Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000751 (Staphylococcus - Mars 2016)

Download : Data.csv | 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]
1SA04569 100% 0.707 PF00056 8 - (0)2 - / - / - 0
2SA025411 100% 0.499 PF07702 8 - (0)? - / - / - 0
3SA097722 100% 0.574 PF05031 C12_S161 - (0)7 15 / 1 / 3 3
4SA148920 100% 0.585 PF00730 C6_S131 - (0)5 - / - / 12 1
5SA096363 100% 0.538 PF02786 C2_S157 - (24)20 2 / 19 / 21 18
6SA09613 100% 0.282 PF07408 0 - (0)? - / - / - 0
7SA173111 100% 0.588 PF00351 C5_S19 - (0)2 - / - / 3 1
8SA075420 100% 0.524 PF00583 C3_S129 - (16)? - / - / 1 0
9SA010719 100% 0.831 PF04650 1 - (0)? - / - / - 0
10SA010811 100% 0.878 PF01047 3 - (0)? - / - / - 0
11SA246820 100% 0.577 PF00475 0 - (0)? - / - / - 0
12SA110349 100% 0.596 PF01255 C8_S196 - (25)20 3 / 19 / 24 14
13SA084120 100% 0.450 PF01123 2 - (0)? - / - / - 0
14SA1841_11 100% 0.400 PF00089 2 - (0)? - / - / - 0
15SA194712 100% 0.699 PF01022 13 - (0)? - / - / - 0
16SA044120 100% 0.544 PF00543 C1_S128 - (0)2 - / 7 / - 1
17SA093420 100% 0.385 PF00381 21 - (0)? - / - / - 0
18SA192515 100% 0.648 PF00996 C2_S110 - (0)2 - / - / 3 0
19SA217420 100% 0.532 PF01047 C1_S144 - (0)4 - / - / 5 1
20SA102949 100% 0.668 PF00091 C6_S158 - (0)10 1 / 31 / 12 5
21SA20979 100% 0.550 PF03738 12 - (0)? - / - / - 0
22SA157220 100% 0.573 PF01546 C1_S110 - (1)? - / - / 1 0
23SA067420 100% 0.556 PF00884 C3_S111 - (4)3 - / - / 3 1
24SA194125 100% 0.550 PF00210 C3_S18 - (0)4 - / - / 1 0
25SA16599 100% 0.573 PF00397 34 - (0)? - / - / - 0
26SA047266 100% 0.800 PF00809 C6_S176 - (31)20 - / - / 57 25
27SA152215 100% 0.588 PF01039 2 - (0)? - / - / - 0
28SA233420 100% 0.508 PF08541 C4_S121 - (13)5 - / - / 3 3
29SA089320 100% 0.584 PF00583 59 - (36)? - / - / - 0
30SA125970 100% 0.632 PF00186 C6_S1163 - (83)20 65 / 7 / 9 10
31SA107118 100% 0.493 PF03061 C1_S113 - (0)2 - / 1 / 2 1
32SA145723 100% 0.566 PF03129 C2_S124 - (8)3 - / 1 / 7 2
33SA145315 100% 0.631 PF02082 C3_S15 - (0)? - / - / 1 0
34SA231725 100% 0.599 PF00583 C1_S132 - (0)7 2 / - / 5 2
35SA011120 100% 0.606 PF01497 C1_S139 - (0)1 - / 1 / 1 1
36SA004016 100% 0.556 PF03965 C3_S116 - (0)2 - / - / 4 0
37SA130932 100% 0.575 PF02224 C1_S134 - (31)12 1 / 13 / 10 6
38SA102820 100% 0.578 PF02491 17 - (0)? - / - / - 0
39SA066110 100% 0.610 PF00486 15 - (0)? - / - / - 0
40SA235518 100% 0.598 PF00583 48 - (16)1 - / - / - 0
41SA057311 100% 0.651 PF01047 7 - (0)? - / - / - 0
42SA171418 100% 0.473 PF00781 C4_S123 - (18)? - / 1 / - 0
43SA031019 100% 0.629 PF07859 39 - (1)? - / - / - 0
44SA187315 100% 0.646 PF02452 C2_S12 - (0)? 1 / - / - 0
45SA097368 100% 0.577 PF01467 C2_S1112 - (89)20 - / 24 / 38 10
46SA14239 100% 0.564 PF01985 5 - (0)? - / - / - 0
47SA059715 100% 0.581 PF01467 C2_S156 - (39)4 - / 8 / 1 2
48SA184312 100% 0.603 PF00183 14 - (8)1 - / - / - 0
49SA084239 100% 0.545 PF08541 C2_S152 - (30)13 - / 5 / 12 2
50SA059820 100% 0.480 PF00768 C3_S140 - (0)7 - / - / 2 1

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