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]
400B0VME317 45% 0.56 PF08245 C1_S136 - (19)5 - / 3 / 2 1
401B0VML622 54% 0.51 PF03702 C2_S144 - (25)5 - / 2 / 4 1
402B0VKJ520 37% 0.52 PF13193 C4_S154 - (22)5 - / 1 / 4 0
403B0VT7020 77% 0.59 PF02769 C2_S136 - (0)5 - / - / 4 1
404B0VL2822 49% 0.55 PF13840 C2_S122 - (5)5 - / 2 / 5 2
405B0VQU620 49% 0.55 PF02771 C2_S142 - (37)5 3 / 3 / - 1
406B0VNZ920 49% 0.56 PF03033 C4_S126 - (16)5 - / 3 / 2 2
407B0VMY117 48% 0.54 PF13614 C2_S142 - (0)5 - / 6 / 4 3
408B0VRE722 54% 0.48 PF01923 C7_S144 - (21)4 - / - / 3 1
409B0VQW411 68% 0.67 PF00156 C2_S137 - (31)4 - / 2 / 3 2
410B0VKS219 59% 0.56 PF04055 C4_S146 - (3)4 - / - / 13 0
411B0VUC521 45% 0.59 PF01596 C2_S140 - (28)4 - / - / 4 0
412B0VUD421 67% 0.59 PF00206 C4_S146 - (29)4 2 / 2 / 6 2
413B0VTX320 70% 0.63 PF02261 C3_S115 - (7)4 - / - / 2 0
414B0VPD520 36% 0.49 PF00106 C1_S160 - (41)4 4 / - / - 0
415B0VMF021 59% 0.50 PF00291 C3_S145 - (39)4 - / 2 / 7 2
416B0VSE720 43% 0.56 PF02852 C1_S195 - (66)4 4 / - / 1 1
417B0VNX619 27% 0.49 PF14860 C4_S116 - (0)4 - / 2 / 2 0
418B0VKB020 68% 0.70 PF00313 C1_S133 - (0)4 1 / - / - 0
419B0VNC717 34% 0.50 PF02272 C7_S111 - (0)4 2 / - / 1 1
420B0VKP922 59% 0.55 PF13603 C1_S116 - (0)4 - / 4 / 1 1
421B0VKB420 40% 0.60 PF01210 C2_S136 - (25)4 1 / - / 1 0
422B0VT8122 99% 0.65 PF00691 C4_S110 - (0)4 - / - / 3 2
423B0VL5418 47% 0.48 PF01725 C4_S118 - (15)4 - / 7 / 2 2
424B0VMQ720 34% 0.50 PF03721 C1_S131 - (0)4 - / 3 / 5 0
425B0VNE919 46% 0.54 PF01479 C6_S115 - (0)4 3 / - / 2 0
426B0VME125 45% 0.53 PF00749 C8_S120 - (17)4 - / 1 / 4 2
427B0VTZ217 59% 0.60 PF01479 C5_S112 - (0)4 - / - / 2 0
428B0VRH520 54% 0.61 PF02737 C2_S135 - (35)4 3 / 1 / - 0
429B0VTM616 64% 0.60 PF01926 C2_S131 - (0)4 7 / 2 / - 2
430B0VUC740 73% 0.53 PF00037 C4_S171 - (0)4 - / - / 40 1
431B0VML918 36% 0.62 PF00254 C3_S119 - (0)4 - / - / 2 0
432B0VPU920 53% 0.54 PF01979 C1_S115 - (5)4 - / - / 6 2
433B0VSJ020 36% 0.55 PF03099 C3_S120 - (15)4 - / - / 3 0
434B0VMB816 64% 0.59 PF03900 C3_S115 - (0)4 4 / 1 / 1 2
435B0VLQ112 46% 0.44 PF00571 C1_S147 - (0)4 - / 1 / 6 2
436B0VNU419 57% 0.61 PF03737 C6_S115 - (0)4 - / - / 3 1
437B0VKP618 65% 0.59 PF01842 7 - (0)4 - / - / - 0
438B0VTM520 43% 0.56 PF14622 C1_S130 - (0)4 - / - / 2 0
439B0VPS020 40% 0.46 PF00175 C1_S167 - (45)4 2 / - / 1 0
440B0VLE018 43% 0.53 PF00762 C3_S155 - (0)4 - / - / 2 0
441B0VME920 59% 0.58 PF03447 C3_S139 - (30)4 - / - / 2 1
442B0VMG717 42% 0.49 PF00677 C5_S125 - (25)4 - / 5 / - 1
443B0VLK217 45% 0.56 PF00753 C1_S128 - (11)4 - / - / 4 0
444B0VKT733 45% 0.64 PF01081 C1_S129 - (28)4 - / - / 8 2
445B0VRN720 42% 0.59 PF14437 C4_S142 - (5)4 - / - / 2 1
446B0VU3615 50% 0.52 PF00890 C3_S141 - (31)4 4 / - / - 2
447B0VT9220 56% 0.53 PF02769 C4_S121 - (16)4 - / - / 4 0
448B0VSK315 43% 0.29 PF01127 C1_S150 - (0)4 - / 3 / - 0
449B0VTP629 41% 0.51 PF00044 C7_S137 - (34)4 10 / 13 / - 2
450B0VV8422 52% ? PF01588 C1_S14 - (3)4 - / 1 / 2 2

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