Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000001570 (Bacillus subtilis - May 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]
100bsu2431034 53% 0.646 PF02882 C4_S144 - (32)15 2 / 15 / 15 6
101bsu3023071 100% 0.552 PF00202 C1_S1136 - (79)20 - / - / 54 6
102bsu3926027 60% 0.545 PF00232 C1_S191 - (74)12 - / - / 10 6
103bsu1137052 38% 0.448 PF00005 C1_S153 - (0)9 - / 7 / 26 6
104bsu2997067 58% 0.555 PF00291 C3_S168 - (46)15 - / 5 / 48 6
105bsu0177020 79% 0.598 PF00408 C3_S115 - (14)8 - / - / 7 6
106bsu2912067 85% 0.584 PF00056 C5_S1103 - (68)20 41 / 13 / 8 6
107bsu2496034 38% 0.527 PF00005 C1_S121 - (0)10 - / 5 / 13 6
108bsu0869038 61% 0.408 PF00005 C2_S132 - (0)9 - / 18 / 4 6
109bsu2726069 53% 0.627 PF00291 C2_S181 - (52)16 - / 4 / 50 6
110bsu2289029 62% 0.687 PF02224 C2_S133 - (27)13 1 / 10 / 9 6
111bsu1560054 54% 0.715 PF14306 C1_S1101 - (89)14 2 / 41 / 6 6
112bsu1125047 60% 0.581 PF02729 C5_S165 - (46)14 - / 9 / 22 6
113bsu1225048 35% 0.468 PF08402 C1_S145 - (0)13 - / 24 / 10 6
114bsu0236034 50% 0.635 PF01182 C5_S122 - (17)13 - / - / 17 6
115bsu0046031 37% 0.507 PF00288 C1_S166 - (46)17 - / 6 / 13 6
116bsu01370104 100% 0.604 PF05191 C3_S1153 - (137)15 76 / 27 / - 6
117bsu2521020 65% 0.591 PF01807 C3_S115 - (0)10 - / 7 / 5 6
118bsu2405034 44% 0.544 PF00676 C4_S131 - (20)8 - / 11 / 9 6
119bsu3423030 47% 0.571 PF01041 C1_S145 - (0)12 1 / 2 / 13 6
120bsu0359038 59% 0.553 PF08402 C1_S131 - (0)10 - / 16 / 14 5
121bsu3021018 39% 0.486 PF00155 C1_S120 - (16)10 - / - / 11 5
122bsu2266023 48% 0.470 PF00218 C1_S113 - (5)10 - / 5 / 4 5
123bsu3255046 52% 0.530 PF08402 C1_S142 - (0)12 - / 18 / 7 5
124bsu0223020 56% 0.531 PF02222 C1_S154 - (39)11 - / 7 / 13 5
125bsu1529053 100% 0.623 PF00091 C3_S156 - (0)10 1 / 30 / 13 5
126bsu3706044 70% 0.467 PF00265 C10_S142 - (41)11 13 / 16 / 3 5
127bsu0883039 40% 0.668 PF08402 C1_S125 - (0)12 - / 1 / 17 5
128bsu1300050 36% 0.497 PF00005 C1_S144 - (0)9 - / 5 / 22 5
129bsu0594024 45% 0.592 PF00814 C2_S132 - (25)10 - / 14 / 4 5
130bsu2913043 100% 0.868 PF00180 C7_S156 - (52)17 - / 13 / 23 5
131bsu2725034 60% 0.581 PF01053 C1_S123 - (17)12 - / 2 / 14 5
132bsu3076040 35% 0.578 PF00005 C1_S133 - (0)11 - / 1 / 21 5
133bsu0651047 54% 0.595 PF00551 C2_S1144 - (20)14 - / 12 / 23 5
134bsu0373045 37% 0.532 PF00005 C1_S131 - (0)10 - / 1 / 20 5
135bsu4011022 65% 0.601 PF00232 C2_S188 - (72)11 - / 4 / 7 5
136bsu0382025 35% 0.540 PF00005 C1_S119 - (0)7 - / 7 / 8 5
137bsu2716083 67% 0.579 PF00067 C3_S1157 - (31)15 82 / 2 / 10 5
138bsu1312020 49% 0.518 PF14850 C1_S134 - (26)12 6 / - / 8 5
139bsu3155038 34% 0.383 PF00005 C5_S138 - (0)8 - / - / 20 5
140bsu2236023 46% 0.520 PF01336 C7_S122 - (16)10 - / 9 / 1 5
141bsu1841048 100% 0.612 PF01019 C3_S143 - (24)7 - / - / 22 5
142bsu1110040 55% 0.470 PF02868 C9_S139 - (0)17 - / 1 / 7 5
143bsu3940024 73% 0.545 PF07831 C9_S127 - (3)10 - / - / 12 5
144bsu3526041 40% 0.554 PF08402 C1_S123 - (0)10 - / 14 / 7 5
145bsu23360105 75% 0.570 PF00160 C5_S1151 - (1)19 2 / 45 / 24 5
146bsu3583020 52% 0.395 PF00083 C1_S124 - (0)6 - / - / 9 5
147bsu0821052 54% 0.468 PF00005 C1_S177 - (0)8 - / 19 / 21 5
148bsu3042053 44% 0.655 PF00005 C1_S139 - (0)12 - / 9 / 27 5
149bsu0822058 55% 0.482 PF00005 C2_S199 - (88)12 - / 27 / 12 5
150bsu0643031 61% 0.595 PF02222 C2_S149 - (36)9 - / 12 / 10 5

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