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]
100Rv162612 100% 0.699 PF00072 5 - (0)1 - / - / - 0
101Rv052111 39% 0.697 PF02353 14 - (0)? - / - / - 0
102Rv1316c23 99% 0.697 PF01035 C1_S147 - (0)4 - / 1 / 5 0
103Rv073387 100% 0.697 PF05191 C1_S1157 - (144)13 40 / 39 / 3 4
104Rv0902c20 100% 0.696 PF00512 C4_S134 - (29)2 - / - / 1 1
105Rv2104c16 50% 0.696 PF03869 2 - (0)? - / - / - 0
106Rv0533c33 100% 0.696 PF08541 C1_S144 - (26)20 2 / 5 / 20 6
107Rv00536 41% 0.696 PF01250 2 - (0)? - / - / - 0
108Rv0851c30 78% 0.695 PF00106 C1_S1141 - (91)9 1 / - / 10 1
109Rv20347 49% 0.695 PF01022 24 - (0)? - / - / - 0
110Rv1017c26 46% 0.694 PF13793 C3_S131 - (21)3 - / - / 12 2
111Rv357418 99% 0.694 PF00440 16 - (0)? - / - / - 0
112Rv2420c11 99% 0.694 PF00258 2 - (0)? - / - / - 0
113Rv2925c17 100% 0.693 PF14622 C2_S122 - (0)6 - / - / 6 0
114Rv095655 100% 0.693 PF00551 C3_S1147 - (19)20 - / 25 / 15 13
115Rv3624c71 100% 0.692 PF00156 C4_S1117 - (57)20 2 / 20 / 39 9
116Rv2122c16 100% 0.692 PF01503 1 - (0)1 - / - / - 0
117Rv073017 30% 0.691 PF00521 2 - (0)? - / - / - 0
118Rv1261c20 43% 0.691 PF04075 C7_S159 - (12)2 13 / 2 / - 1
119Rv0376c15 79% 0.690 PF00962 C2_S19 - (0)? - / - / 1 0
120Rv030118 100% 0.690 PF01850 1 - (0)? - / - / - 0
121Rv221719 99% 0.688 PF00044 C2_S116 - (10)4 - / - / 4 0
122Rv046721 100% 0.688 PF00463 C5_S116 - (8)5 - / - / 2 1
123Rv2744c3 32% 0.687 PF12170 1 - (1)? - / - / - 0
124Rv1246c18 54% 0.687 PF05016 0 - (0)? - / - / - 0
125Rv030019 100% 0.687 PF01402 6 - (0)1 - / - / - 0
126Rv139511 38% 0.687 PF12833 16 - (0)? - / - / - 0
127Rv0262c19 100% 0.686 PF00583 C2_S151 - (28)2 1 / 7 / - 1
128Rv0465c4 36% 0.686 PF08671 37 - (0)? - / - / - 0
129Rv08713 49% 0.685 PF00313 28 - (0)1 - / - / - 0
130Rv000220 100% 0.685 PF02768 3 - (0)? - / - / - 0
131Rv3294c3 32% 0.685 PF00488 4 - (0)? - / - / - 0
132Rv035310 41% 0.684 PF07739 20 - (0)? - / - / - 0
133Rv1445c21 100% 0.684 PF01182 C6_S18 - (5)1 - / - / 1 1
134Rv165737 100% 0.684 PF02863 C10_S1168 - (0)4 - / - / 18 2
135Rv201715 42% 0.683 PF12844 41 - (0)? - / - / - 0
136Rv3462c15 100% 0.683 PF01176 0 - (0)? - / - / - 0
137Rv1262c16 75% 0.681 PF01230 C5_S163 - (1)7 - / - / 5 1
138Rv2785c20 63% 0.681 PF00312 1 - (0)0 - / - / - 0
139Rv206917 100% 0.681 PF08281 0 - (0)? - / - / - 0
140Rv037911 97% 0.680 PF07311 C11_S1105 - (0)2 - / - / 1 0
141Rv3418c20 100% 0.680 PF00166 0 - (0)? - / - / - 0
142Rv2537c20 100% 0.680 PF01220 C7_S138 - (0)1 - / - / 1 1
143Rv07486 56% 0.680 PF01150 6 - (0)? - / - / - 0
144Rv38520 43% 0.679 PF08798 15 - (0)? - / - / - 0
145Rv029817 41% 0.678 PF01402 7 - (0)1 - / - / - 0
146Rv146320 55% 0.678 PF00005 C1_S121 - (0)6 - / - / 4 3
147Rv00813 44% 0.678 PF01022 15 - (0)? - / - / - 0
148Rv200223 99% 0.678 PF00106 C1_S194 - (62)6 10 / 3 / 1 2
149Rv306619 100% 0.677 PF00440 C1_S116 - (0)2 2 / - / - 1
150Rv0445c17 100% 0.674 PF04545 0 - (0)? - / - / - 0

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