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]
250B0VTN224 58% 0.61 PF00106 C1_S1100 - (58)8 8 / - / - 1
251B0VT2420 47% 0.58 PF01336 C8_S133 - (23)8 1 / 6 / 1 2
252B0VKB126 40% 0.61 PF00271 C2_S170 - (0)7 2 / - / 6 1
253B0VTM227 72% 0.52 PF03144 C1_S129 - (0)7 - / 1 / 9 2
254B0VP9920 33% 0.56 PF13193 C2_S164 - (24)7 - / 2 / 3 0
255B0VUR635 44% 0.45 PF01799 C5_S130 - (16)7 - / - / 5 0
256B0VTN828 45% 0.58 PF00155 C1_S152 - (37)7 - / 1 / 23 1
257B0VUY526 70% 0.59 PF00175 C4_S192 - (68)7 26 / - / 4 1
258B0VRC723 71% 0.54 PF01336 C7_S135 - (22)7 - / 5 / 8 2
259B0VV0623 100% 0.57 PF00275 C3_S120 - (14)7 3 / 2 / 6 3
260B0VLX421 63% 0.57 PF02737 C2_S138 - (36)7 4 / 1 / 3 1
261B0VTH120 100% 0.52 PF02540 C1_S133 - (32)7 - / 4 / 2 0
262B0VQI620 63% 0.48 PF00117 C3_S113 - (10)7 - / 1 / 8 3
263B0VT8920 57% 0.62 PF05496 C1_S126 - (0)7 - / 12 / 5 4
264B0VUU032 38% 0.44 PF12627 C3_S120 - (16)7 - / - / 14 3
265B0VN8019 31% 0.67 PF03070 C5_S135 - (11)7 - / - / 6 1
266B0VQJ823 46% 0.58 PF00793 C6_S118 - (18)7 - / - / 7 3
267B0VNZ820 68% 0.61 PF08245 C1_S152 - (27)7 4 / 6 / - 2
268B0VL0330 72% 0.60 PF13378 C1_S114 - (5)7 - / - / 10 2
269B0VR1323 57% 0.53 PF01597 18 - (0)7 - / - / - 0
270B0VUV218 47% 0.55 PF04055 C3_S189 - (13)7 - / 1 / 7 0
271B0VPX19 60% 0.45 PF00195 C2_S143 - (0)7 - / 3 / 4 1
272B0VTF120 67% 0.62 PF01656 C1_S160 - (58)7 2 / 10 / 1 0
273B0VRZ323 38% 0.45 PF00175 C2_S177 - (65)6 - / 4 / 7 0
274B0VM2712 46% 0.49 PF05175 C2_S132 - (22)6 - / 2 / 3 0
275B0VPZ020 55% 0.52 PF03352 C3_S128 - (0)6 - / - / 5 1
276B0VQD120 29% 0.48 PF00149 C1_S127 - (9)6 - / 1 / 4 0
277B0VUF813 33% 0.42 PF02230 C3_S116 - (1)6 - / - / 6 1
278B0VV0323 47% 0.52 PF02771 C2_S143 - (39)6 1 / 6 / - 3
279B0VQK021 59% 0.46 PF10431 C2_S116 - (0)6 1 / 8 / 4 3
280B0VQB921 46% 0.60 PF00459 C6_S122 - (16)6 - / - / 4 1
281B0VS7120 54% 0.58 PF01406 C2_S130 - (15)6 - / 1 / 4 2
282B0VKK912 34% 0.40 PF00106 C1_S177 - (60)6 2 / 2 / - 0
283B0VQH528 52% 0.51 PF00108 C6_S114 - (4)6 - / 4 / - 1
284B0VNC825 45% 0.50 PF01243 C1_S142 - (12)6 - / - / 11 1
285B0VUR518 57% 0.62 PF01227 C11_S124 - (0)6 - / 2 / 15 2
286B0VMQ920 35% 0.45 PF01041 C1_S146 - (0)6 - / 1 / 5 1
287B0VL8917 67% 0.47 PF01396 C1_S110 - (0)6 2 / - / 4 2
288B0VV2213 61% 0.64 PF00815 C4_S115 - (9)6 - / 2 / 4 2
289B0VU9519 45% 0.47 PF01479 C4_S115 - (0)6 2 / - / 4 0
290B0VPF628 63% 0.54 PF00749 C2_S119 - (16)6 - / 4 / 7 1
291B0VSK544 52% 0.54 PF02910 C1_S151 - (45)6 29 / 1 / 2 1
292B0VMJ120 41% 0.40 PF00425 C1_S116 - (0)6 - / - / 5 0
293B0VU9120 36% 0.57 PF02581 C3_S154 - (42)6 - / - / 7 1
294B0VRA420 51% 0.47 PF02441 C4_S116 - (9)6 4 / - / 5 3
295B0VR8120 49% 0.59 PF00155 C1_S134 - (27)6 - / - / 6 2
296B0VKR722 99% 0.55 PF03129 C2_S121 - (8)6 - / 4 / 2 3
297B0VLK623 64% 0.54 PF02844 C1_S135 - (25)6 - / 2 / 11 4
298B0VTL818 61% 0.54 PF02910 C2_S158 - (50)6 3 / - / 5 3
299B0VSI820 35% 0.59 PF00465 C5_S137 - (32)6 1 / 2 / - 0
300B0VKL620 37% ? PF00512 C3_S133 - (31)6 1 / 3 / 2 0

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