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]
500B0VT9621 95% 0.65 PF00378 26 - (0)1 - / - / - 0
501B0VMZ819 37% 0.57 PF00378 C2_S119 - (8)4 - / - / 2 0
502B0VS790 21% 0.32 PF00378 25 - (15)? - / - / - 0
503B0VV4920 58% 0.44 PF00378 8 - (0)2 - / - / - 0
504B0VKL720 37% 0.53 PF00378 15 - (0)? - / - / - 0
505B0VNG620 34% 0.59 PF00378 C2_S122 - (8)6 - / - / 3 0
506B0VV4414 78% 0.58 PF00380 2 - (2)? - / - / - 0
507B0VUQ22 34% 0.48 PF00381 6 - (0)? - / - / - 0
508B0VKK113 38% ? PF00381 3 - (0)? - / - / - 0
509B0VNN15 41% 1.21 PF00382 0 - (0)? - / - / - 0
510B0VL0613 46% 0.52 PF00392 45 - (0)1 - / - / - 0
511B0VNC917 48% 0.54 PF00392 52 - (0)1 - / - / - 0
512B0VUZ81 30% 0.84 PF00392 0 - (0)? - / - / - 0
513B0VRV213 51% 0.58 PF00397 52 - (0)? - / - / - 0
514B0VU311 44% 0.14 PF00398 3 - (0)? - / - / - 0
515B0VV4120 53% 0.62 PF00398 C1_S116 - (0)1 - / 1 / 2 0
516B0VRQ53 33% 0.39 PF00400 1 - (0)? - / - / - 0
517B0VMI92 23% 0.38 PF00400 2 - (0)? - / - / - 0
518B0VT8216 38% 0.55 PF00400 3 - (0)? - / - / - 0
519B0VP101 37% ? PF00400 5 - (0)? - / - / - 0
520B0VRK919 34% 0.57 PF00400 3 - (0)? - / - / - 0
521B0VQX70 42% 0.08 PF00400 6 - (0)? - / - / - 0
522B0VMI80 23% 0.38 PF00400 2 - (0)? - / - / - 0
523B0VL932 44% 0.67 PF00400 2 - (0)? - / - / - 0
524B0VLJ421 57% 0.43 PF00403 C1_S113 - (0)5 - / 4 / 2 2
525B0VLJ35 46% 0.65 PF00403 10 - (0)1 - / - / - 0
526B0VS2314 67% 0.74 PF00403 C2_S118 - (12)2 - / - / 1 1
527B0VUP515 29% 0.41 PF00403 2 - (0)? - / - / - 0
528B0VVB80 35% 0.29 PF00405 17 - (0)? - / - / - 0
529B0VP037 41% 0.41 PF00405 8 - (0)? - / - / - 0
530B0VL820 35% 0.15 PF00408 1 - (0)? - / - / - 0
531B0VTE420 33% 0.58 PF00408 C1_S119 - (17)12 - / - / 12 7
532B0VMS422 55% 0.52 PF00408 C1_S119 - (17)12 - / - / 17 7
533B0VNX920 43% 0.62 PF00408 C1_S119 - (17)3 - / - / 2 0
534B0VQT216 65% 0.64 PF00410 2 - (0)? - / - / - 0
535B0VQU114 79% 0.68 PF00411 1 - (0)? - / - / - 0
536B0VTY60 55% 0.61 PF00421 0 - (0)? - / - / - 0
537B0VR610 23% 0.10 PF00425 1 - (0)? - / - / - 0
538B0VMJ120 41% 0.40 PF00425 C1_S116 - (0)6 - / - / 5 0
539B0VV2020 39% 0.35 PF00425 16 - (0)? - / - / - 0
540B0VNK014 69% 0.53 PF00430 4 - (0)? - / - / - 0
541B0VR330 37% 0.12 PF00430 2 - (0)? - / - / - 0
542B0VS200 33% 0.20 PF00435 3 - (0)? - / - / - 0
543B0VUJ314 55% 0.50 PF00436 C2_S16 - (0)2 - / - / 2 0
544B0VN7413 65% 0.64 PF00436 C2_S111 - (0)1 - / - / 1 0
545B0VQ780 37% 0.78 PF00436 4 - (0)? - / - / - 0
546B0VUY925 46% 0.48 PF00437 C3_S114 - (13)5 - / 2 / 6 3
547B0VV7026 65% 0.55 PF00437 C4_S117 - (16)6 - / 3 / 7 4
548B0VR3034 80% 0.55 PF00438 C5_S123 - (11)14 - / - / 11 5
549B0VMP114 44% 0.64 PF00440 53 - (0)? - / - / - 0
550B0VNL113 40% 0.51 PF00440 7 - (0)? - / - / - 0

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