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]
1A5M6G4_STREE_18 17% 0.42 PF01636 C3_S10 - (0)? - / - / 2 0
2A5M7M3_STREE_18 99% 0.54 PF01636 C2_S10 - (0)? - / - / 7 2
3A6T7G5_KLEP7_18 19% 0.45 PF01636 C3_S10 - (0)? - / - / 3 0
4A6TAJ2_KLEP7_21 39% 0.55 PF01636 C3_S10 - (0)? - / - / 2 0
5A6TG64_KLEP7_20 81% 0.54 PF01636 C1_S10 - (0)? - / - / 1 0
6A6TIY6_KLEP7_22 34% 0.40 PF01636 C3_S10 - (0)? - / 3 / 7 0
7A6TJ01_KLEP7_38 100% 0.62 PF01636 C3_S10 - (0)? - / 2 / 17 4
8AACA_ENTFA_82 100% 0.42 PF01636 C2_S10 - (0)? - / 51 / 27 12
9G8LDJ7_ENTCL_7 19% 0.38 PF01636 C8_S10 - (0)? - / - / 1 0
10G8LJL9_ENTCL_21 19% 0.48 PF01636 C3_S10 - (0)? - / - / 7 0
11G8LKL0_ENTCL_20 43% 0.47 PF01636 C4_S10 - (0)? - / - / 3 1
12G8LLW6_ENTCL_19 80% 0.53 PF01636 C4_S10 - (0)? - / - / 1 0
13KHSE_PSEAE_21 39% 0.52 PF01636 C3_S10 - (0)? - / - / 6 0
14LICA1_HAEIN_19 31% 0.45 -C3_S10 - (0)? - / - / 10 1
15Q0WE80_YERPE_21 42% 0.52 PF01636 C4_S10 - (0)? - / - / 2 0
16Q2FV31_STAA8_18 31% 0.50 PF01636 0 - (0)? - / - / - 0
17Q2FXI1_STAA8_18 22% 0.27 PF01636 C3_S10 - (0)? - / - / 1 0
18Q32A29_SHIDS_20 99% 0.55 PF01636 0 - (0)? - / - / - 0
19Q32FH6_SHIDS_17 42% 0.55 PF01636 0 - (0)? - / - / - 0
20Q3XZZ9_ENTFC_18 33% 0.48 PF01636 0 - (0)? - / - / - 0
21Q3Y248_ENTFC_20 100% 0.84 PF01636 C2_S10 - (0)? - / 7 / 6 2
22Q3Y2Z0_ENTFC_18 20% 0.41 PF01636 0 - (0)? - / - / - 0
23Q5F561_NEIG1_17 39% 0.47 PF01636 0 - (0)? - / - / - 0
24Q5F650_NEIG1_10 28% 0.43 PF01636 C7_S10 - (0)? - / - / 1 0
25Q7CQN8_SALTY_17 40% 0.58 PF01636 0 - (0)? - / - / - 0
26Q836S4_ENTFA_16 16% 0.35 PF01636 0 - (0)? - / - / - 0
27Q837Y4_ENTFA_18 18% 0.35 PF01636 0 - (0)? - / - / - 0
28Q9HV96_PSEAE_9 18% 0.17 PF01636 0 - (0)? - / - / - 0
29Q9HWR2_PSEAE_18 53% 0.44 PF01636 C2_S10 - (0)? - / 1 / 4 2
30Q9I2R6_PSEAE_17 34% 0.46 PF01636 0 - (0)? - / - / - 0
31Q9I4B1_PSEAE_9 24% 0.49 PF01636 0 - (0)? - / - / - 0
32Q9I632_PSEAE_18 43% 0.49 PF01636 0 - (0)? - / - / - 0
33RDOA_SALTY_17 86% 0.54 PF01636 0 - (0)? - / - / - 0
34S3TB69_ACIBA_19 33% 0.44 PF01636 0 - (0)? - / - / - 0
35S3TE00_ACIBA_15 31% 0.45 PF01636 0 - (0)? - / - / - 0
36S3TEL8_ACIBA_19 36% 0.47 PF01636 C2_S10 - (0)? - / - / 2 1
37S3THP2_ACIBA_18 27% 0.43 PF01636 0 - (0)? - / - / - 0
38THIK_ECOLI_19 18% 0.42 PF01636 0 - (0)? - / - / - 0
39THIK_SALTY_17 20% 0.34 PF01636 C3_S10 - (0)? - / - / 1 0
40THIK_SHIDS_20 18% 0.45 PF01636 0 - (0)? - / - / - 0
41YNIA_ECOLI_19 42% 0.55 PF01636 0 - (0)? - / - / - 0

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