Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
BDB (Jul 2014)

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
Screening
(Multi Mol2 user file : ALL)




Sort by entries

[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number] Nb
R (BestAtome)
50PF00069_CDK4_HUMAN17 100% 0.499 PF00069 C1_S129 - (7)18 - / 7 / 9 12 89 -0.03
51PF13193_ENTE_ECOLI9 100% 0.558 PF00550 C1_S120 - (0)9 1 / 6 / 6 6--
52PF00275_AROA_ECO5519 100% 0.814 PF00275 C2_S156 - (27)14 3 / 9 / 16 8--
53PF00491_ARGI1_HUMAN50 100% 0.795 PF00491 C10_S150 - (22)20 - / - / 26 10--
54PF00068_PA21B_PIG50 100% 0.399 PF00068 C6_S196 - (0)20 - / 10 / 28 15--
55PF12549_TY3H_RAT12 100% 0.565 PF00351 C1_S117 - (13)12 - / - / 16 7--
56PF01433_ERAP2_HUMAN10 100% 0.401 PF01433 C2_S133 - (0)10 - / - / 11 8--
57PF00074_RNAS1_BISBI29 100% 0.433 PF00074 C9_S139 - (0)20 - / 1 / 24 9 5 0.19
58PF00850_HDAC4_HUMAN19 100% 0.202 PF00850 C2_S126 - (0)16 - / 8 / 12 10--
59PF00337_LEG4_HUMAN16 100% 0.507 PF00337 C6_S136 - (0)11 - / - / 18 6--
60PF00105_RARA_HUMAN24 100% 0.273 PF00105 C2_S172 - (0)19 15 / 9 / 14 12--
61PF00105_ANDR_HUMAN65 100% 0.208 PF00105 C2_S1122 - (0)20 3 / 67 / 22 22--
62PF00069_KAPCA_BOVIN66 100% 0.761 PF00069 C1_S1144 - (9)20 17 / 54 / 48 38 1 -
63PF00194_CAH1_HUMAN35 100% 0.838 PF00194 C2_S155 - (3)20 - / - / 26 13--
64PF08127_CATB_BOVIN26 100% 0.429 PF08127 C1_S142 - (0)20 - / - / 26 11--
65PF08123_DOT1L_HUMAN12 100% 0.227 PF08123 C2_S113 - (0)12 6 / 5 / 2 10--
66PF00105_NR1H3_HUMAN32 100% 0.455 PF00105 C6_S162 - (0)20 15 / 11 / 7 11--
67PF01712_DGUOK_HUMAN21 100% 0.388 PF01712 C4_S167 - (54)15 3 / 18 / 21 15--
68PF08715_R1AB_CVHSA41 100% 0.514 PF08715 C1_S147 - (0)20 1 / 19 / 19 13--
69PF02196_RAF1_HUMAN54 100% 0.172 PF02196 C2_S172 - (5)20 18 / 32 / 4 22--
70PF00069_M3K5_HUMAN17 100% 0.128 PF00069 C1_S143 - (9)19 4 / 8 / 8 12 6 0.22
71PF00693_KITH_HHV1122 100% 0.491 PF00693 C4_S147 - (41)18 1 / 4 / 21 10--
72PF00348_FPPS_HUMAN38 100% 0.485 PF00348 C1_S154 - (8)20 - / 7 / 36 16--
73PF00144_AMPC_ENTCL9 100% 0.761 PF00144 C2_S124 - (0)10 - / - / 9 6--
74PF00069_WEE1_HUMAN8 100% 0.225 PF00069 C1_S136 - (9)14 3 / 4 / 6 10 18 0.09
75PF02786_ACCC_ECOLI25 100% 0.869 PF02786 C1_S133 - (17)19 2 / 14 / 12 12--
76PF00105_PPARA_HUMAN30 100% 0.496 PF00105 C5_S166 - (0)20 12 / 7 / 12 14--
77PF07647_EPHA7_HUMAN29 100% 0.182 PF00536 C2_S130 - (10)20 - / 8 / 20 15--
78PF00069_AUKBA_XENLA30 100% 0.385 PF00069 C1_S153 - (11)20 3 / 20 / 8 20--
79PF00105_RARB_MOUSE25 100% 0.262 PF00105 C2_S175 - (0)19 16 / 9 / 12 12--
80PF00069_MK14_HUMAN51 100% 0.777 PF00069 C1_S169 - (5)20 13 / 25 / 16 41 271 0.12
81PF00557_MAP1_ECOL645 100% 0.803 PF00557 C1_S150 - (0)20 - / 2 / 41 26--
82PF01048_MTNN_STAA219 100% 0.618 PF01048 C1_S141 - (23)17 - / 8 / 10 8--
83PF00337_LEG1_HUMAN30 100% 0.631 PF00337 C8_S143 - (0)13 - / - / 24 6--
84PF01596_COMT_RAT19 100% 0.452 PF01596 C1_S140 - (14)17 8 / 5 / 6 15--
85PF00248_AK1C2_HUMAN69 100% 0.824 PF00248 C6_S1154 - (106)20 65 / 9 / 35 28--
86PF02868_ELAS_PSEAE16 100% 0.451 PF02868 C1_S124 - (0)14 - / 8 / 11 10--
87PF00069_AVR2A_HUMAN19 100% 0.302 PF08515 C1_S133 - (0)17 1 / 15 / 4 12 7 0.36
88PF00515_FKBP5_HUMAN20 100% 0.304 PF00515 C1_S125 - (0)17 - / 17 / 2 11--
89PF08515_TGFR1_HUMAN16 100% 0.350 PF08515 C1_S121 - (0)19 1 / 12 / 3 13--
90PF00105_THB_HUMAN15 100% 0.302 PF00105 C2_S140 - (0)9 5 / 10 / - 6--
91PF00440_ETHR_MYCTU18 100% 0.552 PF00440 C1_S138 - (0)17 8 / 11 / - 14--
92PF00194_CAH14_HUMAN25 100% 0.375 PF00194 C3_S140 - (8)20 - / - / 16 11--
93PF00105_NR1H2_HUMAN32 100% 0.536 PF00105 C6_S159 - (0)20 16 / 10 / 7 12--
94PF00351_PH4H_RAT14 100% 0.609 PF00351 C1_S120 - (16)12 - / - / 17 7--
95PF00069_CSK2A_MAIZE60 100% 0.764 PF00069 C1_S1109 - (13)20 1 / 29 / 28 33 20 0.82
96PF00135_ACES_TORCA42 100% 0.717 PF00135 C1_S175 - (1)20 8 / 10 / 11 17--
97PF00090_ATS1_HUMAN12 100% 0.153 PF01421 C2_S129 - (0)11 - / 12 / 3 9--
98PF00105_ESR2_RAT62 100% 0.268 PF00105 C4_S1129 - (0)20 4 / 51 / 42 28--
99PF00433_KS6B1_HUMAN25 100% 0.354 PF00433 C1_S147 - (11)19 1 / 25 / 2 11--
100PF00069_PIM1_HUMAN49 100% 0.392 PF00069 C1_S1102 - (10)20 - / 27 / 38 41 178 -0.11

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