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]
500B0VNF720 35% 0.43 PF01042 C6_S115 - (0)3 - / - / 1 0
501B0VP3912 38% 0.45 PF04262 C4_S122 - (13)3 - / - / 7 2
502B0VVA420 40% 0.54 PF00282 C1_S126 - (20)3 - / - / 3 0
503B0VLL011 38% 0.45 PF11531 C2_S16 - (0)3 - / 1 / 2 0
504B0VM6318 53% 0.49 PF08676 C2_S125 - (0)3 8 / 1 / - 2
505B0VSA810 69% 0.59 PF00730 C2_S1106 - (0)3 1 / 3 / - 0
506B0VTQ213 43% 0.48 PF00696 C1_S127 - (13)3 - / - / 3 0
507B0VPS918 51% 0.50 PF02384 C3_S126 - (5)3 - / - / 4 0
508B0VKR415 65% 0.62 PF07670 C6_S136 - (0)3 1 / 6 / - 1
509B0VU0815 43% 0.55 PF03309 C2_S124 - (18)3 - / - / 2 0
510B0VMJ816 70% 0.39 PF00230 C7_S157 - (0)3 - / - / 1 0
511B0VUD819 59% 0.57 PF12464 41 - (23)3 - / - / - 0
512B0VLQ319 52% 0.53 PF01588 C6_S18 - (0)3 - / - / 1 0
513B0VSI020 54% 0.59 PF00590 C1_S130 - (25)3 - / 8 / - 1
514B0VLC120 50% 0.48 PF01479 C7_S113 - (0)3 - / - / 1 0
515B0VMQ815 76% 0.56 PF16363 C1_S162 - (57)3 - / - / 3 0
516B0VPG920 93% 0.48 PF00905 C2_S141 - (0)3 - / - / 3 2
517B0VNB017 38% ? PF00512 C4_S139 - (37)3 - / 3 / - 0
518B0VLL617 36% 0.46 PF01568 C3_S152 - (0)3 2 / - / 3 0
519B0VM8214 36% 0.39 PF13538 C3_S119 - (17)3 - / 3 / 2 2
520B0VT5239 65% 0.59 PF00266 C1_S145 - (38)3 - / - / 36 1
521B0VQG52 45% 0.26 PF06178 17 - (0)3 - / - / - 0
522B0VQZ825 66% 0.71 PF00462 C5_S111 - (0)3 - / - / 9 0
523B0VLV513 47% 0.57 PF00588 C4_S130 - (0)3 - / - / 1 0
524B0VR4120 63% 0.64 PF04055 C3_S197 - (11)3 - / - / 6 0
525B0VMV221 100% 0.51 PF04613 C2_S153 - (20)3 - / - / 1 0
526B0VUG420 55% 0.54 PF00268 C4_S16 - (0)3 - / - / 3 0
527B0VKN824 65% 0.56 PF03144 C2_S118 - (0)3 - / 8 / 2 2
528B0VQB119 31% 0.48 PF02771 C1_S135 - (29)3 3 / - / - 0
529B0VSN516 55% 0.43 PF02737 C1_S1105 - (75)3 8 / - / 1 1
530B0VTW313 43% 0.51 PF02578 14 - (0)3 - / - / - 0
531B0VSM534 80% 0.66 PF01434 C3_S120 - (20)3 - / 12 / 5 2
532B0VM1420 67% 0.35 PF00115 C1_S157 - (0)3 2 / - / 2 0
533B0VL5011 56% 0.53 PF00682 C3_S125 - (17)3 - / - / 1 0
534B0VQZ019 53% 0.58 PF03061 23 - (16)3 - / - / - 0
535B0VRB19 47% 0.57 PF02547 C5_S17 - (0)3 - / - / 7 2
536B0VKQ820 82% 0.56 PF01926 C3_S137 - (0)3 - / 4 / - 1
537B0VUU120 48% 0.46 PF01515 C2_S111 - (7)3 - / 2 / 2 0
538B0VLN920 39% 0.49 PF00155 C1_S138 - (0)3 - / - / 3 0
539B0VS469 81% 0.61 PF04303 C4_S14 - (0)3 - / - / 1 1
540B0VUA320 35% 0.54 PF02525 C2_S1219 - (110)3 2 / - / - 0
541B0VKX614 53% 0.52 PF00724 C7_S191 - (45)3 1 / 3 / 1 1
542B0VUG319 72% 0.51 PF00317 C3_S116 - (16)3 - / 1 / 2 0
543B0VMN118 47% 0.56 PF09084 C1_S132 - (2)3 - / - / 2 1
544B0VRD720 29% 0.46 PF02771 C2_S133 - (27)3 2 / 1 / - 0
545B0VMD820 41% 0.45 PF00293 C4_S142 - (22)3 - / - / 2 0
546B0VTP220 60% 0.54 PF00271 C3_S120 - (0)3 2 / 3 / 1 0
547B0VQK319 49% 0.47 PF02774 C1_S141 - (22)3 2 / - / - 0
548B0VS5919 28% 0.52 PF00534 C1_S140 - (0)3 - / - / 3 0
549B0VU8220 45% ? PF00375 C2_S130 - (0)3 - / - / 3 0
550B0VSS732 66% 0.51 PF01852 C1_S143 - (43)3 - / 17 / 16 1

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