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]
50PA397760 55% 0.620 PF00202 C1_S1122 - (55)20 - / - / 57 9
51PA289150 62% 0.487 PF02786 C2_S159 - (26)20 1 / 19 / 22 18
52PA001982 100% 0.732 PF01327 C5_S1109 - (26)20 - / 25 / 44 15
53PA112550 48% 0.550 PF02146 C3_S1157 - (42)20 13 / 21 / 19 7
54PA036365 61% 0.586 PF01467 C2_S1101 - (83)20 4 / 20 / 32 9
55PA075059 60% 0.572 PF03167 C8_S188 - (0)20 2 / 9 / 31 12
56PA274887 57% 0.496 PF00557 C2_S183 - (1)20 - / 4 / 71 35
57PA152930 57% 0.512 PF03119 C4_S151 - (28)20 - / 16 / 15 14
58PA440668 100% 0.532 PF03331 C8_S1107 - (0)20 1 / 39 / 20 21
59PA364535 100% 0.511 PF07977 C2_S126 - (1)19 - / - / 17 1
60PA000260 100% 0.644 PF02768 C5_S181 - (0)19 1 / 22 / 34 9
61PA380764 79% 0.486 PF00334 C9_S148 - (45)19 - / 22 / 24 10
62PA055260 74% 0.614 PF00162 C9_S183 - (72)19 - / 23 / 20 9
63PA416782 46% 0.571 PF00248 C3_S1182 - (103)19 51 / 8 / 12 3
64PA438938 45% 0.561 PF00106 C1_S192 - (64)19 9 / 4 / 5 5
65PA165426 40% 0.553 PF00155 C1_S158 - (30)19 7 / 2 / 14 4
66PA326273 49% 0.583 PF00254 C5_S1119 - (0)19 - / 30 / 20 13
67PA308844 50% 0.530 PF01513 C6_S155 - (43)18 - / 11 / 16 5
68PA516437 100% 0.457 PF00908 C6_S183 - (38)18 - / 3 / 27 9
69PA119743 36% 0.526 PF02146 C4_S1154 - (38)18 5 / 5 / 9 4
70PA065639 49% 0.674 PF01230 C5_S179 - (1)18 - / 13 / 18 10
71PA300522 50% 0.532 PF00933 C6_S137 - (16)18 - / - / 16 7
72PA322334 50% 0.635 PF02525 C1_S193 - (57)18 2 / 7 / 13 3
73PA493842 70% 0.605 PF00709 C5_S170 - (53)18 - / 33 / 9 7
74PA456938 52% 0.627 PF00348 C1_S152 - (29)18 - / - / 26 10
75PA127931 50% 0.540 PF02277 C7_S163 - (38)17 - / - / 16 7
76PA238524 100% 0.563 PF01804 C3_S142 - (0)17 - / 2 / 14 7
77PA257073 100% 0.669 PF07828 C17_S1118 - (0)17 - / 1 / 54 9
78PA158444 71% 0.588 PF13085 C2_S175 - (0)17 - / - / 24 0
79PA370031 62% 0.549 PF01336 C5_S157 - (40)16 1 / 9 / 7 6
80PA460274 75% 0.548 PF00464 C1_S198 - (44)16 - / 2 / 52 4
81PA262336 78% 0.823 PF00180 C6_S155 - (51)16 2 / 13 / 22 5
82PA250735 75% 0.530 PF12391 C9_S129 - (25)16 - / - / 18 11
83PA541583 73% 0.595 PF00464 C1_S1108 - (54)16 - / 2 / 58 4
84PA501346 63% 0.547 PF01063 C7_S1103 - (89)16 - / 4 / 35 2
85PA284080 50% 0.573 PF00271 C3_S1115 - (0)16 16 / 20 / 30 5
86PA244482 72% 0.604 PF00464 C1_S1110 - (56)16 - / 2 / 58 4
87PA511139 58% 0.504 PF00903 C1_S145 - (0)16 - / - / 32 6
88PA333340 100% 0.577 PF08541 C2_S151 - (30)15 - / 7 / 13 2
89PA493037 40% 0.445 PF01168 C4_S163 - (57)15 - / 6 / 16 4
90PA311841 65% 0.614 PF00180 C8_S154 - (45)15 - / 9 / 24 4
91PA395066 45% 0.537 PF00271 C4_S179 - (0)15 3 / 18 / 34 6
92PA353744 53% 0.580 PF02729 C9_S150 - (40)15 - / 8 / 17 6
93PA555241 57% 0.598 PF12804 C1_S148 - (32)15 3 / 23 / 6 6
94PA133741 84% 0.795 PF00710 C8_S129 - (29)14 - / - / 18 4
95PA274422 66% 0.521 PF07973 C1_S126 - (11)14 4 / 12 / 3 7
96PA422827 54% 0.534 PF13193 C5_S159 - (24)14 1 / 11 / 3 7
97PA358236 77% 0.761 PF00370 C4_S158 - (58)14 - / 2 / 19 4
98PA494443 100% 0.644 PF01423 C4_S132 - (0)14 - / - / 15 3
99PA189921 65% 0.566 PF12680 C3_S155 - (1)14 - / - / 17 5
100PA467227 100% 0.612 PF01195 C2_S123 - (0)14 - / 1 / 9 6

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