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]
150B0VMX524 99% 0.61 PF01116 C5_S123 - (15)11 - / 3 / 17 5
151B0VUS022 51% 0.43 PF00218 C2_S118 - (8)11 - / 5 / 6 5
152B0VKQ344 54% 0.36 PF00005 C2_S159 - (0)11 - / - / 27 4
153B0VNT728 33% 0.43 PF00005 C2_S149 - (0)11 - / 7 / 2 0
154B0VPX533 66% 0.47 PF01259 C4_S168 - (52)11 - / 12 / 15 7
155B0VUS520 30% 0.41 PF01433 C2_S123 - (0)10 - / - / 8 0
156B0VP9325 43% 0.58 PF03641 C3_S120 - (0)10 - / - / 9 3
157B0VMH286 74% 0.62 PF00543 C5_S1100 - (0)10 - / 35 / 46 3
158B0VP0829 44% 0.51 PF03372 C1_S1103 - (1)10 - / 11 / 5 2
159B0VMD717 68% 0.47 PF01964 C2_S135 - (0)10 - / 4 / 13 3
160B0VPN835 55% 0.54 PF00158 C5_S138 - (0)10 - / 7 / 12 5
161B0VUE222 46% 0.50 PF01975 C5_S136 - (27)10 - / - / 6 2
162B0VML722 46% 0.55 PF00579 C2_S137 - (32)10 - / 3 / 7 0
163B0VNB821 67% 0.57 PF13193 C6_S158 - (28)10 - / 9 / 6 2
164B0VN0426 57% 0.67 PF00215 C2_S137 - (29)10 - / 13 / 5 3
165B0VTF717 41% 0.53 PF03588 C8_S123 - (0)10 - / 2 / 8 2
166B0VM7124 62% 0.55 PF03950 C6_S142 - (36)10 - / 16 / 5 5
167B0VMY728 48% 0.48 PF02348 C1_S141 - (33)10 - / 10 / 11 4
168B0VNG223 59% 0.56 PF13193 C2_S171 - (30)10 - / 5 / 5 0
169B0VMV424 100% 0.61 PF00132 C2_S154 - (29)10 - / 2 / 12 3
170B0VTR519 39% 0.51 PF00768 C4_S128 - (0)10 - / - / 6 0
171B0VND620 42% 0.49 PF00694 C5_S135 - (14)10 - / - / 6 0
172B0VLB220 36% 0.41 PF00694 C2_S135 - (14)10 - / - / 5 0
173B0VTB328 43% 0.50 PF01019 C2_S137 - (0)10 - / - / 2 0
174B0VQH822 41% 0.44 PF01128 C1_S132 - (27)10 - / 7 / 5 3
175B0VUZ620 44% 0.51 PF00905 C1_S120 - (0)10 - / - / 8 0
176B0VP4923 35% ? PF00512 C4_S138 - (35)10 3 / 12 / 1 4
177B0VNZ470 57% 0.65 PF00091 C3_S171 - (0)10 - / 17 / 38 5
178B0VKC718 62% 0.58 PF00814 C2_S132 - (31)10 - / 12 / 1 5
179B0VR7920 58% 0.52 PF02222 C1_S161 - (42)10 - / 13 / 4 5
180B0VKM337 62% 0.38 PF02776 C8_S150 - (40)10 27 / 3 / - 3
181B0VM2937 61% 0.64 PF00106 C1_S190 - (70)10 19 / 1 / 4 2
182B0VMS348 56% 0.56 PF16363 C1_S1123 - (111)10 46 / 6 / - 2
183B0VQC831 47% 0.62 PF03641 C5_S118 - (0)10 - / - / 7 3
184B0VPG118 42% 0.49 PF00905 C2_S123 - (0)10 - / 8 / 4 6
185B0VMA653 86% 0.86 PF03143 C1_S175 - (0)10 14 / 24 / 13 3
186B0VNW229 68% 0.55 PF00266 C1_S154 - (0)10 - / - / 22 1
187B0VTE322 66% 0.66 PF00696 C1_S163 - (53)10 - / 3 / 8 3
188B0VKN420 53% 0.53 PF00694 C3_S135 - (14)10 - / - / 5 0
189B0VUE722 64% 0.57 PF00903 C2_S136 - (0)10 - / - / 9 0
190B0VTY423 53% 0.59 PF00698 C1_S118 - (9)9 - / - / 5 1
191B0VV8027 56% 0.85 PF00085 C2_S159 - (0)9 - / - / 6 0
192B0VPT820 99% 0.56 PF02769 C3_S147 - (0)9 - / - / 12 5
193B0VT2927 63% 0.53 PF00278 C1_S131 - (27)9 - / 2 / 8 2
194B0VND422 78% 0.64 PF00463 C5_S129 - (22)9 - / - / 9 3
195B0VS6930 43% 0.66 PF08282 C2_S127 - (0)9 - / - / 6 3
196B0VM3120 52% 0.47 PF13193 C1_S157 - (25)9 - / 7 / 2 2
197B0VU2615 44% 0.53 PF01048 C2_S154 - (13)9 - / 4 / 4 3
198B0VRK722 43% 0.53 PF02873 C5_S153 - (38)9 7 / 5 / 1 1
199B0VPZ822 71% 0.65 PF01113 C1_S148 - (33)9 4 / 9 / 2 4
200B0VPA723 66% 0.68 PF00977 C2_S145 - (4)9 - / - / 5 1

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