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]
200B0VQC220 38% 0.54 PF08402 C1_S157 - (0)9 - / 3 / 6 0
201B0VTW623 54% 0.55 PF01807 C4_S116 - (0)9 - / 4 / 5 6
202B0VPA723 66% 0.68 PF00977 C2_S145 - (4)9 - / - / 5 1
203B0VV8027 56% 0.85 PF00085 C2_S159 - (0)9 - / - / 6 0
204B0VPT820 99% 0.56 PF02769 C3_S147 - (0)9 - / - / 12 5
205B0VRK722 43% 0.53 PF02873 C5_S153 - (38)9 7 / 5 / 1 1
206B0VT2927 63% 0.53 PF00278 C1_S131 - (27)9 - / 2 / 8 2
207B0VTF627 70% 0.60 PF07992 C1_S1154 - (135)9 18 / 2 / 5 4
208B0VQW322 62% 0.60 PF03358 C1_S161 - (45)9 - / 2 / 3 1
209B0VM3120 52% 0.47 PF13193 C1_S157 - (25)9 - / 7 / 2 2
210B0VSL420 57% 0.56 PF00579 C4_S138 - (31)9 - / - / 8 2
211B0VTY423 53% 0.59 PF00698 C1_S118 - (9)9 - / - / 5 1
212B0VPB720 37% 0.63 PF00977 C1_S140 - (1)9 2 / 4 / 4 1
213B0VPK322 50% 0.83 PF01230 C2_S1131 - (0)9 - / - / 6 3
214B0VM6420 52% 0.61 PF01715 C4_S127 - (7)9 - / - / 7 2
215B0VV2423 100% 0.65 PF00275 C7_S131 - (13)8 - / 2 / 7 3
216B0VTX835 62% 0.62 PF00926 C4_S130 - (0)8 - / - / 17 3
217B0VP9868 69% 0.55 PF00521 C6_S1125 - (0)8 - / 3 / 41 0
218B0VPW120 60% 0.48 PF09298 C4_S113 - (9)8 - / - / 8 2
219B0VSD621 33% 0.51 PF03143 C4_S140 - (0)8 1 / 6 / 4 1
220B0VL2919 72% 0.57 PF07973 C2_S121 - (0)8 1 / 8 / 4 5
221B0VUX115 47% 0.35 PF14489 C8_S130 - (2)8 - / - / 9 2
222B0VV2124 36% 0.60 PF00155 C1_S126 - (19)8 - / 1 / 10 2
223B0VQ2023 48% 0.49 PF02222 C1_S147 - (37)8 - / 8 / 13 5
224B0VTN224 58% 0.61 PF00106 C1_S1100 - (58)8 8 / - / - 1
225B0VKK631 39% 0.53 PF12627 C5_S126 - (16)8 - / - / 16 3
226B0VKX420 80% 0.79 PF00764 C3_S125 - (22)8 - / 1 / 4 2
227B0VND026 37% 0.52 PF01070 C2_S160 - (37)8 2 / - / 5 1
228B0VPU130 52% 0.54 PF00926 C3_S126 - (0)8 - / - / 14 3
229B0VNG330 67% 0.53 PF02771 C2_S147 - (45)8 8 / 7 / 2 3
230B0VMP729 58% 0.45 PF02749 C6_S149 - (29)8 - / - / 18 3
231B0VRH621 67% 0.48 PF00108 C4_S121 - (8)8 - / - / 4 0
232B0VP0720 59% 0.67 PF00156 C2_S148 - (34)8 - / 1 / 13 4
233B0VTZ315 32% 0.50 PF00117 C2_S145 - (41)8 - / 2 / 9 1
234B0VT2420 47% 0.58 PF01336 C8_S133 - (23)8 1 / 6 / 1 2
235B0VTX021 69% 0.60 PF13793 C9_S127 - (27)8 - / 1 / 13 2
236B0VLE338 38% 0.64 PF01177 C3_S142 - (34)8 2 / - / 25 3
237B0VUX321 37% 0.45 PF00005 C1_S123 - (0)8 - / 4 / 4 1
238B0VQ8720 60% 0.57 PF00171 C3_S128 - (0)8 - / 9 / 2 1
239B0VQ4921 68% 0.58 PF01042 C4_S137 - (0)8 - / - / 1 0
240B0VUG120 39% ? PF00512 C2_S141 - (36)8 2 / 6 / - 0
241B0VM3022 63% 0.51 PF02771 C2_S149 - (47)8 3 / 4 / 3 3
242B0VT3948 69% 0.51 PF00521 C4_S1111 - (0)8 - / 3 / 29 1
243B0VR7017 73% 0.51 PF01926 C3_S163 - (0)8 - / 5 / 3 3
244B0VQX917 39% 0.51 PF04378 C5_S125 - (0)8 - / 2 / 3 1
245B0VP6126 37% 0.59 PF01177 C2_S136 - (26)8 - / 1 / 10 3
246B0VMU426 62% 0.47 PF00696 C1_S129 - (16)8 - / 4 / 6 3
247B0VV7626 43% 0.52 PF14748 C3_S123 - (17)8 2 / 1 / 7 0
248B0VSI119 55% 0.55 PF00588 C2_S135 - (0)8 - / 6 / 4 0
249B0VP5419 47% 0.52 PF04095 C4_S123 - (3)8 - / - / 5 0
250B0VTA613 75% 0.69 PF12804 C1_S162 - (43)8 - / 3 / 4 3

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