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]
100Rv1542c24 100% 0.610 PF01152 C6_S1105 - (0)8 19 / - / 3 2
101Rv306619 100% 0.677 PF00440 C1_S116 - (0)2 2 / - / - 1
102Rv359211 100% 0.647 PF03992 C1_S138 - (0)2 5 / - / - 1
103Rv1018c49 100% 0.604 PF12804 C2_S154 - (36)19 2 / 31 / 9 12
104Rv2945c16 100% 0.577 PF07161 C2_S114 - (0)? - / 2 / - 0
105Rv044020 100% 0.629 PF00118 0 - (0)? - / - / - 0
106Rv2976c52 100% 0.615 PF03167 C9_S185 - (0)20 4 / 8 / 27 12
107Rv1908c27 100% 0.476 PF00141 C5_S131 - (0)6 6 / - / 1 2
108Rv321416 100% 0.590 PF00300 C2_S144 - (34)4 - / - / 2 1
109Rv2793c30 100% 0.637 PF01509 C6_S137 - (0)4 10 / 3 / 7 0
110Rv1326c20 100% 0.559 PF02922 10 - (0)? - / - / - 0
111Rv062418 100% 0.502 PF01850 1 - (0)? - / - / - 0
112Rv1092c45 100% 0.495 PF00485 C3_S1110 - (37)20 6 / 33 / 5 11
113Rv2764c99 100% 0.654 PF00303 C8_S1162 - (95)20 - / 8 / 70 9
114Rv3535c18 100% 0.583 PF00044 C2_S130 - (13)1 1 / - / - 1
115Rv080520 100% 0.577 PF00149 C1_S19 - (0)1 - / - / 1 1
116Rv2552c21 100% 0.607 PF08501 C6_S149 - (46)5 - / - / 7 2
117Rv169522 100% 0.542 PF01513 C6_S130 - (23)13 - / 8 / 5 5
118Rv0045c15 100% 0.557 PF12697 26 - (0)? - / - / - 0
119Rv37806 100% 0.506 PF01642 7 - (0)1 - / - / - 0
120Rv160322 100% 0.750 PF00977 C1_S133 - (0)8 2 / 4 / 2 5
121Rv0137c22 100% 0.874 PF01625 C2_S18 - (1)4 - / - / 1 0
122Rv04329 100% 0.627 PF00080 0 - (0)? - / - / - 0
123Rv3247c20 100% 0.905 PF01712 C2_S1100 - (80)13 1 / 16 / 3 9
124Rv37934 100% 0.486 PF05115 0 - (0)? - / - / - 0
125Rv0470c22 100% 0.789 PF02353 C1_S154 - (28)11 3 / 18 / 3 4
126Rv009920 100% 0.536 PF13193 C3_S162 - (15)4 - / 2 / 2 3
127Rv2118c22 100% 0.557 PF08704 C1_S138 - (25)4 3 / 10 / 4 0
128Rv163018 100% 0.493 PF00575 4 - (0)2 - / - / - 0
129Rv3534c18 100% 0.618 PF00682 C2_S118 - (12)1 - / - / 1 1
130Rv224541 100% 0.582 PF02801 C3_S167 - (5)20 14 / 7 / 9 8
131Rv062313 100% 0.435 PF07704 2 - (0)? - / - / - 0
132Rv141534 100% 0.624 PF00926 C6_S122 - (0)8 - / - / 15 3
133Rv160120 100% 0.493 PF00475 0 - (0)? - / - / - 0
134Rv3568c24 100% 0.560 PF00903 C2_S132 - (22)11 - / - / 14 7
135Rv330773 100% 0.865 PF01048 C5_S186 - (54)20 - / 8 / 60 24
136Rv2919c59 100% 0.628 PF00543 C6_S177 - (0)8 - / 27 / 25 3
137Rv2043c20 100% 0.501 PF00857 C4_S132 - (0)3 - / - / 6 1
138Rv2606c23 100% 0.638 PF01680 C5_S122 - (0)6 - / - / 2 1
139Rv1327c20 100% 0.528 PF11896 9 - (0)? - / - / - 0
140Rv3570c17 100% 0.488 PF02771 15 - (13)? - / - / - 0
141Rv3101c8 100% 0.579 PF02687 1 - (0)? - / - / - 0
142Rv109416 100% 0.558 PF03405 7 - (0)? - / - / - 0
143Rv2110c20 100% 0.536 PF00227 C8_S151 - (0)1 - / - / 1 1
144Rv2431c15 100% 0.507 PF00934 5 - (0)? - / - / - 0
145Rv147818 100% ? PF00877 C3_S114 - (0)4 - / - / 3 1
146Rv385320 100% 0.808 PF03737 C3_S128 - (0)5 - / - / 6 2
147Rv226649 100% 0.536 PF00067 C7_S1153 - (0)5 44 / - / 2 1
148Rv335716 100% 0.555 PF02604 0 - (0)? - / - / - 0
149Rv115520 100% 0.587 PF01243 C2_S130 - (0)3 - / 1 / 1 1
150Rv2533c14 100% 0.618 PF01029 0 - (0)? - / - / - 0

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