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]
300B0VMN618 55% 0.61 PF00106 C1_S167 - (36)5 3 / - / 4 1
301B0VS2314 67% 0.74 PF00403 C2_S118 - (12)2 - / - / 1 1
302B0VPM74 32% 0.60 PF00004 C4_S112 - (0)1 - / 1 / - 1
303B0VSR017 50% 0.69 PF13472 C1_S19 - (0)3 - / - / 5 1
304B0VLC218 64% 0.56 PF00575 C2_S111 - (0)2 2 / 1 / 6 1
305B0VL3719 49% 0.55 PF00248 C4_S127 - (0)2 3 / - / - 1
306B0VLM112 33% 0.69 PF02230 C2_S133 - (2)2 - / - / 2 1
307B0VM3216 63% 0.46 PF01613 C3_S174 - (0)2 2 / - / 1 1
308B0VSN516 55% 0.43 PF02737 C1_S1105 - (75)3 8 / - / 1 1
309B0VQX37 41% 0.41 PF01464 C4_S117 - (0)4 - / - / 3 1
310B0VPV219 90% 0.63 PF01175 C5_S121 - (21)2 9 / - / - 1
311B0VRT120 40% 0.61 PF01126 C6_S126 - (0)4 3 / - / - 1
312B0VU2219 78% 0.60 PF00692 C3_S127 - (18)2 - / - / 4 1
313B0VMX810 32% 0.46 PF01636 C1_S131 - (4)1 - / - / 1 1
314B0VSA315 47% 0.65 PF02590 C2_S111 - (0)2 - / 2 / - 1
315B0VP5630 64% 0.47 PF06628 C8_S117 - (4)4 10 / - / 2 1
316B0VT5239 65% 0.59 PF00266 C1_S145 - (38)3 - / - / 36 1
317B0VU9120 36% 0.57 PF02581 C3_S154 - (42)6 - / - / 7 1
318B0VTM314 44% 0.41 PF10502 C8_S119 - (0)4 - / 3 / 3 1
319B0VR2822 70% 0.61 PF00456 C1_S19 - (0)2 - / - / 2 1
320B0VUU440 41% 0.65 PF02219 C11_S171 - (59)6 28 / 2 / 3 1
321B0VTQ620 46% 0.62 PF01180 C3_S182 - (43)2 5 / 5 / - 1
322B0VSI020 54% 0.59 PF00590 C1_S130 - (25)3 - / 8 / - 1
323B0VTN017 50% 0.56 PF09968 C3_S19 - (0)2 - / - / 2 1
324B0VMQ920 35% 0.45 PF01041 C1_S146 - (0)6 - / 1 / 5 1
325B0VUX321 37% 0.45 PF00005 C1_S123 - (0)8 - / 4 / 4 1
326B0VQK119 55% 0.63 PF02617 C1_S19 - (0)5 - / - / 5 1
327B0VTF514 60% 0.61 PF01580 C3_S112 - (0)2 - / 3 / - 1
328B0VV7486 56% 0.52 PF00476 C3_S1298 - (176)20 45 / 36 / 11 1
329B0VQU620 49% 0.55 PF02771 C2_S142 - (37)5 3 / 3 / - 1
330B0VR2216 51% 0.50 PF05958 C1_S124 - (0)3 3 / - / 1 1
331B0VQQ318 43% 0.43 PF02551 C6_S15 - (0)1 - / - / 1 1
332B0VTZ524 33% 0.58 PF00155 C1_S135 - (23)12 - / - / 13 1
333B0VND120 57% 0.54 PF01565 C1_S132 - (23)2 4 / - / - 1
334B0VNV712 61% 0.51 PF00111 C10_S195 - (0)2 - / - / 4 1
335B0VL3029 48% 0.52 PF00044 C4_S126 - (22)2 5 / 13 / - 1
336B0VT648 99% 0.55 PF03279 C3_S125 - (7)2 - / - / 5 1
337B0VT7020 77% 0.59 PF02769 C2_S136 - (0)5 - / - / 4 1
338B0VMM517 44% 0.67 PF00440 C1_S142 - (0)2 - / - / 1 1
339B0VTC820 49% 0.60 PF01168 C2_S129 - (18)3 - / - / 5 1
340B0VNC717 34% 0.50 PF02272 C7_S111 - (0)4 2 / - / 1 1
341B0VKV719 54% 0.53 PF00929 C1_S128 - (18)6 - / - / 6 1
342B0VUD616 77% 0.50 PF00764 C2_S119 - (9)2 - / - / 2 1
343B0VUT011 65% 0.57 PF03951 C2_S129 - (29)1 - / - / 1 1
344B0VQG921 81% 0.54 PF00775 C6_S125 - (0)1 - / - / 1 1
345B0VMM222 32% 0.47 PF01687 C3_S130 - (12)4 - / - / 9 1
346B0VS1820 45% 0.58 PF02545 C5_S18 - (3)2 - / - / 2 1
347B0VQ8720 60% 0.57 PF00171 C3_S128 - (0)8 - / 9 / 2 1
348B0VVG922 51% 0.49 PF06628 C8_S16 - (1)2 2 / - / - 1
349B0VSR220 99% 0.64 PF00561 C1_S133 - (12)1 2 / - / - 1
350B0VT2618 43% 0.55 PF08423 C1_S16 - (0)2 - / 2 / 3 1

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