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]
250Rv2776c15 35% 0.468 PF00175 66 - (42)1 - / - / - 0
251Rv238428 44% 0.523 PF13193 C4_S165 - (24)14 2 / 8 / 6 7
252Rv1427c20 33% 0.561 PF13193 65 - (22)? - / - / - 0
253Rv046243 100% 0.542 PF02852 C2_S165 - (58)2 30 / 4 / - 1
254Rv146420 47% 0.582 PF00266 C1_S165 - (47)9 - / - / 13 2
255Rv184720 100% 0.565 PF03061 C1_S165 - (0)2 - / - / 1 0
256Rv2916c41 54% 0.606 PF02978 C4_S165 - (0)14 3 / 12 / 17 5
257Rv328557 48% 0.465 PF02786 C3_S164 - (31)20 1 / 20 / 27 18
258Rv1750c20 35% 0.440 PF13193 64 - (18)1 - / - / - 0
259Rv293020 57% 0.542 PF13193 C5_S164 - (36)6 - / 5 / 4 4
260Rv013620 25% 0.508 PF00067 64 - (3)? - / - / - 0
261Rv1318c14 40% 0.600 PF00211 C5_S164 - (0)? - / - / 1 0
262Rv144220 40% 0.530 PF01568 C3_S164 - (0)5 6 / - / - 1
263Rv1273c64 40% 0.423 PF00005 C1_S164 - (64)13 - / 28 / 20 8
264Rv1262c16 75% 0.681 PF01230 C5_S163 - (1)7 - / - / 5 1
265Rv030620 44% 0.502 PF00881 63 - (40)? - / - / - 0
266Rv332939 40% 0.539 PF00202 C1_S163 - (41)9 - / - / 21 3
267Rv1394c20 36% 0.452 PF00067 C7_S163 - (6)8 - / - / 5 0
268Rv006220 100% 0.629 PF01341 C4_S163 - (49)13 - / 1 / 10 4
269Rv2967c67 51% 0.503 PF02786 C1_S163 - (29)20 2 / 17 / 27 19
270Rv0392c20 32% 0.465 PF07992 63 - (40)? - / - / - 0
271Rv011922 32% 0.424 PF13193 C2_S163 - (23)3 - / - / 3 1
272Rv258941 83% 0.590 PF00202 C2_S163 - (36)8 - / - / 17 3
273Rv2501c56 54% 0.406 PF02786 C2_S163 - (31)20 2 / 15 / 30 13
274Rv181720 42% 0.498 PF00890 C5_S163 - (42)2 2 / - / - 1
275Rv266911 39% 0.418 PF00583 63 - (27)? - / - / - 0
276Rv2307c18 34% 0.437 PF12146 63 - (0)? - / - / - 0
277Rv0400c35 69% 0.535 PF02771 C2_S162 - (45)6 14 / 4 / 2 4
278Rv009920 100% 0.536 PF13193 C3_S162 - (15)4 - / 2 / 2 3
279Rv2789c24 38% 0.460 PF02771 C2_S162 - (41)4 3 / 5 / - 1
280Rv340654 100% 0.558 PF02668 C4_S162 - (41)10 - / - / 20 4
281Rv3073c0 45% 0.347 PF00762 62 - (52)? - / - / - 0
282Rv120620 45% 0.419 PF13193 62 - (17)? - / - / - 0
283Rv0551c20 33% 0.528 PF13193 62 - (22)1 - / - / - 0
284Rv356120 35% 0.494 PF13193 C3_S162 - (25)3 - / 2 / 1 1
285Rv239123 100% 0.524 PF03460 C2_S162 - (21)5 6 / - / 16 1
286Rv099515 39% 0.327 PF13302 62 - (39)? - / - / - 0
287Rv350620 35% 0.432 PF13193 C4_S162 - (24)1 - / 1 / - 1
288Rv2505c22 33% 0.469 PF13193 C4_S161 - (20)3 - / - / 4 1
289Rv041519 48% 0.478 PF01266 C1_S161 - (46)3 2 / - / - 1
290Rv2364c17 40% 0.621 PF01926 C1_S161 - (0)4 6 / 2 / - 2
291Rv2753c50 99% 0.636 PF00701 C3_S161 - (50)13 - / - / 12 2
292Rv040935 78% 0.599 PF00871 C6_S161 - (51)20 2 / 9 / 17 12
293Rv2921c47 48% 0.639 PF02978 C6_S161 - (0)15 4 / 13 / 12 4
294Rv3352c14 48% 0.376 PF01565 C4_S160 - (46)4 - / 3 / 1 1
295Rv260721 99% 0.489 PF01243 C1_S160 - (31)3 - / 11 / - 1
296Rv322731 100% 0.591 PF00275 C2_S160 - (31)16 2 / 3 / 25 8
297Rv1185c20 59% 0.640 PF13193 C4_S160 - (29)6 - / 5 / 3 3
298Rv0973c61 47% 0.373 PF02786 C2_S160 - (29)20 2 / 14 / 31 18
299Rv186222 35% 0.530 PF00107 C1_S160 - (42)2 - / - / 1 0
300Rv083911 43% 0.399 PF03848 60 - (36)? - / - / - 0

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