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]
400B0VMH122 48% 0.40 PF00909 C2_S117 - (0)5 - / - / 3 1
401B0VTY020 98% 0.67 PF08543 C4_S133 - (23)5 - / - / 4 1
402B0VQ8720 60% 0.57 PF00171 C3_S128 - (0)8 - / 9 / 2 1
403B0VQK725 57% 0.47 PF00291 C2_S133 - (32)4 - / 1 / 11 1
404B0VQX37 41% 0.41 PF01464 C4_S117 - (0)4 - / - / 3 1
405B0VQL522 34% 0.52 PF00294 C1_S155 - (0)2 - / 1 / 20 1
406B0VPT625 99% 0.57 PF12804 C3_S171 - (37)12 - / - / 13 1
407B0VLC218 64% 0.56 PF00575 C2_S111 - (0)2 2 / 1 / 6 1
408B0VT3720 63% 0.56 PF01012 C2_S126 - (0)2 - / 7 / - 1
409B0VSS732 66% 0.51 PF01852 C1_S143 - (43)3 - / 17 / 16 1
410B0VM1719 36% 0.38 PF01326 C2_S14 - (0)2 - / 3 / - 1
411B0VL3029 48% 0.52 PF00044 C4_S126 - (22)2 5 / 13 / - 1
412B0VMM222 32% 0.47 PF01687 C3_S130 - (12)4 - / - / 9 1
413B0VPA723 66% 0.68 PF00977 C2_S145 - (4)9 - / - / 5 1
414B0VSK941 63% 0.58 PF02852 C1_S160 - (52)4 27 / - / - 1
415B0VLM112 33% 0.69 PF02230 C2_S133 - (2)2 - / - / 2 1
416B0VLP919 51% 0.64 PF00588 C3_S135 - (0)6 - / 11 / 1 1
417B0VPZ020 55% 0.52 PF03352 C3_S128 - (0)6 - / - / 5 1
418B0VS2314 67% 0.74 PF00403 C2_S118 - (12)2 - / - / 1 1
419B0VQE720 53% 0.57 PF02746 C1_S111 - (0)2 - / - / 4 1
420B0VUY526 70% 0.59 PF00175 C4_S192 - (68)7 26 / - / 4 1
421B0VKP922 59% 0.55 PF13603 C1_S116 - (0)4 - / 4 / 1 1
422B0VP5723 58% 0.57 PF02580 C11_S130 - (0)12 - / 2 / 5 1
423B0VSN516 55% 0.43 PF02737 C1_S1105 - (75)3 8 / - / 1 1
424B0VLP827 48% 0.69 PF12804 C2_S193 - (77)6 - / - / 8 1
425B0VS7013 62% 0.58 PF13580 C2_S116 - (0)2 - / - / 3 1
426B0VT648 99% 0.55 PF03279 C3_S125 - (7)2 - / - / 5 1
427B0VNV712 61% 0.51 PF00111 C10_S195 - (0)2 - / - / 4 1
428B0VT3822 58% 0.49 PF00766 C3_S127 - (27)2 9 / - / - 1
429B0VP1810 40% 0.54 PF09349 C3_S111 - (3)1 - / - / 1 1
430B0VLD915 50% 0.71 PF00753 C2_S130 - (10)2 - / - / 2 1
431B0VPU020 53% 0.53 PF00885 C7_S175 - (59)12 - / - / 3 1
432B0VL6411 39% 0.43 PF00058 C4_S112 - (0)3 - / 1 / 1 1
433B0VTY423 53% 0.59 PF00698 C1_S118 - (9)9 - / - / 5 1
434B0VT2320 42% 0.55 PF01842 C4_S134 - (27)2 4 / 1 / - 1
435B0VMX810 32% 0.46 PF01636 C1_S131 - (4)1 - / - / 1 1
436B0VM5818 38% 0.49 PF01479 C7_S113 - (0)5 - / - / 1 1
437B0VME317 45% 0.56 PF08245 C1_S136 - (19)5 - / 3 / 2 1
438B0VUX321 37% 0.45 PF00005 C1_S123 - (0)8 - / 4 / 4 1
439B0VTQ620 46% 0.62 PF01180 C3_S182 - (43)2 5 / 5 / - 1
440B0VQD822 43% 0.56 PF01244 C2_S113 - (0)5 - / - / 4 1
441B0VLK720 45% 0.52 PF02142 C7_S114 - (8)2 - / - / 2 1
442B0VV4216 59% 0.60 PF04166 C1_S117 - (5)2 - / - / 3 1
443B0VL3719 49% 0.55 PF00248 C4_S127 - (0)2 3 / - / - 1
444B0VT0910 37% 0.55 PF01464 C6_S145 - (0)2 - / - / 1 1
445B0VNI120 68% 0.54 PF02540 C1_S112 - (9)1 - / - / 2 1
446B0VTN017 50% 0.56 PF09968 C3_S19 - (0)2 - / - / 2 1
447B0VKX614 53% 0.52 PF00724 C7_S191 - (45)3 1 / 3 / 1 1
448B0VSD621 33% 0.51 PF03143 C4_S140 - (0)8 1 / 6 / 4 1
449B0VMQ920 35% 0.45 PF01041 C1_S146 - (0)6 - / 1 / 5 1
450B0VS469 81% 0.61 PF04303 C4_S14 - (0)3 - / - / 1 1

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