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]
300B0VM3216 63% 0.46 PF01613 C3_S174 - (0)2 2 / - / 1 1
301B0VQK645 63% 0.54 PF06026 C4_S153 - (21)19 - / - / 26 7
302B0VQ8421 63% 0.59 PF02812 10 - (0)1 - / - / - 0
303B0VRR24 63% 0.56 PF03201 13 - (0)? - / - / - 0
304B0VTD320 63% 0.53 PF01475 C5_S113 - (0)1 - / - / 1 0
305B0VM3022 63% 0.51 PF02771 C2_S149 - (47)8 3 / 4 / 3 3
306B0VL2320 63% 0.53 PF00962 C1_S134 - (10)6 - / - / 8 3
307B0VQD420 63% 0.52 PF12706 6 - (0)? - / - / - 0
308B0VQI620 63% 0.48 PF00117 C3_S113 - (10)7 - / 1 / 8 3
309B0VR4120 63% 0.64 PF04055 C3_S197 - (11)3 - / - / 6 0
310B0VQ8813 63% 0.46 PF04996 11 - (6)? - / - / - 0
311B0VSK941 63% 0.58 PF02852 C1_S160 - (52)4 27 / - / - 1
312B0VL4212 63% 0.42 PF00037 C7_S164 - (0)2 - / - / 11 0
313B0VSA9103 63% 0.57 PF05191 C2_S1152 - (137)14 75 / 26 / 1 5
314B0VLA953 63% 0.67 PF00180 C7_S169 - (58)17 - / 8 / 31 4
315B0VT3720 63% 0.56 PF01012 C2_S126 - (0)2 - / 7 / - 1
316B0VL6999 63% 0.58 PF00303 C6_S1174 - (96)20 - / 22 / 42 8
317B0VLX421 63% 0.57 PF02737 C2_S138 - (36)7 4 / 1 / 3 1
318B0VNL90 63% ? PF01022 4 - (0)? - / - / - 0
319B0VP9614 62% 0.42 PF05197 9 - (0)? - / - / - 0
320B0VQT111 62% 0.56 PF00253 0 - (0)? - / - / - 0
321B0VKC718 62% 0.58 PF00814 C2_S132 - (31)10 - / 12 / 1 5
322B0VRY319 62% 0.50 PF01546 C1_S119 - (3)5 - / - / 3 1
323B0VN6620 62% 0.57 PF00171 9 - (0)? - / - / - 0
324B0VQT317 62% 0.57 PF00347 0 - (0)? - / - / - 0
325B0VTX835 62% 0.62 PF00926 C4_S130 - (0)8 - / - / 17 3
326B0VLR720 62% 0.49 PF03725 10 - (0)? - / - / - 0
327B0VQA218 62% 0.56 PF02091 C1_S118 - (13)5 - / 1 / 3 1
328B0VKM337 62% 0.38 PF02776 C8_S150 - (40)10 27 / 3 / - 3
329B0VME011 62% 0.60 PF01258 1 - (0)? - / - / - 0
330B0VKU613 62% 0.52 PF00254 37 - (0)? - / - / - 0
331B0VM7124 62% 0.55 PF03950 C6_S142 - (36)10 - / 16 / 5 5
332B0VS7013 62% 0.58 PF13580 C2_S116 - (0)2 - / - / 3 1
333B0VVG519 62% 0.62 PF00313 C4_S133 - (0)4 1 / - / - 0
334B0VR0282 62% 0.60 PF00557 C2_S199 - (0)20 - / 4 / 64 32
335B0VMU426 62% 0.47 PF00696 C1_S129 - (16)8 - / 4 / 6 3
336B0VQX112 62% 0.52 PF05856 12 - (0)? - / - / - 0
337B0VQW322 62% 0.60 PF03358 C1_S161 - (45)9 - / 2 / 3 1
338B0VUK60 62% 0.45 PF12777 1 - (0)? - / - / - 0
339B0VSP44 62% 0.49 PF00166 1 - (0)? - / - / - 0
340B0VML011 61% 0.36 PF01521 2 - (2)? - / - / - 0
341B0VSB517 61% 0.63 PF02492 55 - (46)? - / - / - 0
342B0VM6212 61% 0.55 PF00005 C4_S19 - (0)2 - / 3 / 2 1
343B0VKS836 61% 0.52 PF00933 C4_S143 - (23)20 - / - / 25 8
344B0VSH516 61% ? PF00829 0 - (0)? - / - / - 0
345B0VQN946 61% 0.68 PF00156 C1_S1131 - (74)20 - / 3 / 33 10
346B0VS1321 61% ? PF01425 C5_S151 - (0)12 - / - / 9 2
347B0VM136 61% 0.35 PF00510 4 - (0)? - / - / - 0
348B0VM2937 61% 0.64 PF00106 C1_S190 - (70)10 19 / 1 / 4 2
349B0VL7620 61% 0.56 PF00551 C6_S1121 - (28)20 - / 13 / 6 0
350B0VUE94 61% ? PF01197 10 - (0)? - / - / - 0

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