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]
100Rv009920 100% 0.536 PF13193 C3_S162 - (15)4 - / 2 / 2 3
101Rv010016 28% 0.570 PF00550 8 - (0)1 - / - / - 0
102Rv010120 99% 0.436 PF00550 C1_S112 - (0)1 - / 1 / - 1
103Rv01021 34% 0.232 PF02529 14 - (0)? - / - / - 0
104Rv0103c31 42% 0.368 PF00403 C2_S117 - (0)9 - / 2 / 8 3
105Rv010410 22% 0.389 PF00670 4 - (4)? - / - / - 0
106Rv0105c5 41% 0.575 PF00830 0 - (0)? - / - / - 0
107Rv010613 21% 0.344 PF02978 6 - (0)? - / - / - 0
108Rv0107c15 34% 0.336 PF00403 1 - (0)? - / - / - 0
109Rv0108c0 39% 0.159 PF01326 0 - (0)? - / - / - 0
110Rv010916 36% 0.416 PF00934 2 - (0)? - / - / - 0
111Rv01104 44% 0.293 PF12122 49 - (0)? - / - / - 0
112Rv011118 21% 0.452 PF13472 6 - (0)? - / - / - 0
113Rv011220 36% 0.534 PF16363 49 - (43)? - / - / - 0
114Rv011322 45% 0.607 PF13580 C2_S119 - (11)3 - / - / 8 2
115Rv011420 36% 0.418 PF08645 C3_S111 - (4)6 - / - / 2 1
116Rv011518 47% 0.616 PF00288 C3_S142 - (34)7 - / - / 2 1
117Rv0116c20 100% 0.565 PF03734 C5_S111 - (0)5 - / - / 2 2
118Rv011718 42% 0.477 PF03466 13 - (0)? - / - / - 0
119Rv0118c19 59% 0.571 PF02776 C7_S153 - (33)15 2 / 16 / 1 7
120Rv011922 32% 0.424 PF13193 C2_S163 - (23)3 - / - / 3 1
121Rv0120c19 47% 0.562 PF03143 31 - (0)? - / - / - 0
122Rv0121c12 59% 0.658 PF01243 23 - (0)0 - / - / - 0
123Rv01221 25% 0.191 PF01335 0 - (0)? - / - / - 0
124Rv012312 68% 0.661 PF01402 7 - (0)? - / - / - 0
125Rv01248 51% 0.436 PF00934 2 - (0)? - / - / - 0
126Rv012521 44% 0.438 PF13180 C1_S126 - (0)1 - / - / 6 0
127Rv012639 100% 0.581 PF16657 C1_S141 - (0)10 - / - / 13 5
128Rv012718 100% 0.477 PF01636 C4_S123 - (5)3 - / - / 4 2
129Rv01280 42% 0.487 PF00083 0 - (0)? - / - / - 0
130Rv0129c20 100% 0.852 PF00756 C2_S127 - (0)8 - / - / 5 3
131Rv013016 98% 0.302 PF01575 14 - (0)2 - / - / - 0
132Rv0131c20 37% 0.479 PF02771 40 - (29)1 - / - / - 0
133Rv0132c20 36% 0.500 PF00296 C6_S134 - (16)? - / - / 1 0
134Rv013319 31% 0.296 PF00583 33 - (14)? - / - / - 0
135Rv013427 42% 0.479 PF00561 C1_S141 - (6)11 - / 1 / 10 4
136Rv0135c19 24% 0.555 PF00440 12 - (0)? - / - / - 0
137Rv013620 25% 0.508 PF00067 64 - (3)? - / - / - 0
138Rv0137c22 100% 0.874 PF01625 C2_S18 - (1)4 - / - / 1 0
139Rv013818 18% 0.299 PF07858 23 - (3)? - / - / - 0
140Rv013913 31% 0.573 PF01370 50 - (42)? - / - / - 0
141Rv01400 32% 0.090 PF00251 6 - (0)? - / - / - 0
142Rv0141c20 37% 0.480 PF12680 41 - (4)? - / - / - 0
143Rv014215 23% 0.465 PF00730 19 - (0)? - / - / - 0
144Rv0143c20 29% 0.316 PF00654 0 - (0)? - / - / - 0
145Rv014418 43% 0.475 PF00440 25 - (0)? - / - / - 0
146Rv014519 51% 0.473 PF04072 12 - (0)? - / - / - 0
147Rv014619 78% 0.567 PF04072 23 - (0)? - / - / - 0
148Rv014723 44% 0.628 PF00171 C3_S118 - (11)8 - / 5 / 4 3
149Rv014838 52% 0.561 PF00106 C1_S182 - (57)9 4 / 4 / 7 1
150Rv014920 60% 0.534 PF00107 C1_S152 - (23)1 - / - / 1 0

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