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]
100Rv000537 100% 0.477 PF01751 C3_S129 - (0)14 2 / 15 / 4 10
101Rv238428 44% 0.523 PF13193 C4_S165 - (24)14 2 / 8 / 6 7
102Rv3315c52 100% 0.583 PF00383 C4_S169 - (51)14 - / - / 33 6
103Rv2763c31 100% 0.917 PF00186 C4_S1153 - (80)14 24 / 4 / 4 9
104Rv2981c61 100% 0.652 PF01820 C1_S1103 - (75)14 - / 16 / 27 6
105Rv3569c28 100% 0.601 PF12697 C1_S144 - (4)14 - / - / 15 7
106Rv2397c46 55% 0.504 PF08402 C1_S129 - (0)14 - / 13 / 11 6
107Rv2916c41 54% 0.606 PF02978 C4_S165 - (0)14 3 / 12 / 17 5
108Rv229633 57% 0.521 PF00561 C1_S168 - (20)14 - / - / 12 0
109Rv107759 47% 0.453 PF00291 C2_S185 - (57)14 - / 5 / 45 5
110Rv2753c50 99% 0.636 PF00701 C3_S161 - (50)13 - / - / 12 2
111Rv006220 100% 0.629 PF01341 C4_S163 - (49)13 - / 1 / 10 4
112Rv169522 100% 0.542 PF01513 C6_S130 - (23)13 - / 8 / 5 5
113Rv073387 100% 0.697 PF05191 C1_S1157 - (144)13 40 / 39 / 3 4
114Rv0242c36 100% 0.626 PF00106 C2_S145 - (26)13 6 / 2 / 7 3
115Rv1745c31 46% 0.394 PF00293 C1_S146 - (26)13 - / 1 / 24 6
116Rv1400c45 44% 0.558 PF07859 C1_S167 - (0)13 - / - / 11 2
117Rv048946 100% 0.524 PF00300 C2_S146 - (39)13 - / - / 23 6
118Rv2321c68 40% 0.281 PF00202 C6_S198 - (72)13 - / - / 26 0
119Rv1273c64 40% 0.423 PF00005 C1_S164 - (64)13 - / 28 / 20 8
120Rv0764c33 100% 0.800 PF00067 C5_S1140 - (3)13 16 / 3 / 11 2
121Rv1872c38 38% 0.598 PF01070 C5_S171 - (49)13 19 / 2 / 7 2
122Rv3309c44 100% 0.511 PF14681 C5_S155 - (42)13 - / 9 / 20 4
123Rv217324 44% 0.517 PF00348 C1_S140 - (27)13 - / - / 13 5
124Rv3247c20 100% 0.905 PF01712 C2_S1100 - (80)13 1 / 16 / 3 9
125Rv174748 34% 0.579 PF00005 C4_S143 - (42)13 - / 1 / 27 6
126Rv154452 45% 0.557 PF00106 C1_S1135 - (86)13 13 / 12 / 7 3
127Rv162994 47% 0.566 PF00476 C5_S1274 - (200)13 58 / 22 / 23 2
128Rv2701c33 100% 0.565 PF00459 C3_S138 - (26)12 - / - / 10 3
129Rv148335 100% 0.595 PF00106 C1_S158 - (36)12 7 / 5 / 2 3
130Rv331948 43% 0.450 PF13085 C4_S157 - (0)12 - / - / 21 0
131Rv082035 34% 0.562 PF00005 C1_S130 - (0)12 - / 13 / 14 6
132Rv321160 46% 0.570 PF00271 C4_S169 - (0)12 3 / 11 / 31 7
133Rv101123 100% 0.529 PF00288 C1_S147 - (37)12 - / 2 / 14 8
134Rv1640c32 46% 0.424 PF01336 C6_S144 - (28)12 - / 7 / 6 6
135Rv3275c29 99% 0.646 PF00731 C5_S129 - (22)12 - / 2 / 14 4
136Rv2965c39 100% 0.574 PF01467 C3_S1129 - (66)12 - / 1 / 17 5
137Rv3313c20 30% 0.416 PF00962 C3_S131 - (5)12 1 / 7 / 4 11
138Rv138932 100% 0.648 PF00625 C1_S158 - (45)12 4 / 7 / 10 5
139Rv1272c49 54% 0.478 PF00005 C1_S153 - (53)12 - / 28 / 3 7
140Rv3257c20 35% 0.521 PF00408 C1_S114 - (13)12 - / 2 / 11 7
141Rv015543 72% 0.598 PF05222 C3_S167 - (64)12 3 / 11 / 8 4
142Rv093340 36% 0.524 PF00005 C1_S134 - (0)12 - / 14 / 15 6
143Rv1562c20 40% 0.479 PF00128 C1_S152 - (0)12 - / 4 / 4 3
144Rv114435 88% 0.585 PF00106 C1_S197 - (70)12 19 / 9 / 6 5
145Rv1014c36 100% 0.557 PF01195 C6_S119 - (0)12 - / 1 / 8 4
146Rv068563 75% 0.588 PF03143 C1_S175 - (0)12 12 / 37 / 8 5
147Rv0447c20 41% 0.554 PF02353 C3_S156 - (35)11 - / 9 / 11 1
148Rv1865c41 37% 0.547 PF00106 C2_S1108 - (74)11 12 / 6 / 4 4
149Rv094533 37% 0.719 PF00106 C1_S1114 - (68)11 4 / 3 / 8 2
150Rv0643c22 68% 0.609 PF02353 C1_S145 - (26)11 2 / 21 / 2 4

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