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]
100Rv159546 39% 0.427 PF02910 C2_S138 - (36)5 12 / 16 / 2 2
101Rv1400c45 44% 0.558 PF07859 C1_S167 - (0)13 - / - / 11 2
102Rv346545 100% 0.917 PF00908 C3_S188 - (41)19 - / 1 / 31 9
103Rv1092c45 100% 0.495 PF00485 C3_S1110 - (37)20 6 / 33 / 5 11
104Rv193845 100% 0.522 PF13419 C1_S1141 - (1)20 - / 2 / 26 10
105Rv2361c45 100% 0.584 PF01255 C7_S1107 - (30)20 3 / 23 / 17 14
106Rv0858c45 100% 0.666 PF00155 C1_S171 - (47)20 - / 4 / 31 6
107Rv3758c44 42% 0.436 PF08402 C1_S126 - (0)10 - / 4 / 21 5
108Rv3309c44 100% 0.511 PF14681 C5_S155 - (42)13 - / 9 / 20 4
109Rv143644 61% 0.564 PF00044 C2_S135 - (30)4 12 / 16 / - 2
110Rv391444 100% 0.641 PF00085 C1_S136 - (0)7 - / - / 5 0
111Rv3383c44 43% 0.597 PF00348 C1_S160 - (46)18 - / - / 25 4
112Rv159643 100% 0.763 PF02749 C7_S140 - (16)8 - / - / 22 3
113Rv2832c43 47% 0.455 PF08402 C1_S133 - (0)10 - / 5 / 18 5
114Rv046243 100% 0.542 PF02852 C2_S165 - (58)2 30 / 4 / - 1
115Rv015543 72% 0.598 PF05222 C3_S167 - (64)12 3 / 11 / 8 4
116Rv066743 92% 0.429 PF04560 C6_S182 - (0)0 - / - / 1 0
117Rv123843 51% 0.497 PF08402 C1_S133 - (0)10 - / 7 / 16 5
118Rv1538c43 35% 0.535 PF00710 C10_S135 - (31)11 - / - / 28 3
119Rv2538c42 100% 0.602 PF01202 C5_S157 - (52)6 1 / 18 / 14 2
120Rv1843c42 44% 0.495 PF00478 C1_S147 - (34)15 - / 2 / 28 2
121Rv1928c41 82% 0.587 PF00106 C1_S1111 - (55)14 5 / - / 8 3
122Rv258941 83% 0.590 PF00202 C2_S163 - (36)8 - / - / 17 3
123Rv3610c41 70% 0.634 PF09336 C1_S127 - (0)6 - / 18 / 6 4
124Rv1504c41 67% 0.431 PF01041 C1_S187 - (50)14 - / 3 / 17 6
125Rv2916c41 54% 0.606 PF02978 C4_S165 - (0)14 3 / 12 / 17 5
126Rv224541 100% 0.582 PF02801 C3_S167 - (5)20 14 / 7 / 9 8
127Rv051241 47% 0.544 PF00490 C8_S144 - (21)19 - / 1 / 23 2
128Rv1865c41 37% 0.547 PF00106 C2_S1108 - (74)11 12 / 6 / 4 4
129Rv0425c41 32% 0.345 PF08282 C1_S134 - (25)11 - / - / 14 2
130Rv161740 43% 0.583 PF02887 C8_S126 - (3)11 - / - / 10 4
131Rv3014c40 100% 0.419 PF03119 C4_S150 - (23)20 - / 9 / 30 20
132Rv2497c40 40% 0.458 PF00676 C5_S131 - (22)8 - / 14 / 8 6
133Rv093340 36% 0.524 PF00005 C1_S134 - (0)12 - / 14 / 15 6
134Rv3809c40 100% 0.587 PF03275 C1_S1137 - (87)6 35 / 2 / - 2
135Rv032140 100% 0.516 PF00692 C3_S176 - (50)6 - / - / 19 2
136Rv012639 100% 0.581 PF16657 C1_S141 - (0)10 - / - / 13 5
137Rv2965c39 100% 0.574 PF01467 C3_S1129 - (66)12 - / 1 / 17 5
138Rv224639 100% 0.526 PF02801 C3_S169 - (6)20 - / 22 / 5 7
139Rv332939 40% 0.539 PF00202 C1_S163 - (41)9 - / - / 21 3
140Rv1399c39 46% 0.584 PF00135 C1_S170 - (0)11 - / - / 12 2
141Rv1869c38 40% 0.570 PF02852 C1_S1162 - (102)3 38 / - / 1 1
142Rv0799c38 60% 0.564 PF04261 C3_S150 - (0)4 35 / - / 1 1
143Rv056238 51% 0.630 PF00348 C1_S147 - (29)15 - / - / 23 7
144Rv174638 42% 0.545 PF00069 C3_S1101 - (20)20 2 / 15 / 11 15
145Rv1872c38 38% 0.598 PF01070 C5_S171 - (49)13 19 / 2 / 7 2
146Rv171538 37% 0.455 PF02737 C3_S153 - (43)4 14 / 8 / - 2
147Rv014838 52% 0.561 PF00106 C1_S182 - (57)9 4 / 4 / 7 1
148Rv220737 49% 0.532 PF02277 C10_S166 - (41)17 - / - / 21 7
149Rv066837 50% 0.437 PF04998 C9_S169 - (0)0 - / - / 5 0
150Rv000537 100% 0.477 PF01751 C3_S129 - (0)14 2 / 15 / 4 10

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