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]
200B0VKD120 36% 0.38 PF00069 59 - (18)? - / - / - 0
201B0VQD712 26% 0.36 PF04055 58 - (3)? - / - / - 0
202B0VTA57 30% 0.27 PF04055 C5_S158 - (4)5 - / - / 4 1
203B0VTL818 61% 0.54 PF02910 C2_S158 - (50)6 3 / - / 5 3
204B0VP2518 56% 0.50 PF01494 C2_S158 - (0)2 5 / - / - 1
205B0VVA322 34% 0.64 PF00202 C2_S158 - (36)6 - / 1 / 4 0
206B0VLC319 23% 0.42 PF13193 58 - (29)? - / - / - 0
207B0VNB821 67% 0.57 PF13193 C6_S158 - (28)10 - / 9 / 6 2
208B0VST320 35% 0.46 PF00732 58 - (45)? - / - / - 0
209B0VR8960 86% 0.56 PF00710 C9_S157 - (56)14 - / - / 36 4
210B0VQC220 38% 0.54 PF08402 C1_S157 - (0)9 - / 3 / 6 0
211B0VPY722 55% 0.52 PF14815 C4_S157 - (0)6 3 / - / 2 0
212B0VLS615 45% 0.45 PF00891 57 - (0)? - / - / - 0
213B0VMJ816 70% 0.39 PF00230 C7_S157 - (0)3 - / - / 1 0
214B0VSH443 99% 0.56 PF00348 C1_S157 - (45)16 - / - / 30 3
215B0VM3120 52% 0.47 PF13193 C1_S157 - (25)9 - / 7 / 2 2
216B0VM1420 67% 0.35 PF00115 C1_S157 - (0)3 2 / - / 2 0
217B0VMP215 27% 0.41 PF00175 57 - (34)1 - / - / - 0
218B0VL850 42% 0.80 PF00076 57 - (0)? - / - / - 0
219B0VMM659 41% 0.48 PF08402 C1_S156 - (0)12 - / 18 / 21 7
220B0VPA320 99% 0.35 PF03573 56 - (0)2 - / - / - 0
221B0VN0219 56% 0.52 PF00216 C7_S156 - (0)2 3 / - / 4 0
222B0VU4335 65% 0.57 PF00156 C5_S156 - (45)12 - / 5 / 18 2
223B0VLG49 35% 0.57 PF00583 56 - (34)? - / - / - 0
224B0VUU538 59% 0.52 PF00670 C4_S156 - (39)14 20 / 12 / 2 0
225B0VV0720 52% 0.56 PF00132 C2_S155 - (31)2 - / - / 2 0
226B0VQL522 34% 0.52 PF00294 C1_S155 - (0)2 - / 1 / 20 1
227B0VP3050 64% 0.51 PF01751 C3_S155 - (0)20 6 / 24 / 15 17
228B0VMT946 56% 0.59 PF02729 C10_S155 - (39)12 - / 10 / 20 5
229B0VSB517 61% 0.63 PF02492 55 - (46)? - / - / - 0
230B0VLE018 43% 0.53 PF00762 C3_S155 - (0)4 - / - / 2 0
231B0VMV424 100% 0.61 PF00132 C2_S154 - (29)10 - / 2 / 12 3
232B0VKJ520 37% 0.52 PF13193 C4_S154 - (22)5 - / 1 / 4 0
233B0VUC926 52% 0.51 PF00488 C3_S154 - (0)2 - / 13 / 11 0
234B0VLK429 45% 0.49 PF00005 C1_S154 - (0)14 - / 8 / 11 3
235B0VU2615 44% 0.53 PF01048 C2_S154 - (13)9 - / 4 / 4 3
236B0VU9120 36% 0.57 PF02581 C3_S154 - (42)6 - / - / 7 1
237B0VNW229 68% 0.55 PF00266 C1_S154 - (0)10 - / - / 22 1
238B0VPG89 47% 0.45 PF08003 53 - (34)? - / - / - 0
239B0VMS026 56% 0.57 PF00483 C1_S153 - (39)6 - / 13 / 1 3
240B0VQK645 63% 0.54 PF06026 C4_S153 - (21)19 - / - / 26 7
241B0VRK722 43% 0.53 PF02873 C5_S153 - (38)9 7 / 5 / 1 1
242B0VQI469 67% 0.54 PF03952 C1_S153 - (44)14 - / 2 / 45 8
243B0VKM920 43% 0.62 PF01207 C3_S153 - (36)4 6 / 7 / - 1
244B0VMV221 100% 0.51 PF04613 C2_S153 - (20)3 - / - / 1 0
245B0VRP713 45% 0.63 PF00691 C4_S153 - (0)2 - / - / 2 0
246B0VMP114 44% 0.64 PF00440 53 - (0)? - / - / - 0
247B0VTG322 72% 0.50 PF03144 C1_S152 - (0)6 - / 9 / 5 2
248B0VNC917 48% 0.54 PF00392 52 - (0)1 - / - / - 0
249B0VTN828 45% 0.58 PF00155 C1_S152 - (37)7 - / 1 / 23 1
250B0VQ1220 56% 0.56 PF00551 52 - (0)5 - / - / - 0

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