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]
400B0VTP220 60% 0.54 PF00271 C3_S120 - (0)3 2 / 3 / 1 0
401B0VQC054 45% 0.67 PF00271 C4_S162 - (0)15 5 / 11 / 22 6
402B0VKB126 40% 0.61 PF00271 C2_S170 - (0)7 2 / - / 6 1
403B0VSY90 36% 0.45 PF00273 8 - (3)? - / - / - 0
404B0VTV50 27% 0.91 PF00275 9 - (0)? - / - / - 0
405B0VQG20 41% 0.30 PF00275 1 - (0)? - / - / - 0
406B0VV2423 100% 0.65 PF00275 C7_S131 - (13)8 - / 2 / 7 3
407B0VV0623 100% 0.57 PF00275 C3_S120 - (14)7 3 / 2 / 6 3
408B0VQS016 52% 0.73 PF00276 3 - (0)? - / - / - 0
409B0VT2927 63% 0.53 PF00278 C1_S131 - (27)9 - / 2 / 8 2
410B0VR420 42% -0.07 PF00278 9 - (1)? - / - / - 0
411B0VVA420 40% 0.54 PF00282 C1_S126 - (20)3 - / - / 3 0
412B0VU900 37% 0.17 PF00285 21 - (17)? - / - / - 0
413B0VRD30 27% 0.21 PF00285 1 - (0)? - / - / - 0
414B0VND527 75% 0.55 PF00285 C7_S117 - (13)6 - / 1 / 9 2
415B0VSK229 69% 0.56 PF00285 C8_S119 - (15)6 - / 3 / 7 2
416B0VRF853 45% 0.67 PF00290 C1_S171 - (37)20 - / 7 / 30 16
417B0VQK725 57% 0.47 PF00291 C2_S133 - (32)4 - / 1 / 11 1
418B0VS0623 43% 0.53 PF00291 C2_S138 - (37)6 - / 1 / 10 0
419B0VNB10 38% 0.55 PF00291 4 - (4)? - / - / - 0
420B0VMF021 59% 0.50 PF00291 C3_S145 - (39)4 - / 2 / 7 2
421B0VU3512 33% 0.45 PF00291 C8_S124 - (21)4 - / 3 / 1 0
422B0VKL523 65% 0.54 PF00291 C4_S1107 - (68)20 - / 1 / 16 1
423B0VPM964 58% 0.59 PF00291 C3_S167 - (55)16 6 / 9 / 32 8
424B0VP8358 64% 0.58 PF00291 C3_S173 - (51)15 - / 3 / 47 2
425B0VRF265 71% 0.53 PF00291 C1_S170 - (58)16 6 / 10 / 32 7
426B0VUD714 46% 0.57 PF00293 C1_S126 - (0)1 - / - / 2 1
427B0VPR517 48% 0.52 PF00293 C2_S144 - (14)6 - / - / 3 0
428B0VQC96 29% 0.34 PF00293 27 - (0)0 - / - / - 0
429B0VLB619 58% 0.57 PF00293 C1_S118 - (0)3 - / 2 / 2 1
430B0VKV320 48% 0.41 PF00293 C2_S165 - (29)6 - / 1 / 1 1
431B0VV0913 52% 0.46 PF00293 C1_S170 - (27)1 - / - / 1 0
432B0VV088 40% 0.48 PF00293 34 - (14)? - / - / - 0
433B0VMD820 41% 0.45 PF00293 C4_S142 - (22)3 - / - / 2 0
434B0VUZ410 57% 0.43 PF00293 C1_S1109 - (61)5 - / - / 3 0
435B0VN460 40% ? PF00293 8 - (0)? - / - / - 0
436B0VQD64 33% 0.55 PF00293 6 - (5)? - / - / - 0
437B0VMH69 38% 0.43 PF00293 C2_S127 - (0)1 - / - / 1 0
438B0VQL522 34% 0.52 PF00294 C1_S155 - (0)2 - / 1 / 20 1
439B0VR6520 48% 0.52 PF00296 C4_S118 - (9)2 - / 1 / 2 1
440B0VMM819 65% 0.58 PF00296 18 - (10)? - / - / - 0
441B0VNB419 36% 0.50 PF00296 24 - (11)? - / - / - 0
442B0VN150 38% 0.14 PF00296 5 - (0)? - / - / - 0
443B0VQR815 68% 0.40 PF00297 0 - (0)? - / - / - 0
444B0VNU113 19% 0.29 PF00300 9 - (6)? - / - / - 0
445B0VKB518 54% 0.57 PF00300 22 - (0)? - / - / - 0
446B0VPI418 34% 0.50 PF00300 14 - (13)? - / - / - 0
447B0VSE812 74% 0.60 PF00301 4 - (0)? - / - / - 0
448B0VL6999 63% 0.58 PF00303 C6_S1174 - (96)20 - / 22 / 42 8
449B0VMI117 39% 0.56 PF00303 C3_S143 - (33)6 - / - / 6 0
450B0VKH20 31% 0.46 PF00303 16 - (8)? - / - / - 0

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