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
101B0VN0022 49% 0.63 PF02224 C3_S151 - (43)14 - / 10 / 7 6
102B0VR3034 80% 0.55 PF00438 C5_S123 - (11)14 - / - / 11 5
103B0VSN440 74% 0.57 PF00370 C2_S143 - (43)14 - / 4 / 20 4
104B0VQI469 67% 0.54 PF03952 C1_S153 - (44)14 - / 2 / 45 8
105B0VU0943 73% 0.61 PF02978 C5_S180 - (0)14 3 / 16 / 16 5
106B0VR8960 86% 0.56 PF00710 C9_S157 - (56)14 - / - / 36 4
107B0VUU538 59% 0.52 PF00670 C4_S156 - (39)14 20 / 12 / 2 0
108B0VKP525 84% 0.46 PF07991 C2_S140 - (0)13 8 / 3 / 7 3
109B0VPX366 100% 0.64 PF00701 C3_S1112 - (101)13 - / - / 30 4
110B0VTE744 50% 0.62 PF00691 C7_S136 - (0)13 - / - / 13 5
111B0VRK836 45% 0.46 PF01451 C8_S129 - (2)13 - / 3 / 18 6
112B0VTY229 68% 0.61 PF00550 C6_S140 - (0)13 - / - / 7 2
113B0VTX228 99% 0.56 PF01195 C4_S124 - (0)13 - / 1 / 10 6
114B0VME539 49% 0.68 PF07670 C4_S162 - (0)13 5 / 17 / 9 7
115B0VSE027 58% 0.52 PF01336 C7_S141 - (25)13 2 / 7 / 7 3
116B0VKP728 45% 0.59 PF02776 C4_S191 - (45)13 15 / 4 / 9 1
117B0VL0421 50% 0.61 PF00701 C7_S169 - (0)13 - / - / 7 0
118B0VV8539 65% 0.36 PF01409 C1_S133 - (20)13 2 / 5 / 13 9
119B0VLA025 71% 0.56 PF02774 C3_S144 - (1)13 1 / 9 / 7 4
120B0VKI722 50% 0.55 PF00557 C1_S119 - (0)13 - / - / 7 0
121B0VKM539 49% 0.56 PF05222 C2_S142 - (35)12 3 / 11 / 7 3
122B0VMM659 41% 0.48 PF08402 C1_S156 - (0)12 - / 18 / 21 7
123B0VPU020 53% 0.53 PF00885 C7_S175 - (59)12 - / - / 3 1
124B0VP5723 58% 0.57 PF02580 C11_S130 - (0)12 - / 2 / 5 1
125B0VMS422 55% 0.52 PF00408 C1_S119 - (17)12 - / - / 17 7
126B0VUB527 39% 0.43 PF00005 C1_S145 - (44)12 - / 7 / 13 6
127B0VUW820 38% 0.53 PF13406 C4_S143 - (0)12 - / - / 7 2
128B0VU4335 65% 0.57 PF00156 C5_S156 - (45)12 - / 5 / 18 2
129B0VMT946 56% 0.59 PF02729 C10_S155 - (39)12 - / 10 / 20 5
130B0VSP623 46% ? PF01219 C8_S1127 - (0)12 - / - / 8 1
131B0VS1321 61% ? PF01425 C5_S151 - (0)12 - / - / 9 2
132B0VTZ524 33% 0.58 PF00155 C1_S135 - (23)12 - / - / 13 1
133B0VTE420 33% 0.58 PF00408 C1_S119 - (17)12 - / - / 12 7
134B0VRM331 53% 0.53 PF00923 C5_S137 - (0)12 - / 3 / 15 4
135B0VRJ042 100% 0.60 PF00691 C5_S142 - (0)12 - / - / 17 4
136B0VPT625 99% 0.57 PF12804 C3_S171 - (37)12 - / - / 13 1
137B0VPC222 54% 0.42 PF00475 C2_S114 - (0)12 - / - / 12 1
138B0VRL925 51% 0.58 PF00106 C2_S159 - (40)11 4 / - / 3 0
139B0VPX533 66% 0.47 PF01259 C4_S168 - (52)11 - / 12 / 15 7
140B0VQX523 77% 0.61 PF00056 C3_S136 - (26)11 7 / 11 / 2 4
141B0VMU132 56% 0.60 PF00158 C5_S136 - (0)11 - / 11 / 13 5
142B0VNT728 33% 0.43 PF00005 C2_S149 - (0)11 - / 7 / 2 0
143B0VNG119 49% 0.59 PF03446 C1_S141 - (24)11 7 / 6 / 3 1
144B0VS2521 42% 0.53 PF02525 C1_S1223 - (111)11 1 / 1 / 1 0
145B0VPG320 98% 0.58 PF08245 C1_S151 - (26)11 - / 6 / 2 0
146B0VMV739 77% 0.53 PF00154 C2_S133 - (0)11 - / 19 / 8 5
147B0VQE923 91% 0.63 PF04444 C8_S194 - (0)11 - / 7 / 6 1
148B0VMX524 99% 0.61 PF01116 C5_S123 - (15)11 - / 3 / 17 5
149B0VKQ344 54% 0.36 PF00005 C2_S159 - (0)11 - / - / 27 4
150B0VUS022 51% 0.43 PF00218 C2_S118 - (8)11 - / 5 / 6 5

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