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]
400B0VTP314 38% 0.50 PF00061 C1_S139 - (0)1 - / - / 1 0
401B0VUA927 40% 0.51 PF02776 C7_S139 - (19)5 - / 8 / 1 2
402B0VMQ014 29% 0.38 PF03023 39 - (0)? - / - / - 0
403B0VR8412 47% 0.36 PF12833 39 - (0)? - / - / - 0
404B0VSH923 55% 0.50 PF00587 C2_S139 - (38)9 - / 6 / 6 2
405B0VN6820 46% 0.44 PF00155 38 - (0)? - / - / - 0
406B0VSL420 57% 0.56 PF00579 C4_S138 - (31)9 - / - / 8 2
407B0VS8817 31% 0.44 PF00583 38 - (22)? - / - / - 0
408B0VP4923 35% ? PF00512 C4_S138 - (35)10 3 / 12 / 1 4
409B0VTH313 35% 0.48 PF00175 38 - (32)0 - / - / - 0
410B0VQJ77 32% 0.48 PF00561 38 - (23)? - / - / - 0
411B0VMD60 25% -0.01 -38 - (0)? - / - / - 0
412B0VS0623 43% 0.53 PF00291 C2_S138 - (37)6 - / 1 / 10 0
413B0VPZ220 28% 0.47 PF00155 38 - (0)? - / - / - 0
414B0VPN835 55% 0.54 PF00158 C5_S138 - (0)10 - / 7 / 12 5
415B0VSN316 30% 0.27 PF00083 38 - (0)? - / - / - 0
416B0VLN920 39% 0.49 PF00155 C1_S138 - (0)3 - / - / 3 0
417B0VPP018 21% 0.38 PF07992 38 - (0)? - / - / - 0
418B0VMG919 98% 0.56 PF01872 C3_S138 - (0)2 - / - / 2 0
419B0VM8120 56% 0.57 PF00465 C4_S138 - (33)5 - / 6 / - 2
420B0VLX421 63% 0.57 PF02737 C2_S138 - (36)7 4 / 1 / 3 1
421B0VKU613 62% 0.52 PF00254 37 - (0)? - / - / - 0
422B0VKQ820 82% 0.56 PF01926 C3_S137 - (0)3 - / 4 / - 1
423B0VML722 46% 0.55 PF00579 C2_S137 - (32)10 - / 3 / 7 0
424B0VSG116 44% 0.49 PF03848 37 - (25)? - / - / - 0
425B0VQ4921 68% 0.58 PF01042 C4_S137 - (0)8 - / - / 1 0
426B0VSI820 35% 0.59 PF00465 C5_S137 - (32)6 1 / 2 / - 0
427B0VTB328 43% 0.50 PF01019 C2_S137 - (0)10 - / - / 2 0
428B0VRM331 53% 0.53 PF00923 C5_S137 - (0)12 - / 3 / 15 4
429B0VTP629 41% 0.51 PF00044 C7_S137 - (34)4 10 / 13 / - 2
430B0VMK134 48% 0.47 PF02768 C4_S137 - (0)20 - / 1 / 26 7
431B0VQW411 68% 0.67 PF00156 C2_S137 - (31)4 - / 2 / 3 2
432B0VN0426 57% 0.67 PF00215 C2_S137 - (29)10 - / 13 / 5 3
433B0VP8414 34% 0.49 PF01464 C2_S137 - (0)1 - / - / 1 0
434B0VMU132 56% 0.60 PF00158 C5_S136 - (0)11 - / 11 / 13 5
435B0VUF417 31% 0.47 PF04055 36 - (2)? - / - / - 0
436B0VP6126 37% 0.59 PF01177 C2_S136 - (26)8 - / 1 / 10 3
437B0VT7020 77% 0.59 PF02769 C2_S136 - (0)5 - / - / 4 1
438B0VUE222 46% 0.50 PF01975 C5_S136 - (27)10 - / - / 6 2
439B0VKR415 65% 0.62 PF07670 C6_S136 - (0)3 1 / 6 / - 1
440B0VKB420 40% 0.60 PF01210 C2_S136 - (25)4 1 / - / 1 0
441B0VV5020 36% 0.48 PF02771 36 - (32)? - / - / - 0
442B0VMR715 40% ? PF00534 36 - (18)? - / - / - 0
443B0VSG30 41% ? PF09281 36 - (0)? - / - / - 0
444B0VTE744 50% 0.62 PF00691 C7_S136 - (0)13 - / - / 13 5
445B0VRL425 70% 0.62 PF12170 C2_S136 - (0)2 - / - / 11 0
446B0VQX523 77% 0.61 PF00056 C3_S136 - (26)11 7 / 11 / 2 4
447B0VUE722 64% 0.57 PF00903 C2_S136 - (0)10 - / - / 9 0
448B0VLI418 34% 0.61 PF01596 C1_S136 - (27)2 - / - / 2 0
449B0VQD519 65% 0.56 PF03070 C2_S136 - (10)5 - / 8 / 5 2
450B0VME317 45% 0.56 PF08245 C1_S136 - (19)5 - / 3 / 2 1

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