Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
APH2 (2019 - bacterial pathogens - focused screen of APH enzymes from selected human pathogens)

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]
1AACA_ENTFA_82 100% 0.42 PF01636 72.40 - (0)? - / 51 / 27 12
2A6TJ01_KLEP7_38 100% 0.62 PF01636 65.50 - (0)? - / 2 / 17 4
3Q9HWR2_PSEAE_18 53% 0.44 PF01636 77.00 - (0)? - / 1 / 4 2
4A5M7M3_STREE_18 99% 0.54 PF01636 65.40 - (0)? - / - / 7 2
5Q3Y248_ENTFC_20 100% 0.84 PF01636 97.30 - (0)? - / 7 / 6 2
6S3TEL8_ACIBA_19 36% 0.47 PF01636 100.00 - (0)? - / - / 2 1
7LICA1_HAEIN_19 31% 0.45 -50.00 - (0)? - / - / 10 1
8G8LKL0_ENTCL_20 43% 0.47 PF01636 100.00 - (0)? - / - / 3 1
9A5M6G4_STREE_18 17% 0.42 PF01636 -0 - (0)? - / - / 2 0
10Q9I632_PSEAE_18 43% 0.49 PF01636 -0 - (0)? - / - / - 0
11Q837Y4_ENTFA_18 18% 0.35 PF01636 -0 - (0)? - / - / - 0
12Q32FH6_SHIDS_17 42% 0.55 PF01636 -0 - (0)? - / - / - 0
13A6TAJ2_KLEP7_21 39% 0.55 PF01636 -0 - (0)? - / - / 2 0
14Q836S4_ENTFA_16 16% 0.35 PF01636 -0 - (0)? - / - / - 0
15Q7CQN8_SALTY_17 40% 0.58 PF01636 -0 - (0)? - / - / - 0
16THIK_ECOLI_19 18% 0.42 PF01636 -0 - (0)? - / - / - 0
17Q9HV96_PSEAE_9 18% 0.17 PF01636 -0 - (0)? - / - / - 0
18Q32A29_SHIDS_20 99% 0.55 PF01636 -0 - (0)? - / - / - 0
19THIK_SALTY_17 20% 0.34 PF01636 -0 - (0)? - / - / 1 0
20Q9I2R6_PSEAE_17 34% 0.46 PF01636 -0 - (0)? - / - / - 0
21Q2FV31_STAA8_18 31% 0.50 PF01636 -0 - (0)? - / - / - 0
22S3TE00_ACIBA_15 31% 0.45 PF01636 -0 - (0)? - / - / - 0
23Q9I4B1_PSEAE_9 24% 0.49 PF01636 -0 - (0)? - / - / - 0
24G8LJL9_ENTCL_21 19% 0.48 PF01636 -0 - (0)? - / - / 7 0
25KHSE_PSEAE_21 39% 0.52 PF01636 -0 - (0)? - / - / 6 0
26Q5F561_NEIG1_17 39% 0.47 PF01636 -0 - (0)? - / - / - 0
27Q3XZZ9_ENTFC_18 33% 0.48 PF01636 -0 - (0)? - / - / - 0
28THIK_SHIDS_20 18% 0.45 PF01636 -0 - (0)? - / - / - 0
29YNIA_ECOLI_19 42% 0.55 PF01636 -0 - (0)? - / - / - 0
30G8LDJ7_ENTCL_7 19% 0.38 PF01636 -0 - (0)? - / - / 1 0
31Q5F650_NEIG1_10 28% 0.43 PF01636 -0 - (0)? - / - / 1 0
32S3TB69_ACIBA_19 33% 0.44 PF01636 -0 - (0)? - / - / - 0
33S3THP2_ACIBA_18 27% 0.43 PF01636 -0 - (0)? - / - / - 0
34Q2FXI1_STAA8_18 22% 0.27 PF01636 -0 - (0)? - / - / 1 0
35Q3Y2Z0_ENTFC_18 20% 0.41 PF01636 -0 - (0)? - / - / - 0
36A6TG64_KLEP7_20 81% 0.54 PF01636 -0 - (0)? - / - / 1 0
37A6T7G5_KLEP7_18 19% 0.45 PF01636 -0 - (0)? - / - / 3 0
38RDOA_SALTY_17 86% 0.54 PF01636 -0 - (0)? - / - / - 0
39G8LLW6_ENTCL_19 80% 0.53 PF01636 -0 - (0)? - / - / 1 0
40Q0WE80_YERPE_21 42% 0.52 PF01636 -0 - (0)? - / - / 2 0
41A6TIY6_KLEP7_22 34% 0.40 PF01636 -0 - (0)? - / 3 / 7 0

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