Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000002438 (Pseudomonas aeruginosa - Jan 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]
100PA423020 100% 0.569 PF01817 C2_S125 - (4)4 - / - / 7 1
101PA533221 100% 0.566 PF03372 C3_S185 - (1)1 - / - / 1 0
102PA051937 100% 0.807 PF13442 C3_S160 - (2)8 26 / 9 / - 2
103PA137711 100% 0.552 PF13302 C1_S1132 - (0)3 - / - / 1 0
104PA499220 100% 0.654 PF00248 33 - (25)? - / - / - 0
105PA013220 100% 0.608 PF00202 C1_S118 - (12)? - / - / 1 0
106PA067219 100% 0.476 PF01126 C4_S119 - (2)3 7 / - / - 1
107PA349913 100% 0.534 PF01042 7 - (0)? - / - / - 0
108PA059320 100% 0.656 PF04166 C3_S120 - (4)3 - / - / 4 2
109PA175717 100% 0.702 PF00702 C2_S110 - (6)1 - / - / 1 1
110PA210710 100% 0.769 PF02668 3 - (3)? - / - / - 0
111PA11233 100% 0.530 PF00549 0 - (0)? - / - / - 0
112PA260318 100% 0.525 PF00581 C1_S17 - (0)1 - / - / 3 0
113PA238620 100% 0.527 PF13434 C6_S178 - (48)4 12 / - / 1 2
114PA52274 100% 0.445 PF05164 3 - (0)? - / - / - 0
115PA201120 100% 0.591 PF00682 21 - (10)? - / - / - 0
116PA440668 100% 0.532 PF03331 C8_S1107 - (0)20 1 / 39 / 20 21
117PA238524 100% 0.563 PF01804 C3_S142 - (0)17 - / 2 / 14 7
118PA542125 100% 0.804 PF00107 C1_S1118 - (74)5 7 / - / 5 1
119PA548520 100% 0.648 PF01510 C4_S118 - (0)2 - / 2 / 2 1
120PA300421 100% 0.622 PF01048 C3_S129 - (11)2 - / - / 2 0
121PA324721 100% 0.573 PF02127 C5_S15 - (1)1 - / - / 1 1
122PA22229 100% 0.632 PF07647 4 - (0)? - / - / - 0
123PA343914 100% 0.452 PF02152 18 - (2)? - / - / - 0
124PA279418 100% 0.505 PF02973 56 - (0)? - / - / - 0
125PA048011 100% 0.553 PF13419 C1_S1121 - (0)1 - / - / 1 0
126PA339727 100% 0.592 PF00175 C4_S193 - (64)6 22 / 3 / 3 1
127PA533432 100% 0.575 PF03725 C1_S119 - (0)4 - / 1 / 9 2
128PA461620 100% 0.498 PF03480 30 - (1)? - / - / - 0
129PA143027 100% 0.641 PF00196 C1_S129 - (0)7 9 / 6 / - 3
130PA198225 100% 0.654 PF01011 C2_S141 - (24)2 - / 10 / - 1
131PA052713 100% 0.526 PF00325 28 - (0)? - / - / - 0
132PA47385 100% 0.710 PF05532 1 - (0)? - / - / - 0
133PA53509 100% 0.575 PF00301 1 - (0)? - / - / - 0
134PA161829 100% 0.486 PF03061 C1_S138 - (0)8 - / - / 13 1
135PA13079 100% 0.519 PF01380 6 - (6)? - / - / - 0
136PA000260 100% 0.644 PF02768 C5_S181 - (0)19 1 / 22 / 34 9
137PA463118 100% 0.573 PF01370 47 - (36)? - / - / - 0
138PA116714 100% 0.475 PF00251 C1_S16 - (0)1 - / - / 1 1
139PA225516 100% 0.507 PF02668 32 - (20)? - / - / - 0
140PA297933 100% 0.503 PF02348 C1_S154 - (42)10 - / 11 / 10 4
141PA490727 100% 0.590 PF00106 C1_S143 - (33)4 13 / - / - 2
142PA112018 100% 0.540 PF00072 42 - (0)? - / - / - 0
143PA520113 100% 0.559 PF00575 4 - (0)? - / - / - 0
144PA051021 100% 0.617 PF00590 C1_S132 - (30)3 - / 9 / - 1
145PA363643 100% 0.554 PF00793 C3_S146 - (36)13 - / - / 17 4
146PA435915 100% 0.434 PF04023 7 - (1)? - / - / - 0
147PA024027 100% ? PF00267 C5_S1112 - (0)2 - / - / 6 0
148PA354021 100% 0.684 PF03721 C2_S129 - (18)6 1 / 3 / 2 3
149PA365794 100% 0.535 PF00557 C2_S184 - (1)20 - / 9 / 63 35
150PA278016 100% 0.562 PF08671 C1_S130 - (0)2 - / - / 8 0

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