Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
MS2MDL_PROTEASOME (2020 - Homo sapiens - Human Proteases)

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]
1KSYK_HUMAN21 100% 0.45 PF00017 C2_S121 - (4)20 3 / 16 / 2 18
2JAK3_HUMAN22 100% 0.14 PF07714 C1_S122 - (0)20 - / 12 / 9 18
3MTAP_HUMAN20 100% 0.60 PF01048 C4_S118 - (5)16 - / 14 / 4 14
4CSK_HUMAN25 100% 0.56 PF00018 C1_S123 - (4)20 7 / 7 / 7 10
5PNPH_HUMAN28 100% 0.83 PF01048 C4_S124 - (9)20 - / - / 19 9
6HINT2_HUMAN21 100% 0.46 PF01230 C4_S121 - (0)15 - / 7 / 8 8
7SIR3_HUMAN30 100% 0.36 PF02146 C5_S127 - (0)17 8 / 2 / 5 8
8DNPH1_HUMAN20 100% 0.55 PF05014 C2_S112 - (0)10 3 / 6 / 2 7
9ENOB_HUMAN30 99% 0.59 PF03952 C4_S120 - (14)11 - / - / 18 7
10ENOG_HUMAN27 100% 0.61 PF03952 C3_S118 - (13)11 - / - / 17 7
11BCL2_HUMAN21 100% 0.36 PF02180 C2_S114 - (0)12 9 / 5 / 1 7
12TPIS_HUMAN29 100% 0.70 PF00121 C2_S112 - (7)11 - / - / 9 6
13CATG_HUMAN25 100% 0.67 PF00089 C2_S110 - (0)7 4 / 1 / 2 5
14PI42A_HUMAN20 98% 0.42 PF01504 C5_S114 - (14)8 - / 1 / 13 5
15ACADV_HUMAN24 100% 0.49 PF02771 C7_S130 - (22)6 4 / 11 / 1 5
16PANK4_HUMAN20 38% 0.17 PF03630 C1_S121 - (12)10 - / 7 / 2 4
17PGAM1_HUMAN29 100% 0.62 PF00300 C1_S118 - (14)13 - / 1 / 13 4
18DCK_HUMAN21 100% 0.72 PF01712 C5_S142 - (40)11 - / 16 / 5 3
19SYNM_HUMAN20 35% 0.45 PF01336 C4_S112 - (9)7 - / 7 / - 3
20DECR2_HUMAN20 100% 0.47 -C3_S124 - (22)5 2 / 4 / 3 3
21IDI1_HUMAN12 100% 0.44 PF00293 C2_S115 - (14)5 - / - / 7 3
22PSA_HUMAN21 34% 0.42 PF01433 C4_S19 - (0)9 - / - / 9 3
23MYH9_HUMAN28 85% 0.19 PF01576 C2_S115 - (0)4 - / 11 / 2 3
24EHD4_HUMAN12 97% 0.51 PF16880 C3_S110 - (0)4 - / 7 / - 3
25ARL2_HUMAN31 100% 0.54 PF00025 C2_S121 - (0)9 3 / 11 / 2 3
26NUDT4_HUMAN17 100% 0.45 PF00293 C1_S112 - (3)4 - / - / 5 2
27NAA40_HUMAN17 100% 0.43 PF00583 C2_S120 - (10)2 4 / - / - 2
28NNRE_HUMAN18 91% 0.53 PF03853 C2_S19 - (4)5 - / 1 / 3 2
29PRS7_HUMAN23 100% 0.36 PF00004 C1_S13 - (3)3 - / 2 / 1 2
30PRS6B_HUMAN22 100% 0.46 PF16450 C2_S12 - (2)3 - / 2 / - 2
31MAOM_HUMAN28 100% 0.75 PF03949 C7_S110 - (10)5 4 / 2 / - 2
32PRS10_HUMAN23 100% 0.53 PF16450 C2_S13 - (3)3 - / 2 / 1 2
33TKT_HUMAN20 100% 0.55 PF00456 C3_S114 - (0)5 - / 8 / - 2
34PRS4_HUMAN22 100% 0.42 PF16450 C1_S12 - (2)3 - / 1 / 1 2
35BDH2_HUMAN20 100% 0.52 -C4_S115 - (12)1 2 / - / - 1
36ADT2_HUMAN15 90% 0.19 PF00153 C8_S128 - (0)2 - / 4 / 7 1
37GMDS_HUMAN21 100% 0.44 PF16363 C1_S17 - (7)3 4 / 2 / - 1
38CPSF5_HUMAN12 100% 0.38 PF13869 C4_S16 - (0)3 - / - / 5 1
39LAT1_HUMAN14 100% 0.37 PF13520 C1_S117 - (0)2 - / 3 / - 1
40PRS8_HUMAN21 100% 0.55 PF16450 C3_S11 - (1)2 - / 1 / - 1
41PDCD6_HUMAN20 100% 0.55 PF13499 C1_S17 - (0)3 - / - / 1 1
42UBB_HUMAN20 100% 0.61 PF00240 C2_S11 - (0)1 - / - / 1 1
43DHX30_HUMAN26 42% 0.32 PF07717 C2_S110 - (0)2 - / 8 / - 1
44PRS6A_HUMAN21 100% 0.52 PF16450 C2_S11 - (1)2 - / 1 / - 1
45GSTP1_HUMAN23 100% 0.77 PF02798 C1_S121 - (0)2 - / - / 11 1
46HS2ST_HUMAN18 96% 0.43 PF00685 C3_S115 - (12)2 - / 2 / 1 1
47DHX36_HUMAN26 95% 0.41 PF07717 C3_S19 - (0)2 - / 8 / - 1
48THIK_HUMAN22 100% 0.49 PF00108 C4_S17 - (2)5 - / 2 / - 1
49RFA3_HUMAN13 100% 0.66 PF08661 C5_S13 - (0)3 - / - / 1 1
50DLDH_HUMAN31 100% 0.57 PF02852 C4_S122 - (22)2 20 / - / - 1

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