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
101bsu0859020 44% 0.468 PF00561 C1_S158 - (7)15 - / 2 / 10 3
102bsu3692030 55% 0.527 PF02502 C9_S150 - (37)15 - / - / 9 3
103bsu0269044 59% 0.593 PF00710 C8_S143 - (37)15 - / - / 19 4
104bsu01370104 100% 0.604 PF05191 C3_S1153 - (137)15 76 / 27 / - 6
105bsu1595053 54% 0.586 PF02978 C8_S170 - (0)15 4 / 13 / 16 4
106bsu3439029 97% 0.845 PF00135 C1_S1100 - (24)15 - / - / 11 0
107bsu2716083 67% 0.579 PF00067 C3_S1157 - (31)15 82 / 2 / 10 5
108bsu2895032 72% 0.527 PF07973 C1_S127 - (9)15 1 / 6 / 15 7
109bsu3829020 100% 0.931 PF02581 C2_S153 - (40)15 - / 11 / 12 0
110bsu0456070 50% 0.572 PF01820 C1_S1109 - (82)15 2 / 35 / 21 4
111bsu2905091 100% 0.634 PF00248 C5_S1151 - (87)15 31 / 6 / 25 4
112bsu1818043 50% 0.478 PF00483 C1_S178 - (70)15 - / 14 / 22 5
113bsu0651047 54% 0.595 PF00551 C2_S1144 - (20)14 - / 12 / 23 5
114bsu2733025 54% 0.532 PF00485 C1_S148 - (35)14 4 / 9 / 8 7
115bsu1568038 69% 0.564 PF00625 C3_S146 - (34)14 3 / 15 / 10 5
116bsu0743051 34% 0.613 PF00271 C4_S140 - (0)14 2 / 15 / 14 7
117bsu3198025 99% 0.810 PF13193 C4_S162 - (18)14 3 / 9 / 3 7
118bsu0458072 48% 0.633 PF00271 C2_S169 - (0)14 7 / 22 / 29 7
119bsu2741028 50% 0.437 PF07973 C1_S127 - (21)14 3 / 6 / 8 6
120bsu1125047 60% 0.581 PF02729 C5_S165 - (46)14 - / 9 / 22 6
121bsu2361027 55% 0.448 PF00293 C2_S1107 - (44)14 - / - / 18 4
122bsu1560054 54% 0.715 PF14306 C1_S1101 - (89)14 2 / 41 / 6 6
123bsu0725083 66% 0.549 PF00067 C3_S1157 - (29)14 82 / 1 / 11 5
124bsu1784039 66% 0.636 PF00903 C1_S151 - (0)14 - / - / 27 4
125bsu0082035 79% 0.534 PF01336 C5_S142 - (28)14 - / 11 / 6 6
126bsu0929043 74% 0.531 PF00370 C3_S164 - (64)14 - / 3 / 24 4
127bsu2530039 100% 0.636 PF00383 C3_S135 - (23)14 - / - / 31 6
128bsu2289029 62% 0.687 PF02224 C2_S133 - (27)13 1 / 10 / 9 6
129bsu0145061 53% 0.529 PF08402 C1_S146 - (0)13 - / 16 / 26 7
130bsu0400049 52% 0.528 PF00180 C6_S152 - (42)13 - / 4 / 26 3
131bsu0236034 50% 0.635 PF01182 C5_S122 - (17)13 - / - / 17 6
132bsu1591044 73% 0.563 PF00106 C1_S164 - (36)13 14 / 3 / 10 2
133bsu3789032 44% 0.579 PF01041 C1_S167 - (0)13 - / 4 / 9 5
134bsu3911066 100% 0.551 PF00271 C1_S157 - (0)13 3 / 17 / 29 7
135bsu3455027 100% 0.673 PF13419 C1_S122 - (11)13 - / 5 / 12 8
136bsu3502031 100% 0.656 PF01182 C4_S121 - (16)13 - / - / 18 7
137bsu1091051 54% 0.633 PF14306 C2_S183 - (76)13 2 / 36 / 5 8
138bsu1225048 35% 0.468 PF08402 C1_S145 - (0)13 - / 24 / 10 6
139bsu3252034 100% 0.589 PF00266 C1_S140 - (26)13 - / 1 / 11 2
140bsu1121040 44% 0.561 PF00696 C1_S179 - (66)13 - / 5 / 17 4
141bsu2495046 38% 0.502 PF00005 C1_S146 - (0)13 - / 7 / 30 7
142bsu1467028 50% 0.529 PF00459 C6_S137 - (29)13 - / - / 10 3
143bsu0883039 40% 0.668 PF08402 C1_S125 - (0)12 - / 1 / 17 5
144bsu3255046 52% 0.530 PF08402 C1_S142 - (0)12 - / 18 / 7 5
145bsu0283036 55% 0.557 PF00106 C1_S1110 - (73)12 19 / 11 / 3 4
146bsu0822058 55% 0.482 PF00005 C2_S199 - (88)12 - / 27 / 12 5
147bsu1147045 37% 0.545 PF08402 C1_S140 - (0)12 - / 7 / 21 7
148bsu0967022 44% 0.560 PF01063 C8_S151 - (39)12 - / 8 / 14 5
149bsu0588020 77% 0.551 PF02156 C1_S146 - (22)12 - / - / 5 2
150bsu3689046 84% 0.544 PF14681 C6_S149 - (38)12 - / 10 / 21 5

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