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]
150B0VR3436 95% 0.63 PF00905 C3_S167 - (0)20 - / - / 31 11
151B0VPS020 40% 0.46 PF00175 C1_S167 - (45)4 2 / - / 1 0
152B0VPM964 58% 0.59 PF00291 C3_S167 - (55)16 6 / 9 / 32 8
153B0VUP220 47% 0.47 PF00452 66 - (0)? - / - / - 0
154B0VRJ750 74% 0.59 PF02786 C1_S166 - (32)20 2 / 27 / 20 19
155B0VMX915 58% 0.53 PF00483 66 - (12)? - / - / - 0
156B0VKC333 43% 0.55 PF02826 C2_S165 - (43)16 6 / 5 / 5 4
157B0VKV320 48% 0.41 PF00293 C2_S165 - (29)6 - / 1 / 1 1
158B0VLU677 47% 0.62 PF00121 C7_S165 - (40)19 - / - / 33 8
159B0VMK41 34% 0.61 PF07361 65 - (0)1 - / - / - 0
160B0VP9920 33% 0.56 PF13193 C2_S164 - (24)7 - / 2 / 3 0
161B0VQB544 47% 0.55 PF08501 C4_S164 - (58)11 7 / 4 / 26 3
162B0VRI220 28% 0.41 PF03460 C3_S164 - (23)2 - / - / 2 0
163B0VL4212 63% 0.42 PF00037 C7_S164 - (0)2 - / - / 11 0
164B0VQ5863 55% 0.56 PF01746 C6_S164 - (22)20 1 / 39 / 18 35
165B0VSR62 27% 0.27 PF12122 63 - (0)? - / - / - 0
166B0VR7017 73% 0.51 PF01926 C3_S163 - (0)8 - / 5 / 3 3
167B0VMM416 34% 0.47 PF01048 C2_S163 - (0)6 - / - / 4 0
168B0VTE322 66% 0.66 PF00696 C1_S163 - (53)10 - / 3 / 8 3
169B0VQC054 45% 0.67 PF00271 C4_S162 - (0)15 5 / 11 / 22 6
170B0VME539 49% 0.68 PF07670 C4_S162 - (0)13 5 / 17 / 9 7
171B0VTA613 75% 0.69 PF12804 C1_S162 - (43)8 - / 3 / 4 3
172B0VMQ815 76% 0.56 PF16363 C1_S162 - (57)3 - / - / 3 0
173B0VP2820 44% 0.19 PF00106 62 - (0)? - / - / - 0
174B0VRR047 56% 0.53 PF02786 C4_S161 - (29)20 - / 11 / 23 14
175B0VMR217 42% 0.57 PF12464 C5_S161 - (42)1 - / - / 1 0
176B0VV4858 52% 0.43 PF02786 C3_S161 - (29)20 1 / 20 / 21 16
177B0VQW322 62% 0.60 PF03358 C1_S161 - (45)9 - / 2 / 3 1
178B0VUA112 31% 0.38 PF00175 C3_S161 - (41)2 - / 1 / - 0
179B0VTY321 58% 0.61 PF00106 C1_S161 - (0)20 - / - / 20 0
180B0VR7920 58% 0.52 PF02222 C1_S161 - (42)10 - / 13 / 4 5
181B0VSK941 63% 0.58 PF02852 C1_S160 - (52)4 27 / - / - 1
182B0VT5855 50% 0.60 PF00005 C1_S160 - (0)15 - / 5 / 36 7
183B0VTF120 67% 0.62 PF01656 C1_S160 - (58)7 2 / 10 / 1 0
184B0VN8621 40% 0.36 PF00072 C5_S160 - (0)2 - / - / 2 0
185B0VR6831 44% 0.45 PF00005 C1_S160 - (0)15 - / 7 / 12 4
186B0VR1836 55% 0.53 PF00171 C3_S160 - (0)19 17 / 3 / 8 6
187B0VNW634 70% 0.57 PF00216 C6_S160 - (0)3 4 / 1 / 9 1
188B0VKW836 55% 0.57 PF00929 C1_S160 - (52)3 4 / 26 / 4 1
189B0VPD520 36% 0.49 PF00106 C1_S160 - (41)4 4 / - / - 0
190B0VSN033 100% 0.63 PF02882 C3_S160 - (48)16 6 / 16 / 5 4
191B0VU494 46% 0.33 PF00037 60 - (0)? - / - / - 0
192B0VQQ920 55% 0.53 PF01926 C2_S160 - (0)4 - / 8 / - 2
193B0VND026 37% 0.52 PF01070 C2_S160 - (37)8 2 / - / 5 1
194B0VKQ344 54% 0.36 PF00005 C2_S159 - (0)11 - / - / 27 4
195B0VRL925 51% 0.58 PF00106 C2_S159 - (40)11 4 / - / 3 0
196B0VTZ931 42% 0.56 PF00982 C2_S159 - (22)17 1 / 8 / 16 4
197B0VV8027 56% 0.85 PF00085 C2_S159 - (0)9 - / - / 6 0
198B0VU0243 52% 0.47 PF03119 C8_S159 - (29)20 2 / 17 / 24 19
199B0VKD120 36% 0.38 PF00069 59 - (18)? - / - / - 0
200B0VQ3445 99% 0.61 PF01202 C3_S159 - (56)6 18 / 8 / 12 2

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