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]
100Rv1498A28 100% 0.591 PF07311 C11_S1106 - (0)7 - / - / 8 2
101Rv1542c24 100% 0.610 PF01152 C6_S1105 - (0)8 19 / - / 3 2
102Rv037911 97% 0.680 PF07311 C11_S1105 - (0)2 - / - / 1 0
103Rv135034 46% 0.572 PF00106 C1_S1105 - (69)15 10 / 2 / 3 3
104Rv0547c26 38% 0.559 PF00106 C2_S1105 - (61)4 2 / 2 / - 1
105Rv1245c34 37% 0.518 PF00106 C2_S1104 - (73)9 5 / 10 / 1 3
106Rv155320 50% 0.460 PF13085 104 - (0)? - / - / - 0
107Rv2981c61 100% 0.652 PF01820 C1_S1103 - (75)14 - / 16 / 27 6
108Rv194125 41% 0.395 PF00106 C1_S1103 - (72)4 4 / - / 2 2
109Rv379034 100% 0.511 PF01565 C1_S1103 - (55)3 34 / - / 1 1
110Rv0943c17 38% 0.377 PF07992 102 - (81)? - / - / - 0
111Rv174638 42% 0.545 PF00069 C3_S1101 - (20)20 2 / 15 / 11 15
112Rv138516 52% 0.424 PF00215 C4_S1101 - (97)5 - / - / 6 2
113Rv3247c20 100% 0.905 PF01712 C2_S1100 - (80)13 1 / 16 / 3 9
114Rv3674c13 45% 0.530 PF00730 C6_S1100 - (0)2 - / 3 / 1 0
115Rv0484c27 39% 0.530 PF00106 C1_S1100 - (69)7 13 / - / 2 2
116Rv3509c18 36% 0.478 PF02776 100 - (35)? - / - / - 0
117Rv1106c19 35% 0.337 PF01370 C1_S1100 - (80)2 - / 4 / - 1
118Rv2321c68 40% 0.281 PF00202 C6_S198 - (72)13 - / - / 26 0
119Rv114435 88% 0.585 PF00106 C1_S197 - (70)12 19 / 9 / 6 5
120Rv317420 34% 0.491 PF00106 C2_S196 - (51)6 3 / 2 / 2 2
121Rv1812c19 35% 0.438 PF07992 96 - (64)? - / - / - 0
122Rv161282 100% 0.581 PF00291 C3_S196 - (88)18 7 / 13 / 39 10
123Rv1393c30 36% 0.543 PF07992 C2_S195 - (73)5 7 / 14 / - 2
124Rv2445c99 100% 0.587 PF00334 C7_S195 - (73)20 - / 27 / 60 20
125Rv200223 99% 0.678 PF00106 C1_S194 - (62)6 10 / 3 / 1 2
126Rv143764 49% 0.645 PF00162 C9_S194 - (83)20 - / 30 / 22 9
127Rv125368 46% 0.606 PF00271 C3_S193 - (0)15 3 / 16 / 34 6
128Rv1625c50 100% 0.701 PF00211 C6_S192 - (38)18 - / 1 / 31 5
129Rv3548c25 89% 0.577 PF00106 C2_S191 - (58)6 3 / - / 2 1
130Rv000653 100% 0.574 PF00521 C5_S191 - (0)7 - / 1 / 35 0
131Rv208823 44% 0.456 PF00069 C3_S190 - (19)9 - / 6 / 8 4
132Rv258220 37% 0.526 PF00160 C2_S190 - (0)3 - / 2 / 1 0
133Rv378420 34% 0.545 PF16363 89 - (81)? - / - / - 0
134Rv2766c20 40% 0.591 PF00106 C1_S189 - (56)1 - / - / 1 1
135Rv3606c18 36% 0.565 PF01288 C7_S188 - (40)8 - / 3 / 7 5
136Rv2970A4 65% 0.398 PF00248 C10_S188 - (87)2 - / - / 2 1
137Rv1666c20 33% 0.461 PF00067 88 - (6)1 - / - / - 0
138Rv1317c22 32% 0.441 PF00730 C2_S188 - (0)2 - / - / 8 0
139Rv346545 100% 0.917 PF00908 C3_S188 - (41)19 - / 1 / 31 9
140Rv0357c49 51% 0.561 PF00709 C8_S188 - (66)20 - / 40 / 9 8
141Rv2192c50 100% 0.631 PF00591 C10_S187 - (1)10 - / 24 / 21 5
142Rv15898 36% 0.607 PF04055 C2_S187 - (25)2 - / 2 / 4 0
143Rv1504c41 67% 0.431 PF01041 C1_S187 - (50)14 - / 3 / 17 6
144Rv133647 100% 0.561 PF00291 C4_S186 - (60)18 - / 1 / 31 8
145Rv171420 36% 0.524 PF00106 86 - (67)? - / - / - 0
146Rv3581c81 75% 0.573 PF02542 C11_S186 - (66)20 - / - / 64 3
147Rv330773 100% 0.865 PF01048 C5_S186 - (54)20 - / 8 / 60 24
148Rv312120 35% 0.554 PF00067 86 - (0)? - / - / - 0
149Rv2976c52 100% 0.615 PF03167 C9_S185 - (0)20 4 / 8 / 27 12
150Rv2861c93 100% 0.650 PF00557 C2_S185 - (0)20 - / 11 / 58 28

<< Page / 80 >> - Show