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]
100B0VLF20 20% 0.71 PF01475 6 - (0)? - / - / - 0
101B0VTT80 29% 0.71 PF02686 1 - (0)? - / - / - 0
102B0VSG09 44% 0.71 PF00684 1 - (0)? - / - / - 0
103B0VS9414 32% 0.71 PF03604 0 - (0)? - / - / - 0
104B0VQZ312 36% 0.71 PF00581 9 - (0)? - / - / - 0
105B0VSL121 71% 0.71 PF00549 C3_S123 - (17)2 - / 14 / - 1
106B0VKB020 68% 0.70 PF00313 C1_S133 - (0)4 1 / - / - 0
107B0VLM70 25% 0.70 PF11511 0 - (0)? - / - / - 0
108B0VNW92 50% 0.70 PF05569 3 - (0)? - / - / - 0
109B0VLZ715 75% 0.70 PF16320 C5_S17 - (3)2 - / 1 / 1 0
110B0VMY211 46% 0.70 PF02195 18 - (0)? - / - / - 0
111B0VQZ47 38% 0.70 PF08238 8 - (0)? - / - / - 0
112B0VUT736 64% 0.70 PF00081 19 - (0)2 - / - / - 0
113B0VMF217 37% 0.70 PF00072 14 - (0)? - / - / - 0
114B0VMB212 43% 0.70 PF13180 1 - (0)? - / - / - 0
115B0VS310 39% 0.70 PF05371 3 - (0)? - / - / - 0
116B0VMC00 32% 0.69 PF01023 6 - (0)? - / - / - 0
117B0VPY010 35% 0.69 PF12170 C1_S114 - (10)2 1 / 1 / - 0
118B0VSL919 85% 0.69 PF02142 34 - (0)0 - / - / - 0
119B0VNC215 98% 0.69 PF00534 23 - (14)0 - / - / - 0
120B0VPD913 39% 0.69 PF02728 5 - (0)? - / - / - 0
121B0VN242 54% 0.69 PF05979 3 - (0)? - / - / - 0
122B0VLP827 48% 0.69 PF12804 C2_S193 - (77)6 - / - / 8 1
123B0VKG22 39% 0.69 PF05979 3 - (0)? - / - / - 0
124B0VSR017 50% 0.69 PF13472 C1_S19 - (0)3 - / - / 5 1
125B0VTT614 25% 0.69 PF08281 3 - (0)? - / - / - 0
126B0VT760 36% 0.69 PF13801 8 - (0)? - / - / - 0
127B0VUZ511 30% 0.69 PF13181 3 - (0)? - / - / - 0
128B0VLM112 33% 0.69 PF02230 C2_S133 - (2)2 - / - / 2 1
129B0VTA613 75% 0.69 PF12804 C1_S162 - (43)8 - / 3 / 4 3
130B0VNE70 33% 0.69 PF13288 51 - (0)? - / - / - 0
131B0VQT017 68% 0.69 PF00673 0 - (0)? - / - / - 0
132B0VMZ751 58% 0.68 PF03167 C7_S185 - (0)20 3 / 12 / 23 11
133B0VSB315 47% 0.68 PF05175 9 - (9)? - / - / - 0
134B0VSM419 57% 0.68 PF01728 C1_S119 - (13)1 - / - / 1 0
135B0VU0120 64% 0.68 PF00210 33 - (0)1 - / - / - 0
136B0VPA723 66% 0.68 PF00977 C2_S145 - (4)9 - / - / 5 1
137B0VNM715 31% 0.68 PF01576 4 - (0)? - / - / - 0
138B0VQN946 61% 0.68 PF00156 C1_S1131 - (74)20 - / 3 / 33 10
139B0VQU114 79% 0.68 PF00411 1 - (0)? - / - / - 0
140B0VTY915 54% 0.68 PF01300 5 - (0)? - / - / - 0
141B0VM0912 83% 0.68 PF01084 1 - (0)? - / - / - 0
142B0VN920 36% 0.68 PF02604 0 - (0)? - / - / - 0
143B0VME539 49% 0.68 PF07670 C4_S162 - (0)13 5 / 17 / 9 7
144B0VSJ370 71% 0.68 PF04545 C6_S174 - (0)2 30 / - / 5 0
145B0VKM08 44% 0.68 PF03283 C5_S110 - (0)2 - / - / 1 0
146B0VLR818 70% 0.68 PF00312 1 - (0)? - / - / - 0
147B0VMU520 58% 0.68 PF01765 4 - (0)2 - / - / - 0
148B0VKK03 32% 0.68 PF10459 3 - (0)? - / - / - 0
149B0VP0720 59% 0.67 PF00156 C2_S148 - (34)8 - / 1 / 13 4
150B0VRF853 45% 0.67 PF00290 C1_S171 - (37)20 - / 7 / 30 16

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