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]
100Rv1844c29 56% 0.616 PF03446 C2_S131 - (17)11 - / 3 / 11 6
101Rv0533c33 100% 0.696 PF08541 C1_S144 - (26)20 2 / 5 / 20 6
102Rv102351 62% 0.540 PF03952 C1_S135 - (32)10 - / 3 / 26 6
103Rv174748 34% 0.579 PF00005 C4_S143 - (42)13 - / 1 / 27 6
104Rv053525 42% 0.530 PF01048 C2_S132 - (12)9 - / 1 / 12 6
105Rv118762 99% 0.529 PF00171 C3_S179 - (0)20 2 / 21 / 16 6
106Rv082035 34% 0.562 PF00005 C1_S130 - (0)12 - / 13 / 14 6
107Rv2947c29 67% 0.531 PF02801 C3_S119 - (5)10 - / 3 / 8 6
108Rv3411c59 97% 0.484 PF00478 C2_S181 - (56)20 - / 22 / 30 6
109Rv0858c45 100% 0.666 PF00155 C1_S171 - (47)20 - / 4 / 31 6
110Rv3663c30 39% 0.508 PF08402 C2_S112 - (0)10 - / - / 9 5
111Rv2386c25 100% 0.605 PF00425 C1_S117 - (0)9 - / 1 / 7 5
112Rv169522 100% 0.542 PF01513 C6_S130 - (23)13 - / 8 / 5 5
113Rv314036 36% 0.417 PF02771 C2_S156 - (44)9 1 / 16 / - 5
114Rv2192c50 100% 0.631 PF00591 C10_S187 - (1)10 - / 24 / 21 5
115Rv2995c52 100% 0.571 PF00180 C5_S159 - (49)16 - / 8 / 32 5
116Rv068563 75% 0.588 PF03143 C1_S175 - (0)12 12 / 37 / 8 5
117Rv2421c51 100% 0.514 PF01467 C2_S182 - (48)18 12 / 11 / 16 5
118Rv114435 88% 0.585 PF00106 C1_S197 - (70)12 19 / 9 / 6 5
119Rv120822 100% 0.553 PF00535 C4_S151 - (22)11 2 / 6 / 11 5
120Rv2832c43 47% 0.455 PF08402 C1_S133 - (0)10 - / 5 / 18 5
121Rv168931 100% 0.630 PF00579 C3_S136 - (22)7 - / 8 / 13 5
122Rv2038c47 50% 0.499 PF08402 C1_S137 - (0)10 - / 4 / 23 5
123Rv138932 100% 0.648 PF00625 C1_S158 - (45)12 4 / 7 / 10 5
124Rv039121 100% 0.489 PF01053 C1_S126 - (19)10 - / - / 14 5
125Rv2965c39 100% 0.574 PF01467 C3_S1129 - (66)12 - / 1 / 17 5
126Rv0162c58 34% 0.540 PF00107 C1_S1158 - (115)20 1 / - / 35 5
127Rv156924 76% 0.613 PF00155 C1_S133 - (22)10 - / - / 11 5
128Rv090520 100% 0.528 PF00378 C1_S127 - (0)10 - / 11 / - 5
129Rv160322 100% 0.750 PF00977 C1_S133 - (0)8 2 / 4 / 2 5
130Rv185947 40% 0.470 PF08402 C1_S139 - (0)10 - / - / 27 5
131Rv3606c18 36% 0.565 PF01288 C7_S188 - (40)8 - / 3 / 7 5
132Rv161124 100% 0.642 PF00218 C2_S131 - (6)10 - / 5 / 4 5
133Rv107935 86% 0.562 PF01053 C1_S126 - (20)10 - / 1 / 15 5
134Rv3419c22 48% 0.532 PF00814 C3_S136 - (26)10 - / 13 / 4 5
135Rv3436c28 46% 0.616 PF01380 C2_S115 - (14)10 - / - / 11 5
136Rv012639 100% 0.581 PF16657 C1_S141 - (0)10 - / - / 13 5
137Rv3392c22 100% 0.809 PF02353 C1_S150 - (28)9 3 / 18 / 2 5
138Rv3080c19 39% 0.523 PF00069 C3_S140 - (11)7 - / 6 / 6 5
139Rv2150c48 100% 0.616 PF00091 C3_S157 - (0)10 1 / 29 / 13 5
140Rv107759 47% 0.453 PF00291 C2_S185 - (57)14 - / 5 / 45 5
141Rv000999 100% 0.662 PF00160 C6_S1140 - (0)20 - / 43 / 26 5
142Rv052436 51% 0.520 PF00202 C2_S157 - (27)14 - / - / 36 5
143Rv2916c41 54% 0.606 PF02978 C4_S165 - (0)14 3 / 12 / 17 5
144Rv147336 33% 0.495 PF00005 C1_S127 - (0)10 - / 16 / 5 5
145Rv2737c32 100% 0.614 PF09336 C2_S132 - (0)11 - / 11 / 14 5
146Rv391349 100% 0.537 PF07992 C1_S1130 - (112)11 36 / 5 / 6 5
147Rv217324 44% 0.517 PF00348 C1_S140 - (27)13 - / - / 13 5
148Rv1625c50 100% 0.701 PF00211 C6_S192 - (38)18 - / 1 / 31 5
149Rv123843 51% 0.497 PF08402 C1_S133 - (0)10 - / 7 / 16 5
150Rv3758c44 42% 0.436 PF08402 C1_S126 - (0)10 - / 4 / 21 5

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