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)
150PF04095_NAMPT_HUMAN42 100% 0.537 PF04095 C1_S196 - (8)20 - / - / 15 8--
151PF13733_B4GT1_BOVIN58 100% 0.597 PF13733 C1_S1139 - (88)20 - / 23 / 69 12--
152PF00348_GGPPS_YEAST44 100% 0.422 PF00348 C1_S166 - (26)20 2 / 19 / 26 19--
153PF00105_PPARD_HUMAN33 100% 0.492 PF00105 C4_S145 - (0)20 12 / 20 / 1 17--
154PF00102_PTN2_HUMAN17 100% 0.351 PF00102 C1_S121 - (0)16 - / 13 / 4 14--
155PF00089_THRB_BOVIN45 100% 0.371 PF00089 C4_S187 - (0)20 14 / 40 / 13 13--
156PF00595_NOS1_RAT65 100% 0.140 PF00595 C4_S1205 - (8)9 65 / - / 51 29--
157PF00397_PIN1_HUMAN36 100% 0.566 PF00397 C4_S143 - (0)20 - / 14 / 17 25--
158PF00069_CHK2_HUMAN31 100% 0.547 PF00069 C1_S141 - (9)20 1 / 14 / 15 26 19 0.10
159PF00098_POL_HV1H258 100% 0.313 PF00098 C6_S166 - (0)20 28 / 28 / 3 38--
160PF00850_HDAC4_HUMAN19 100% 0.202 PF00850 C2_S126 - (0)16 - / 8 / 12 10--
161PF07952_BXA1_CLOBO21 100% 0.426 PF07952 C1_S124 - (0)9 1 / 8 / 12 7--
162PF00061_RABP1_MOUSE34 100% 0.578 PF00061 C7_S146 - (0)20 - / 11 / 21 12 5 0.73
163PF00615_ARBK1_HUMAN18 100% 0.476 PF00615 C1_S133 - (15)17 - / 8 / 11 8--
164PF00089_TPA_HUMAN23 100% 0.254 PF00089 C1_S135 - (0)20 - / 3 / 18 17--
165PF00105_RARB_HUMAN25 100% 0.276 PF00105 C2_S171 - (0)19 16 / 10 / 13 12--
166PF00557_MAP11_HUMAN19 100% 0.447 PF00557 C1_S127 - (1)19 - / 9 / 8 14--
167PF01652_IF4E_HUMAN23 100% 0.748 PF01652 C8_S131 - (0)13 - / 23 / - 9--
168PF00248_AK1C2_HUMAN69 100% 0.824 PF00248 C6_S1154 - (106)20 65 / 9 / 35 28--
169PF00069_MK07_HUMAN14 100% 0.250 PF00069 C1_S120 - (7)12 - / 7 / 7 8 7 0.12
170PF00069_TBK1_MOUSE14 100% 0.432 PF00069 C1_S139 - (8)12 2 / 9 / 3 7--
171PF00089_FA10_HUMAN41 100% 0.389 PF00089 C3_S149 - (0)20 6 / 29 / 4 31--
172PF00186_DYR_STAAM50 100% 0.624 PF00186 C5_S1126 - (64)20 47 / 24 / 26 24--
173PF01471_MMP7_HUMAN15 100% 0.845 PF01471 C1_S126 - (0)15 2 / 8 / 6 10--
174PF01327_DEF_STRR612 100% 0.476 PF01327 C2_S130 - (3)12 - / 4 / 9 7--
175PF07714_JAK3_HUMAN17 100% 0.134 PF00017 C1_S117 - (0)17 1 / 11 / 5 16--
176PF00105_ESR2_RAT62 100% 0.268 PF00105 C4_S1129 - (0)20 4 / 51 / 42 28--
177PF00144_AMPC_ECOLI53 100% 0.739 PF00144 C1_S173 - (1)20 - / 1 / 43 20--
178PF00017_ZAP70_HUMAN24 100% 0.548 PF00017 C1_S137 - (11)18 7 / 12 / 7 16 31 0.17
179PF00303_DRTS_TRYCR15 100% 0.540 PF00303 C6_S127 - (15)11 - / 3 / 16 7--
180PF00106_DHI1_HUMAN61 100% 0.477 PF00106 C1_S1141 - (84)8 63 / 30 / 8 13--
181PF00105_ESR2_HUMAN61 100% 0.274 PF00105 C4_S199 - (0)20 4 / 47 / 12 29--
182PF00433_KS6A5_HUMAN27 100% 0.212 PF00433 C1_S138 - (8)18 1 / 20 / 6 10--
183PF07647_EPHA7_HUMAN29 100% 0.182 PF00536 C2_S130 - (10)20 - / 8 / 20 15--
184PF05649_NEP_HUMAN8 100% 0.465 PF05649 C2_S110 - (0)9 - / 4 / 5 8--
185PF00069_ST17B_HUMAN15 100% 0.398 PF00069 C1_S131 - (12)15 - / 4 / 10 7 9 0.11
186PF08127_CATB_BOVIN26 100% 0.429 PF08127 C1_S142 - (0)20 - / - / 26 11--
187PF00194_CAH2_HUMAN68 100% 0.873 PF00194 C6_S198 - (4)20 - / 5 / 57 42--
188PF08715_R1AB_CVHSA41 100% 0.514 PF08715 C1_S147 - (0)20 1 / 19 / 19 13--
189PF00156_HGXR_PLAFG23 100% 0.845 PF00156 C3_S154 - (32)20 - / 13 / 22 11--
190PF07714_FAK1_HUMAN31 100% 0.308 PF07714 C1_S132 - (3)20 4 / 15 / 10 15--
191PF01712_DCK_HUMAN62 100% 0.720 PF01712 C2_S1151 - (116)20 8 / 51 / 59 24--
192PF00069_PMYT1_HUMAN7 100% 0.313 PF00069 C1_S128 - (7)11 - / 5 / 4 8 2 1.00
193PF00491_ARGI2_HUMAN27 100% 0.520 PF00491 C3_S131 - (20)16 - / - / 20 8--
194PF00105_RXRA_HUMAN33 100% 0.455 PF00105 C4_S149 - (0)20 15 / 13 / 4 16--
195PF07686_VGFR2_HUMAN33 100% 0.131 PF07686 C2_S135 - (0)20 22 / 10 / 1 25--
196PF00112_CATK_HUMAN50 100% 0.538 PF00112 C4_S167 - (0)20 - / 10 / 37 33--
197PF00069_MARK2_HUMAN14 100% 0.213 PF00069 C1_S130 - (7)12 3 / 9 / 2 9 11 0.12
198PF00850_APHA_MYCRA9 100% 0.619 PF00850 C4_S114 - (0)10 - / 1 / 8 7--
199PF00850_HDAC1_HUMAN15 100% 0.452 PF00850 C1_S128 - (0)16 - / 7 / 9 8--
200PF00069_MYLK4_HUMAN18 100% 0.346 PF00069 C1_S128 - (11)17 - / 8 / 10 11 9 0.47

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