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]
200B0VPL420 42% 0.55 PF01053 C1_S132 - (27)9 - / - / 5 0
201B0VPK322 50% 0.83 PF01230 C2_S1131 - (0)9 - / - / 6 3
202B0VT2927 63% 0.53 PF00278 C1_S131 - (27)9 - / 2 / 8 2
203B0VPZ822 71% 0.65 PF01113 C1_S148 - (33)9 4 / 9 / 2 4
204B0VM6420 52% 0.61 PF01715 C4_S127 - (7)9 - / - / 7 2
205B0VMY520 98% ? PF00005 C2_S180 - (78)9 - / 3 / 1 0
206B0VQW322 62% 0.60 PF03358 C1_S161 - (45)9 - / 2 / 3 1
207B0VTF627 70% 0.60 PF07992 C1_S1154 - (135)9 18 / 2 / 5 4
208B0VSL420 57% 0.56 PF00579 C4_S138 - (31)9 - / - / 8 2
209B0VS6930 43% 0.66 PF08282 C2_S127 - (0)9 - / - / 6 3
210B0VQH020 91% 0.74 PF12391 C9_S119 - (16)9 - / - / 6 3
211B0VTY423 53% 0.59 PF00698 C1_S118 - (9)9 - / - / 5 1
212B0VQC220 38% 0.54 PF08402 C1_S157 - (0)9 - / 3 / 6 0
213B0VV8027 56% 0.85 PF00085 C2_S159 - (0)9 - / - / 6 0
214B0VTW623 54% 0.55 PF01807 C4_S116 - (0)9 - / 4 / 5 6
215B0VP0720 59% 0.67 PF00156 C2_S148 - (34)8 - / 1 / 13 4
216B0VV7626 43% 0.52 PF14748 C3_S123 - (17)8 2 / 1 / 7 0
217B0VSD621 33% 0.51 PF03143 C4_S140 - (0)8 1 / 6 / 4 1
218B0VM3022 63% 0.51 PF02771 C2_S149 - (47)8 3 / 4 / 3 3
219B0VPU130 52% 0.54 PF00926 C3_S126 - (0)8 - / - / 14 3
220B0VTX835 62% 0.62 PF00926 C4_S130 - (0)8 - / - / 17 3
221B0VTX021 69% 0.60 PF13793 C9_S127 - (27)8 - / 1 / 13 2
222B0VSI119 55% 0.55 PF00588 C2_S135 - (0)8 - / 6 / 4 0
223B0VMU426 62% 0.47 PF00696 C1_S129 - (16)8 - / 4 / 6 3
224B0VP9868 69% 0.55 PF00521 C6_S1125 - (0)8 - / 3 / 41 0
225B0VV2423 100% 0.65 PF00275 C7_S131 - (13)8 - / 2 / 7 3
226B0VL2919 72% 0.57 PF07973 C2_S121 - (0)8 1 / 8 / 4 5
227B0VPW120 60% 0.48 PF09298 C4_S113 - (9)8 - / - / 8 2
228B0VNG330 67% 0.53 PF02771 C2_S147 - (45)8 8 / 7 / 2 3
229B0VT3948 69% 0.51 PF00521 C4_S1111 - (0)8 - / 3 / 29 1
230B0VP6126 37% 0.59 PF01177 C2_S136 - (26)8 - / 1 / 10 3
231B0VKK631 39% 0.53 PF12627 C5_S126 - (16)8 - / - / 16 3
232B0VKX420 80% 0.79 PF00764 C3_S125 - (22)8 - / 1 / 4 2
233B0VQ4921 68% 0.58 PF01042 C4_S137 - (0)8 - / - / 1 0
234B0VLV319 43% 0.64 PF01121 C2_S120 - (14)8 2 / 3 / 2 0
235B0VUG120 39% ? PF00512 C2_S141 - (36)8 2 / 6 / - 0
236B0VUX321 37% 0.45 PF00005 C1_S123 - (0)8 - / 4 / 4 1
237B0VMP729 58% 0.45 PF02749 C6_S149 - (29)8 - / - / 18 3
238B0VT2420 47% 0.58 PF01336 C8_S133 - (23)8 1 / 6 / 1 2
239B0VUX115 47% 0.35 PF14489 C8_S130 - (2)8 - / - / 9 2
240B0VTZ315 32% 0.50 PF00117 C2_S145 - (41)8 - / 2 / 9 1
241B0VP5419 47% 0.52 PF04095 C4_S123 - (3)8 - / - / 5 0
242B0VTA613 75% 0.69 PF12804 C1_S162 - (43)8 - / 3 / 4 3
243B0VV2124 36% 0.60 PF00155 C1_S126 - (19)8 - / 1 / 10 2
244B0VLE338 38% 0.64 PF01177 C3_S142 - (34)8 2 / - / 25 3
245B0VRH621 67% 0.48 PF00108 C4_S121 - (8)8 - / - / 4 0
246B0VND026 37% 0.52 PF01070 C2_S160 - (37)8 2 / - / 5 1
247B0VQ2023 48% 0.49 PF02222 C1_S147 - (37)8 - / 8 / 13 5
248B0VQX917 39% 0.51 PF04378 C5_S125 - (0)8 - / 2 / 3 1
249B0VTN224 58% 0.61 PF00106 C1_S1100 - (58)8 8 / - / - 1
250B0VQ8720 60% 0.57 PF00171 C3_S128 - (0)8 - / 9 / 2 1

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