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]
400B0VLQ319 52% 0.53 PF01588 C6_S18 - (0)3 - / - / 1 0
401B0VLQ40 46% 0.24 PF07710 0 - (0)? - / - / - 0
402B0VLQ50 38% 0.08 PF05001 4 - (0)? - / - / - 0
403B0VLQ610 50% 0.66 PF00114 28 - (0)? - / - / - 0
404B0VLQ713 49% ? PF00482 5 - (0)? - / - / - 0
405B0VLQ816 45% 0.58 PF00271 C2_S117 - (0)1 - / - / 1 0
406B0VLQ99 33% 0.58 PF02254 C1_S121 - (0)2 - / 2 / - 0
407B0VLR011 41% 0.55 PF01430 4 - (0)1 - / - / - 0
408B0VLR11 57% 0.33 PF04669 0 - (0)? - / - / - 0
409B0VLR513 24% ? PF13411 9 - (0)? - / - / - 0
410B0VLR614 35% 0.47 PF01544 0 - (0)? - / - / - 0
411B0VLR720 62% 0.49 PF03725 10 - (0)? - / - / - 0
412B0VLR818 70% 0.68 PF00312 1 - (0)? - / - / - 0
413B0VLR918 32% 0.53 PF00144 18 - (0)? - / - / - 0
414B0VLS018 37% 0.46 PF13538 C1_S117 - (0)4 - / 2 / 2 0
415B0VLS113 39% 0.36 PF13361 11 - (0)? - / - / - 0
416B0VLS211 37% 0.38 PF13361 4 - (0)? - / - / - 0
417B0VLS31 33% ? PF01717 3 - (0)? - / - / - 0
418B0VLS422 42% 0.56 PF00485 C5_S132 - (23)4 - / - / 2 0
419B0VLS50 26% 0.19 PF04389 7 - (0)? - / - / - 0
420B0VLS615 45% 0.45 PF00891 57 - (0)? - / - / - 0
421B0VLS79 33% 0.38 PF01881 12 - (0)? - / - / - 0
422B0VLS89 26% 0.52 PF00069 18 - (3)? - / - / - 0
423B0VLT28 46% 0.50 PF01503 2 - (0)? - / - / - 0
424B0VLT39 43% 0.31 PF13361 14 - (0)? - / - / - 0
425B0VLT47 33% 0.65 PF02463 9 - (0)? - / - / - 0
426B0VLT518 35% 0.36 PF00662 2 - (0)? - / - / - 0
427B0VLT65 33% 0.41 PF02038 2 - (2)? - / - / - 0
428B0VLT715 28% 0.33 PF00361 2 - (0)? - / - / - 0
429B0VLT80 38% 0.42 PF00115 3 - (1)? - / - / - 0
430B0VLT90 29% 0.28 PF02133 2 - (0)? - / - / - 0
431B0VLU00 34% 0.40 PF14789 1 - (0)? - / - / - 0
432B0VLU110 41% 0.56 PF02033 0 - (0)? - / - / - 0
433B0VLU227 70% 0.55 PF03143 C5_S183 - (0)14 8 / 12 / 6 3
434B0VLU318 56% 0.58 PF00575 4 - (0)? - / - / - 0
435B0VLU43 31% 0.47 PF01423 3 - (0)? - / - / - 0
436B0VLU514 59% ? PF03840 3 - (0)? - / - / - 0
437B0VLU677 47% 0.62 PF00121 C7_S165 - (40)19 - / - / 33 8
438B0VLV20 35% 0.76 PF03604 0 - (0)? - / - / - 0
439B0VLV319 43% 0.64 PF01121 C2_S120 - (14)8 2 / 3 / 2 0
440B0VLV43 17% 0.28 PF02038 1 - (0)? - / - / - 0
441B0VLV513 47% 0.57 PF00588 C4_S130 - (0)3 - / - / 1 0
442B0VLV66 96% 0.56 PF07883 6 - (0)? - / - / - 0
443B0VLV712 36% 0.62 PF13181 5 - (0)? - / - / - 0
444B0VLV88 39% 0.52 PF02463 17 - (0)? - / - / - 0
445B0VLV914 99% 0.58 PF02622 0 - (0)? - / - / - 0
446B0VLW015 46% 0.60 PF03652 5 - (0)? - / - / - 0
447B0VLW113 33% 0.51 PF16576 3 - (0)? - / - / - 0
448B0VLW20 31% 0.38 PF00092 2 - (0)? - / - / - 0
449B0VLW30 28% ? PF02181 3 - (0)? - / - / - 0
450B0VLW415 26% 0.52 PF01614 2 - (0)? - / - / - 0

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