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]
100B0VM7021 66% 0.60 PF00160 C6_S1109 - (2)14 - / - / 7 0
101B0VR3034 80% 0.55 PF00438 C5_S123 - (11)14 - / - / 11 5
102B0VLK429 45% 0.49 PF00005 C1_S154 - (0)14 - / 8 / 11 3
103B0VQI469 67% 0.54 PF03952 C1_S153 - (44)14 - / 2 / 45 8
104B0VUU538 59% 0.52 PF00670 C4_S156 - (39)14 20 / 12 / 2 0
105B0VNF623 40% 0.54 PF01168 C3_S133 - (21)14 - / 4 / 14 2
106B0VR8960 86% 0.56 PF00710 C9_S157 - (56)14 - / - / 36 4
107B0VSA9103 63% 0.57 PF05191 C2_S1152 - (137)14 75 / 26 / 1 5
108B0VTY229 68% 0.61 PF00550 C6_S140 - (0)13 - / - / 7 2
109B0VME539 49% 0.68 PF07670 C4_S162 - (0)13 5 / 17 / 9 7
110B0VV8539 65% 0.36 PF01409 C1_S133 - (20)13 2 / 5 / 13 9
111B0VKI722 50% 0.55 PF00557 C1_S119 - (0)13 - / - / 7 0
112B0VKP525 84% 0.46 PF07991 C2_S140 - (0)13 8 / 3 / 7 3
113B0VKP728 45% 0.59 PF02776 C4_S191 - (45)13 15 / 4 / 9 1
114B0VTX228 99% 0.56 PF01195 C4_S124 - (0)13 - / 1 / 10 6
115B0VPX366 100% 0.64 PF00701 C3_S1112 - (101)13 - / - / 30 4
116B0VRK836 45% 0.46 PF01451 C8_S129 - (2)13 - / 3 / 18 6
117B0VSE027 58% 0.52 PF01336 C7_S141 - (25)13 2 / 7 / 7 3
118B0VL0421 50% 0.61 PF00701 C7_S169 - (0)13 - / - / 7 0
119B0VLA025 71% 0.56 PF02774 C3_S144 - (1)13 1 / 9 / 7 4
120B0VTE744 50% 0.62 PF00691 C7_S136 - (0)13 - / - / 13 5
121B0VPU020 53% 0.53 PF00885 C7_S175 - (59)12 - / - / 3 1
122B0VSP623 46% ? PF01219 C8_S1127 - (0)12 - / - / 8 1
123B0VRM331 53% 0.53 PF00923 C5_S137 - (0)12 - / 3 / 15 4
124B0VTE420 33% 0.58 PF00408 C1_S119 - (17)12 - / - / 12 7
125B0VUB527 39% 0.43 PF00005 C1_S145 - (44)12 - / 7 / 13 6
126B0VTZ524 33% 0.58 PF00155 C1_S135 - (23)12 - / - / 13 1
127B0VS1321 61% ? PF01425 C5_S151 - (0)12 - / - / 9 2
128B0VPT625 99% 0.57 PF12804 C3_S171 - (37)12 - / - / 13 1
129B0VMS422 55% 0.52 PF00408 C1_S119 - (17)12 - / - / 17 7
130B0VPC222 54% 0.42 PF00475 C2_S114 - (0)12 - / - / 12 1
131B0VMT946 56% 0.59 PF02729 C10_S155 - (39)12 - / 10 / 20 5
132B0VMM659 41% 0.48 PF08402 C1_S156 - (0)12 - / 18 / 21 7
133B0VKM539 49% 0.56 PF05222 C2_S142 - (35)12 3 / 11 / 7 3
134B0VU4335 65% 0.57 PF00156 C5_S156 - (45)12 - / 5 / 18 2
135B0VUW820 38% 0.53 PF13406 C4_S143 - (0)12 - / - / 7 2
136B0VP5723 58% 0.57 PF02580 C11_S130 - (0)12 - / 2 / 5 1
137B0VRJ042 100% 0.60 PF00691 C5_S142 - (0)12 - / - / 17 4
138B0VMU132 56% 0.60 PF00158 C5_S136 - (0)11 - / 11 / 13 5
139B0VS2521 42% 0.53 PF02525 C1_S1223 - (111)11 1 / 1 / 1 0
140B0VNG119 49% 0.59 PF03446 C1_S141 - (24)11 7 / 6 / 3 1
141B0VQE923 91% 0.63 PF04444 C8_S194 - (0)11 - / 7 / 6 1
142B0VT8094 42% 0.49 PF00316 C7_S1101 - (96)11 - / 1 / 81 5
143B0VKQ344 54% 0.36 PF00005 C2_S159 - (0)11 - / - / 27 4
144B0VPX533 66% 0.47 PF01259 C4_S168 - (52)11 - / 12 / 15 7
145B0VUS022 51% 0.43 PF00218 C2_S118 - (8)11 - / 5 / 6 5
146B0VMV739 77% 0.53 PF00154 C2_S133 - (0)11 - / 19 / 8 5
147B0VRL925 51% 0.58 PF00106 C2_S159 - (40)11 4 / - / 3 0
148B0VUP120 41% 0.60 PF02445 C2_S143 - (0)11 - / - / 14 1
149B0VQX523 77% 0.61 PF00056 C3_S136 - (26)11 7 / 11 / 2 4
150B0VPT529 60% 0.55 PF01380 C2_S116 - (14)11 - / - / 12 5

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