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]
450B0VKQ344 54% 0.36 PF00005 C2_S159 - (0)11 - / - / 27 4
451B0VQK645 63% 0.54 PF06026 C4_S153 - (21)19 - / - / 26 7
452B0VKS836 61% 0.52 PF00933 C4_S143 - (23)20 - / - / 25 8
453B0VSK643 68% 0.54 PF13085 C6_S179 - (0)19 - / - / 25 0
454B0VNW229 68% 0.55 PF00266 C1_S154 - (0)10 - / - / 22 1
455B0VQN721 37% 0.60 PF00848 C2_S140 - (0)2 - / - / 21 0
456B0VTY321 58% 0.61 PF00106 C1_S161 - (0)20 - / - / 20 0
457B0VMP729 58% 0.45 PF02749 C6_S149 - (29)8 - / - / 18 3
458B0VNS626 64% 0.54 PF01274 C4_S122 - (2)20 - / - / 18 12
459B0VRJ042 100% 0.60 PF00691 C5_S142 - (0)12 - / - / 17 4
460B0VMS422 55% 0.52 PF00408 C1_S119 - (17)12 - / - / 17 7
461B0VTX835 62% 0.62 PF00926 C4_S130 - (0)8 - / - / 17 3
462B0VKK631 39% 0.53 PF12627 C5_S126 - (16)8 - / - / 16 3
463B0VUU032 38% 0.44 PF12627 C3_S120 - (16)7 - / - / 14 3
464B0VPU130 52% 0.54 PF00926 C3_S126 - (0)8 - / - / 14 3
465B0VUP120 41% 0.60 PF02445 C2_S143 - (0)11 - / - / 14 1
466B0VTE744 50% 0.62 PF00691 C7_S136 - (0)13 - / - / 13 5
467B0VPT625 99% 0.57 PF12804 C3_S171 - (37)12 - / - / 13 1
468B0VTZ524 33% 0.58 PF00155 C1_S135 - (23)12 - / - / 13 1
469B0VKS219 59% 0.56 PF04055 C4_S146 - (3)4 - / - / 13 0
470B0VPT529 60% 0.55 PF01380 C2_S116 - (14)11 - / - / 12 5
471B0VPT820 99% 0.56 PF02769 C3_S147 - (0)9 - / - / 12 5
472B0VPC222 54% 0.42 PF00475 C2_S114 - (0)12 - / - / 12 1
473B0VTM930 65% 0.64 PF03740 C6_S127 - (26)6 - / - / 12 3
474B0VTE420 33% 0.58 PF00408 C1_S119 - (17)12 - / - / 12 7
475B0VR3034 80% 0.55 PF00438 C5_S123 - (11)14 - / - / 11 5
476B0VL4212 63% 0.42 PF00037 C7_S164 - (0)2 - / - / 11 0
477B0VNC825 45% 0.50 PF01243 C1_S142 - (12)6 - / - / 11 1
478B0VRL425 70% 0.62 PF12170 C2_S136 - (0)2 - / - / 11 0
479B0VTH612 68% 0.47 PF00037 C4_S169 - (0)2 - / - / 10 0
480B0VUD921 51% 0.51 PF00768 C5_S127 - (0)16 - / - / 10 3
481B0VL0330 72% 0.60 PF13378 C1_S114 - (5)7 - / - / 10 2
482B0VUE722 64% 0.57 PF00903 C2_S136 - (0)10 - / - / 9 0
483B0VND422 78% 0.64 PF00463 C5_S129 - (22)9 - / - / 9 3
484B0VP9325 43% 0.58 PF03641 C3_S120 - (0)10 - / - / 9 3
485B0VMM222 32% 0.47 PF01687 C3_S130 - (12)4 - / - / 9 1
486B0VLJ224 82% 0.57 PF03466 C2_S115 - (0)5 - / - / 9 2
487B0VQZ825 66% 0.71 PF00462 C5_S111 - (0)3 - / - / 9 0
488B0VUX115 47% 0.35 PF14489 C8_S130 - (2)8 - / - / 9 2
489B0VS1321 61% ? PF01425 C5_S151 - (0)12 - / - / 9 2
490B0VKT733 45% 0.64 PF01081 C1_S129 - (28)4 - / - / 8 2
491B0VSL420 57% 0.56 PF00579 C4_S138 - (31)9 - / - / 8 2
492B0VQE621 70% 0.57 PF03466 C1_S114 - (0)5 - / - / 8 2
493B0VUS520 30% 0.41 PF01433 C2_S123 - (0)10 - / - / 8 0
494B0VL2320 63% 0.53 PF00962 C1_S134 - (10)6 - / - / 8 3
495B0VLP827 48% 0.69 PF12804 C2_S193 - (77)6 - / - / 8 1
496B0VPW120 60% 0.48 PF09298 C4_S113 - (9)8 - / - / 8 2
497B0VTL415 37% 0.48 PF01063 C4_S149 - (41)5 - / - / 8 2
498B0VSP623 46% ? PF01219 C8_S1127 - (0)12 - / - / 8 1
499B0VUZ620 44% 0.51 PF00905 C1_S120 - (0)10 - / - / 8 0
500B0VQJ823 46% 0.58 PF00793 C6_S118 - (18)7 - / - / 7 3

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