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]
100Rv3696c37 63% 0.515 PF00370 C4_S156 - (56)14 - / 3 / 17 4
101Rv108634 100% 0.662 PF01255 C6_S1111 - (32)14 - / 8 / 12 6
102Rv229633 57% 0.521 PF00561 C1_S168 - (20)14 - / - / 12 0
103Rv2555c27 46% 0.449 PF07973 C1_S126 - (20)14 1 / 8 / 8 6
104Rv1928c41 82% 0.587 PF00106 C1_S1111 - (55)14 5 / - / 8 3
105Rv052436 51% 0.520 PF00202 C2_S157 - (27)14 - / - / 36 5
106Rv000537 100% 0.477 PF01751 C3_S129 - (0)14 2 / 15 / 4 10
107Rv2465c32 100% 0.624 PF02502 C8_S144 - (30)14 - / - / 13 4
108Rv238428 44% 0.523 PF13193 C4_S165 - (24)14 2 / 8 / 6 7
109Rv3315c52 100% 0.583 PF00383 C4_S169 - (51)14 - / - / 33 6
110Rv1872c38 38% 0.598 PF01070 C5_S171 - (49)13 19 / 2 / 7 2
111Rv1273c64 40% 0.423 PF00005 C1_S164 - (64)13 - / 28 / 20 8
112Rv0242c36 100% 0.626 PF00106 C2_S145 - (26)13 6 / 2 / 7 3
113Rv3247c20 100% 0.905 PF01712 C2_S1100 - (80)13 1 / 16 / 3 9
114Rv162994 47% 0.566 PF00476 C5_S1274 - (200)13 58 / 22 / 23 2
115Rv169522 100% 0.542 PF01513 C6_S130 - (23)13 - / 8 / 5 5
116Rv174748 34% 0.579 PF00005 C4_S143 - (42)13 - / 1 / 27 6
117Rv0764c33 100% 0.800 PF00067 C5_S1140 - (3)13 16 / 3 / 11 2
118Rv073387 100% 0.697 PF05191 C1_S1157 - (144)13 40 / 39 / 3 4
119Rv048946 100% 0.524 PF00300 C2_S146 - (39)13 - / - / 23 6
120Rv217324 44% 0.517 PF00348 C1_S140 - (27)13 - / - / 13 5
121Rv2321c68 40% 0.281 PF00202 C6_S198 - (72)13 - / - / 26 0
122Rv154452 45% 0.557 PF00106 C1_S1135 - (86)13 13 / 12 / 7 3
123Rv3309c44 100% 0.511 PF14681 C5_S155 - (42)13 - / 9 / 20 4
124Rv2753c50 99% 0.636 PF00701 C3_S161 - (50)13 - / - / 12 2
125Rv1400c45 44% 0.558 PF07859 C1_S167 - (0)13 - / - / 11 2
126Rv1745c31 46% 0.394 PF00293 C1_S146 - (26)13 - / 1 / 24 6
127Rv006220 100% 0.629 PF01341 C4_S163 - (49)13 - / 1 / 10 4
128Rv3257c20 35% 0.521 PF00408 C1_S114 - (13)12 - / 2 / 11 7
129Rv101123 100% 0.529 PF00288 C1_S147 - (37)12 - / 2 / 14 8
130Rv148335 100% 0.595 PF00106 C1_S158 - (36)12 7 / 5 / 2 3
131Rv138932 100% 0.648 PF00625 C1_S158 - (45)12 4 / 7 / 10 5
132Rv015543 72% 0.598 PF05222 C3_S167 - (64)12 3 / 11 / 8 4
133Rv1272c49 54% 0.478 PF00005 C1_S153 - (53)12 - / 28 / 3 7
134Rv3313c20 30% 0.416 PF00962 C3_S131 - (5)12 1 / 7 / 4 11
135Rv3275c29 99% 0.646 PF00731 C5_S129 - (22)12 - / 2 / 14 4
136Rv093340 36% 0.524 PF00005 C1_S134 - (0)12 - / 14 / 15 6
137Rv321160 46% 0.570 PF00271 C4_S169 - (0)12 3 / 11 / 31 7
138Rv1014c36 100% 0.557 PF01195 C6_S119 - (0)12 - / 1 / 8 4
139Rv068563 75% 0.588 PF03143 C1_S175 - (0)12 12 / 37 / 8 5
140Rv114435 88% 0.585 PF00106 C1_S197 - (70)12 19 / 9 / 6 5
141Rv1640c32 46% 0.424 PF01336 C6_S144 - (28)12 - / 7 / 6 6
142Rv1562c20 40% 0.479 PF00128 C1_S152 - (0)12 - / 4 / 4 3
143Rv2701c33 100% 0.565 PF00459 C3_S138 - (26)12 - / - / 10 3
144Rv082035 34% 0.562 PF00005 C1_S130 - (0)12 - / 13 / 14 6
145Rv331948 43% 0.450 PF13085 C4_S157 - (0)12 - / - / 21 0
146Rv2965c39 100% 0.574 PF01467 C3_S1129 - (66)12 - / 1 / 17 5
147Rv3001c23 100% 0.420 PF07991 C2_S142 - (0)11 6 / 7 / 4 4
148Rv170027 100% 0.824 PF00293 C2_S152 - (31)11 - / - / 11 3
149Rv0470c22 100% 0.789 PF02353 C1_S154 - (28)11 3 / 18 / 3 4
150Rv009232 40% 0.404 PF00403 C2_S117 - (0)11 - / 3 / 9 3

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