771 C2_S157 - (45)6 4 / 6 / 4 2
127Rv014838 52% 0.561 PF00106 C1_S182 - (57)9 4 / 4 / 7 1
128Rv151223 54% 0.620 PF01370 C1_S169 - (58)6 4 / 4 / 4 4
129Rv2724c23 53% 0.487 PF02771 C1_S154 - (43)7 4 / 4 / 2 3
130Rv094533 37% 0.719 PF00106 C1_S1114 - (68)11 4 / 3 / 8 2
131Rv163320 65% 0.496 PF00271 C2_S121 - (0)3 4 / 3 / 1 0
132Rv165220 100% 0.568 PF02774 C1_S125 - (12)3 4 / 1 / - 1
133Rv139120 84% 0.548 PF02441 C3_S116 - (9)6 4 / - / 8 3
134Rv194125 41% 0.395 PF00106 C1_S1103 - (72)4 4 / - / 2 2
135Rv2895c20 37% 0.419 PF00175 C5_S136 - (22)4 4 / - / 2 1
136Rv2794c19 100% 0.505 PF01648 C4_S115 - (13)4 4 / - / 1 1
137Rv081919 100% 0.588 PF00583 C1_S139 - (21)2 4 / - / - 2
138Rv0046c20 100% 0.566 PF07994 C2_S139 - (26)1 4 / - / - 1
139Rv0154c20 51% 0.496 PF02771 C1_S158 - (46)2 4 / - / - 1
140Rv2841c17 100% 0.621 PF00575 C7_S14 - (0)2 4 / - / - 0
141Rv2361c45 100% 0.584 PF01255 C7_S1107 - (30)20 3 / 23 / 17 14
142Rv0642c22 100% ? PF02353 C1_S147 - (25)11 3 / 20 / 2 1
143Rv0503c21 100% 0.579 PF02353 C2_S151 - (26)11 3 / 20 / 2 2
144Rv0470c22 100% 0.789 PF02353 C1_S154 - (28)11 3 / 18 / 3 4
145Rv3392c22 100% 0.809 PF02353 C1_S150 - (28)9 3 / 18 / 2 5
146Rv0644c22 100% 0.658 PF02353 C1_S148 - (24)10 3 / 17 / 4 4
147Rv125368 46% 0.606 PF00271 C3_S193 - (0)15 3 / 16 / 34 6
148Rv2500c34 45% 0.466 PF02771 C2_S156 - (47)10 3 / 16 / 4 4
149Rv3356c35 100% 0.528 PF02882 C8_S147 - (34)14 3 / 15 / 7 4
150Rv049026 44% 0.558 PF00512 C2_S135 - (31)8 3 / 15 / 2 4

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