Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000001741 (2017 - Acinetobacter Baumannii - ACIBS: Acinetobacter baumannii (strain SDF) [509170])

Download : Data.csv | 3D Common Core | 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]
50B0VM8865 41% 0.46 PF01433 C3_S1137 - (0)20 - / 12 / 41 34
51B0VKB882 55% 0.61 PF01180 C5_S1269 - (155)20 74 / 7 / 11 0
52B0VR3436 95% 0.63 PF00905 C3_S167 - (0)20 - / - / 31 11
53B0VNZ359 59% 0.54 PF03331 C11_S197 - (0)20 - / 16 / 46 25
54B0VV4858 52% 0.43 PF02786 C3_S161 - (29)20 1 / 20 / 21 16
55B0VN6746 52% 0.58 PF00202 C1_S1101 - (71)20 - / 4 / 25 5
56B0VLY588 58% 0.49 PF00183 C3_S175 - (0)20 - / 19 / 53 25
57B0VTL658 51% 0.55 PF01712 C2_S1120 - (82)20 3 / 23 / 29 11
58B0VKQ578 99% 0.58 PF00106 C4_S1147 - (80)20 52 / 31 / 10 3
59B0VV7486 56% 0.52 PF00476 C3_S1298 - (176)20 45 / 36 / 11 1
60B0VUI923 32% 0.40 PF00962 C3_S144 - (15)20 - / 2 / 19 4
61B0VKK567 57% 0.53 PF01288 C5_S1134 - (57)19 2 / 23 / 34 16
62B0VLM041 54% 0.53 PF00490 C7_S144 - (18)19 - / 1 / 24 2
63B0VTC042 65% 0.60 PF00490 C6_S141 - (18)19 - / 1 / 27 2
64B0VS4753 50% 0.54 PF00348 C1_S183 - (64)19 - / - / 37 6
65B0VR1836 55% 0.53 PF00171 C3_S160 - (0)19 17 / 3 / 8 6
66B0VQZ749 43% 0.49 PF00202 C1_S182 - (61)19 - / 7 / 23 5
67B0VLU677 47% 0.62 PF00121 C7_S165 - (40)19 - / - / 33 8
68B0VSK643 68% 0.54 PF13085 C6_S179 - (0)19 - / - / 25 0
69B0VQK645 63% 0.54 PF06026 C4_S153 - (21)19 - / - / 26 7
70B0VMQ244 51% 0.42 PF00254 C6_S1124 - (0)18 - / 5 / 16 4
71B0VTE561 70% 0.51 PF00692 C4_S1175 - (138)18 - / - / 33 4
72B0VP9026 47% 0.50 PF11798 C1_S1154 - (145)18 - / 5 / 29 4
73B0VPZ527 43% 0.53 PF00248 C6_S1175 - (135)18 3 / 3 / 7 1
74B0VTK943 46% 0.51 PF08402 C2_S151 - (0)17 - / 12 / 15 6
75B0VTZ931 42% 0.56 PF00982 C2_S159 - (22)17 1 / 8 / 16 4
76B0VLA953 63% 0.67 PF00180 C7_S169 - (58)17 - / 8 / 31 4
77B0VKC333 43% 0.55 PF02826 C2_S165 - (43)16 6 / 5 / 5 4
78B0VRF265 71% 0.53 PF00291 C1_S170 - (58)16 6 / 10 / 32 7
79B0VLF562 99% 0.58 PF01053 C1_S192 - (40)16 - / 3 / 49 3
80B0VUD921 51% 0.51 PF00768 C5_S127 - (0)16 - / - / 10 3
81B0VPM964 58% 0.59 PF00291 C3_S167 - (55)16 6 / 9 / 32 8
82B0VQN159 64% 0.58 PF02978 C6_S1127 - (101)16 4 / 22 / 17 4
83B0VSN033 100% 0.63 PF02882 C3_S160 - (48)16 6 / 16 / 5 4
84B0VSH443 99% 0.56 PF00348 C1_S157 - (45)16 - / - / 30 3
85B0VM6573 87% 0.65 PF17209 C2_S1164 - (0)16 - / 8 / 42 1
86B0VKJ428 65% 0.55 PF07973 C1_S131 - (9)15 4 / 13 / 4 7
87B0VNZ744 100% 0.53 PF01820 C2_S1110 - (82)15 - / 19 / 15 4
88B0VQ1920 42% 0.55 PF13406 C3_S150 - (0)15 - / - / 6 2
89B0VR6831 44% 0.45 PF00005 C1_S160 - (0)15 - / 7 / 12 4
90B0VP8358 64% 0.58 PF00291 C3_S173 - (51)15 - / 3 / 47 2
91B0VQ2141 66% 0.56 PF00731 C8_S147 - (29)15 - / 1 / 28 6
92B0VT5855 50% 0.60 PF00005 C1_S160 - (0)15 - / 5 / 36 7
93B0VQC054 45% 0.67 PF00271 C4_S162 - (0)15 5 / 11 / 22 6
94B0VQ3339 100% 0.56 PF01202 C2_S170 - (56)15 - / 3 / 21 5
95B0VNF623 40% 0.54 PF01168 C3_S133 - (21)14 - / 4 / 14 2
96B0VLK429 45% 0.49 PF00005 C1_S154 - (0)14 - / 8 / 11 3
97B0VUU538 59% 0.52 PF00670 C4_S156 - (39)14 20 / 12 / 2 0
98B0VQI469 67% 0.54 PF03952 C1_S153 - (44)14 - / 2 / 45 8
99B0VSA9103 63% 0.57 PF05191 C2_S1152 - (137)14 75 / 26 / 1 5
100B0VR3034 80% 0.55 PF00438 C5_S123 - (11)14 - / - / 11 5

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