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]
250B0VPU323 46% 0.60 -C2_S121 - (4)5 - / - / 1 0
251B0VQ2023 48% 0.49 PF02222 C1_S147 - (37)8 - / 8 / 13 5
252B0VV2423 100% 0.65 PF00275 C7_S131 - (13)8 - / 2 / 7 3
253B0VT3822 58% 0.49 PF00766 C3_S127 - (27)2 9 / - / - 1
254B0VR2822 70% 0.61 PF00456 C1_S19 - (0)2 - / - / 2 1
255B0VPK322 50% 0.83 PF01230 C2_S1131 - (0)9 - / - / 6 3
256B0VMM222 32% 0.47 PF01687 C3_S130 - (12)4 - / - / 9 1
257B0VV8422 52% ? PF01588 C1_S14 - (3)4 - / 1 / 2 2
258B0VKP922 59% 0.55 PF13603 C1_S116 - (0)4 - / 4 / 1 1
259B0VPY722 55% 0.52 PF14815 C4_S157 - (0)6 3 / - / 2 0
260B0VKK422 54% 0.59 PF02548 7 - (4)2 - / - / - 0
261B0VKR722 99% 0.55 PF03129 C2_S121 - (8)6 - / 4 / 2 3
262B0VVA322 34% 0.64 PF00202 C2_S158 - (36)6 - / 1 / 4 0
263B0VRK722 43% 0.53 PF02873 C5_S153 - (38)9 7 / 5 / 1 1
264B0VUE722 64% 0.57 PF00903 C2_S136 - (0)10 - / - / 9 0
265B0VMH122 48% 0.40 PF00909 C2_S117 - (0)5 - / - / 3 1
266B0VPC222 54% 0.42 PF00475 C2_S114 - (0)12 - / - / 12 1
267B0VRE722 54% 0.48 PF01923 C7_S144 - (21)4 - / - / 3 1
268B0VUG222 100% 0.60 PF00486 C2_S117 - (0)2 - / - / 2 0
269B0VND422 78% 0.64 PF00463 C5_S129 - (22)9 - / - / 9 3
270B0VML622 54% 0.51 PF03702 C2_S144 - (25)5 - / 2 / 4 1
271B0VKI722 50% 0.55 PF00557 C1_S119 - (0)13 - / - / 7 0
272B0VUS022 51% 0.43 PF00218 C2_S118 - (8)11 - / 5 / 6 5
273B0VQH822 41% 0.44 PF01128 C1_S132 - (27)10 - / 7 / 5 3
274B0VMZ922 48% 0.65 PF14437 C5_S141 - (8)4 - / - / 3 0
275B0VQW322 62% 0.60 PF03358 C1_S161 - (45)9 - / 2 / 3 1
276B0VL2822 49% 0.55 PF13840 C2_S122 - (5)5 - / 2 / 5 2
277B0VLS422 42% 0.56 PF00485 C5_S132 - (23)4 - / - / 2 0
278B0VMS422 55% 0.52 PF00408 C1_S119 - (17)12 - / - / 17 7
279B0VQD822 43% 0.56 PF01244 C2_S113 - (0)5 - / - / 4 1
280B0VVG922 51% 0.49 PF06628 C8_S16 - (1)2 2 / - / - 1
281B0VPZ822 71% 0.65 PF01113 C1_S148 - (33)9 4 / 9 / 2 4
282B0VT8122 99% 0.65 PF00691 C4_S110 - (0)4 - / - / 3 2
283B0VQL522 34% 0.52 PF00294 C1_S155 - (0)2 - / 1 / 20 1
284B0VT3022 98% 0.55 PF01678 C4_S111 - (4)6 - / - / 6 4
285B0VRI722 52% 0.55 PF00108 C6_S112 - (3)5 - / - / 1 0
286B0VUE222 46% 0.50 PF01975 C5_S136 - (27)10 - / - / 6 2
287B0VTE322 66% 0.66 PF00696 C1_S163 - (53)10 - / 3 / 8 3
288B0VUQ122 68% 0.75 PF00834 C4_S121 - (9)5 - / - / 4 2
289B0VML722 46% 0.55 PF00579 C2_S137 - (32)10 - / 3 / 7 0
290B0VM3022 63% 0.51 PF02771 C2_S149 - (47)8 3 / 4 / 3 3
291B0VTG322 72% 0.50 PF03144 C1_S152 - (0)6 - / 9 / 5 2
292B0VN0022 49% 0.63 PF02224 C3_S151 - (43)14 - / 10 / 7 6
293B0VLG622 88% 0.45 PF10431 C2_S120 - (0)6 1 / 12 / - 3
294B0VSH021 59% 0.46 PF00873 15 - (0)0 - / - / - 0
295B0VUX321 37% 0.45 PF00005 C1_S123 - (0)8 - / 4 / 4 1
296B0VQB921 46% 0.60 PF00459 C6_S122 - (16)6 - / - / 4 1
297B0VTY321 58% 0.61 PF00106 C1_S161 - (0)20 - / - / 20 0
298B0VM9521 52% 0.52 PF01967 24 - (0)1 - / - / - 0
299B0VS2521 42% 0.53 PF02525 C1_S1223 - (111)11 1 / 1 / 1 0
300B0VSD621 33% 0.51 PF03143 C4_S140 - (0)8 1 / 6 / 4 1

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