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]
50B0VNV894 46% 0.54 PF00012 C2_S1113 - (0)20 9 / 51 / 16 10
51B0VKK3114 52% 0.62 PF02569 C8_S1301 - (178)20 11 / 52 / 28 18
52B0VMX365 96% 0.65 PF00162 C9_S195 - (83)20 - / 25 / 27 8
53B0VLY588 58% 0.49 PF00183 C3_S175 - (0)20 - / 19 / 53 25
54B0VTH761 99% 0.67 PF01467 C1_S1157 - (93)20 4 / 14 / 19 9
55B0VRR047 56% 0.53 PF02786 C4_S161 - (29)20 - / 11 / 23 14
56B0VL3349 65% 0.53 PF00709 C11_S192 - (68)20 - / 42 / 9 10
57B0VKB882 55% 0.61 PF01180 C5_S1269 - (155)20 74 / 7 / 11 0
58B0VNS626 64% 0.54 PF01274 C4_S122 - (2)20 - / - / 18 12
59B0VR0282 62% 0.60 PF00557 C2_S199 - (0)20 - / 4 / 64 32
60B0VNZ359 59% 0.54 PF03331 C11_S197 - (0)20 - / 16 / 46 25
61B0VTC042 65% 0.60 PF00490 C6_S141 - (18)19 - / 1 / 27 2
62B0VLM041 54% 0.53 PF00490 C7_S144 - (18)19 - / 1 / 24 2
63B0VLU677 47% 0.62 PF00121 C7_S165 - (40)19 - / - / 33 8
64B0VR1836 55% 0.53 PF00171 C3_S160 - (0)19 17 / 3 / 8 6
65B0VKK567 57% 0.53 PF01288 C5_S1134 - (57)19 2 / 23 / 34 16
66B0VQZ749 43% 0.49 PF00202 C1_S182 - (61)19 - / 7 / 23 5
67B0VQK645 63% 0.54 PF06026 C4_S153 - (21)19 - / - / 26 7
68B0VS4753 50% 0.54 PF00348 C1_S183 - (64)19 - / - / 37 6
69B0VSK643 68% 0.54 PF13085 C6_S179 - (0)19 - / - / 25 0
70B0VPZ527 43% 0.53 PF00248 C6_S1175 - (135)18 3 / 3 / 7 1
71B0VP9026 47% 0.50 PF11798 C1_S1154 - (145)18 - / 5 / 29 4
72B0VTE561 70% 0.51 PF00692 C4_S1175 - (138)18 - / - / 33 4
73B0VMQ244 51% 0.42 PF00254 C6_S1124 - (0)18 - / 5 / 16 4
74B0VLA953 63% 0.67 PF00180 C7_S169 - (58)17 - / 8 / 31 4
75B0VTK943 46% 0.51 PF08402 C2_S151 - (0)17 - / 12 / 15 6
76B0VTZ931 42% 0.56 PF00982 C2_S159 - (22)17 1 / 8 / 16 4
77B0VQN159 64% 0.58 PF02978 C6_S1127 - (101)16 4 / 22 / 17 4
78B0VPM964 58% 0.59 PF00291 C3_S167 - (55)16 6 / 9 / 32 8
79B0VM6573 87% 0.65 PF17209 C2_S1164 - (0)16 - / 8 / 42 1
80B0VSN033 100% 0.63 PF02882 C3_S160 - (48)16 6 / 16 / 5 4
81B0VUD921 51% 0.51 PF00768 C5_S127 - (0)16 - / - / 10 3
82B0VSH443 99% 0.56 PF00348 C1_S157 - (45)16 - / - / 30 3
83B0VKC333 43% 0.55 PF02826 C2_S165 - (43)16 6 / 5 / 5 4
84B0VRF265 71% 0.53 PF00291 C1_S170 - (58)16 6 / 10 / 32 7
85B0VLF562 99% 0.58 PF01053 C1_S192 - (40)16 - / 3 / 49 3
86B0VR6831 44% 0.45 PF00005 C1_S160 - (0)15 - / 7 / 12 4
87B0VQC054 45% 0.67 PF00271 C4_S162 - (0)15 5 / 11 / 22 6
88B0VKJ428 65% 0.55 PF07973 C1_S131 - (9)15 4 / 13 / 4 7
89B0VT5855 50% 0.60 PF00005 C1_S160 - (0)15 - / 5 / 36 7
90B0VQ2141 66% 0.56 PF00731 C8_S147 - (29)15 - / 1 / 28 6
91B0VNZ744 100% 0.53 PF01820 C2_S1110 - (82)15 - / 19 / 15 4
92B0VQ1920 42% 0.55 PF13406 C3_S150 - (0)15 - / - / 6 2
93B0VP8358 64% 0.58 PF00291 C3_S173 - (51)15 - / 3 / 47 2
94B0VQ3339 100% 0.56 PF01202 C2_S170 - (56)15 - / 3 / 21 5
95B0VUU538 59% 0.52 PF00670 C4_S156 - (39)14 20 / 12 / 2 0
96B0VLK429 45% 0.49 PF00005 C1_S154 - (0)14 - / 8 / 11 3
97B0VR8960 86% 0.56 PF00710 C9_S157 - (56)14 - / - / 36 4
98B0VSA9103 63% 0.57 PF05191 C2_S1152 - (137)14 75 / 26 / 1 5
99B0VSN440 74% 0.57 PF00370 C2_S143 - (43)14 - / 4 / 20 4
100B0VQI469 67% 0.54 PF03952 C1_S153 - (44)14 - / 2 / 45 8

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