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]
200B0VKP525 84% 0.46 PF07991 C2_S140 - (0)13 8 / 3 / 7 3
201B0VME125 45% 0.53 PF00749 C8_S120 - (17)4 - / 1 / 4 2
202B0VP9325 43% 0.58 PF03641 C3_S120 - (0)10 - / - / 9 3
203B0VLX525 66% 0.44 PF00108 C3_S117 - (0)6 - / - / 3 0
204B0VRL925 51% 0.58 PF00106 C2_S159 - (40)11 4 / - / 3 0
205B0VLA025 71% 0.56 PF02774 C3_S144 - (1)13 1 / 9 / 7 4
206B0VNC825 45% 0.50 PF01243 C1_S142 - (12)6 - / - / 11 1
207B0VQK725 57% 0.47 PF00291 C2_S133 - (32)4 - / 1 / 11 1
208B0VLL525 35% 0.56 PF14759 C1_S1101 - (0)2 - / - / 2 0
209B0VUY925 46% 0.48 PF00437 C3_S114 - (13)5 - / 2 / 6 3
210B0VQZ825 66% 0.71 PF00462 C5_S111 - (0)3 - / - / 9 0
211B0VSC224 72% 0.57 PF00547 C3_S14 - (0)2 - / - / 4 0
212B0VQ6824 61% 0.67 PF02826 C1_S177 - (31)9 7 / - / 4 2
213B0VKN824 65% 0.56 PF03144 C2_S118 - (0)3 - / 8 / 2 2
214B0VM7124 62% 0.55 PF03950 C6_S142 - (36)10 - / 16 / 5 5
215B0VQ9324 34% 0.49 PF00082 C3_S113 - (0)4 - / - / 3 0
216B0VV2124 36% 0.60 PF00155 C1_S126 - (19)8 - / 1 / 10 2
217B0VMX524 99% 0.61 PF01116 C5_S123 - (15)11 - / 3 / 17 5
218B0VMV424 100% 0.61 PF00132 C2_S154 - (29)10 - / 2 / 12 3
219B0VLJ224 82% 0.57 PF03466 C2_S115 - (0)5 - / - / 9 2
220B0VTZ524 33% 0.58 PF00155 C1_S135 - (23)12 - / - / 13 1
221B0VQU324 90% 0.55 PF01193 C1_S114 - (0)2 - / - / 2 0
222B0VTN224 58% 0.61 PF00106 C1_S1100 - (58)8 8 / - / - 1
223B0VT1824 55% 0.67 PF00106 C1_S198 - (59)6 - / 2 / 6 1
224B0VNX023 35% 0.48 PF02771 C2_S140 - (36)5 2 / 1 / 2 2
225B0VKL523 65% 0.54 PF00291 C4_S1107 - (68)20 - / 1 / 16 1
226B0VQ2023 48% 0.49 PF02222 C1_S147 - (37)8 - / 8 / 13 5
227B0VV0323 47% 0.52 PF02771 C2_S143 - (39)6 1 / 6 / - 3
228B0VNF623 40% 0.54 PF01168 C3_S133 - (21)14 - / 4 / 14 2
229B0VQE923 91% 0.63 PF04444 C8_S194 - (0)11 - / 7 / 6 1
230B0VP5723 58% 0.57 PF02580 C11_S130 - (0)12 - / 2 / 5 1
231B0VNG223 59% 0.56 PF13193 C2_S171 - (30)10 - / 5 / 5 0
232B0VS0623 43% 0.53 PF00291 C2_S138 - (37)6 - / 1 / 10 0
233B0VLK623 64% 0.54 PF02844 C1_S135 - (25)6 - / 2 / 11 4
234B0VUI923 32% 0.40 PF00962 C3_S144 - (15)20 - / 2 / 19 4
235B0VSP623 46% ? PF01219 C8_S1127 - (0)12 - / - / 8 1
236B0VTW623 54% 0.55 PF01807 C4_S116 - (0)9 - / 4 / 5 6
237B0VP4923 35% ? PF00512 C4_S138 - (35)10 3 / 12 / 1 4
238B0VSH923 55% 0.50 PF00587 C2_S139 - (38)9 - / 6 / 6 2
239B0VRZ323 38% 0.45 PF00175 C2_S177 - (65)6 - / 4 / 7 0
240B0VV0623 100% 0.57 PF00275 C3_S120 - (14)7 3 / 2 / 6 3
241B0VPJ623 45% 0.51 PF08402 C3_S115 - (0)6 - / 8 / 1 2
242B0VTY423 53% 0.59 PF00698 C1_S118 - (9)9 - / - / 5 1
243B0VRC723 71% 0.54 PF01336 C7_S135 - (22)7 - / 5 / 8 2
244B0VPU323 46% 0.60 -C2_S121 - (4)5 - / - / 1 0
245B0VQX523 77% 0.61 PF00056 C3_S136 - (26)11 7 / 11 / 2 4
246B0VQJ823 46% 0.58 PF00793 C6_S118 - (18)7 - / - / 7 3
247B0VQP423 50% 0.43 PF01926 C2_S169 - (0)6 5 / 10 / 4 2
248B0VRD623 33% 0.53 PF02771 C3_S139 - (32)5 2 / 5 / 1 2
249B0VTG523 84% 0.62 PF00164 8 - (0)0 - / - / - 0
250B0VR1323 57% 0.53 PF01597 18 - (0)7 - / - / - 0

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