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)
350PF00069_ST32C_HUMAN20 65% 0.393 PF00433 C1_S151 - (10)20 - / 14 / 9 15 3 0.36
351PF00089_TRYP_PIG41 100% 0.840 PF00089 C1_S159 - (0)20 2 / 4 / 28 15--
352PF07714_FAK1_HUMAN31 100% 0.308 PF07714 C1_S132 - (3)20 4 / 15 / 10 15--
353PF00102_PTN1_HUMAN32 100% 0.544 PF00102 C3_S142 - (6)20 2 / 20 / 9 15--
354PF00603_PA_I34A140 97% 0.151 PF00603 C10_S152 - (0)20 - / - / 35 15--
355PF00233_PDE2A_BOVIN15 99% 0.370 PF00233 C1_S128 - (3)20 - / - / 18 15--
356PF00273_ALBU_BOVIN41 99% 0.555 PF00273 C8_S183 - (0)20 - / 7 / 32 15--
357PF00069_KC1G1_HUMAN18 89% 0.369 PF00069 C1_S140 - (5)19 - / 13 / 10 15 14 0.12
358PF07714_FGFR4_MOUSE54 75% 0.210 PF07714 C1_S156 - (26)20 - / 21 / 32 15--
359PF07647_EPHA4_MOUSE28 100% 0.171 PF00536 C2_S128 - (10)20 1 / 14 / 11 15--
360PF00233_PDE2A_HUMAN15 100% 0.354 PF00233 C1_S131 - (3)20 - / 1 / 16 15--
361PF00069_NEK1_HUMAN21 100% 0.161 PF00069 C1_S149 - (9)20 1 / 14 / 7 15 10 -0.03
362PF01712_DGUOK_HUMAN21 100% 0.388 PF01712 C4_S167 - (54)15 3 / 18 / 21 15--
363PF00439_BRD2_HUMAN43 100% 0.084 PF00439 C6_S154 - (0)20 - / 15 / 20 15--
364PF00069_KC1D_RAT35 100% 0.560 PF00069 C1_S151 - (4)20 - / 30 / 6 15--
365PF00433_KPCT_HUMAN23 100% 0.257 PF00433 C1_S152 - (10)20 - / 26 / 9 15--
366PF00069_KC1G3_HUMAN16 100% 0.330 PF00069 C1_S138 - (5)17 - / 10 / 11 15 13 -0.25
367PF00071_RASK_HUMAN64 96% 0.560 PF00071 C1_S198 - (0)20 21 / 47 / 17 15--
368PF01425_FAAH1_HUMAN35 85% 0.469 PF01425 C7_S144 - (0)20 3 / 21 / 11 15--
369PF00536_EPHB1_HUMAN32 100% 0.155 PF00536 C1_S139 - (14)20 1 / 17 / 15 15--
370PF10613_GRIA4_HUMAN28 99% 0.402 PF10613 C1_S155 - (0)20 - / - / 15 15--
371PF00061_LACB_BOVIN23 100% 0.482 PF00061 C4_S140 - (0)20 - / 3 / 19 15 2 1.00
372PF07714_FGFR3_MOUSE54 94% 0.206 PF07714 C2_S156 - (26)20 2 / 20 / 30 15--
373PF00254_FKB1A_BOVIN49 100% 0.776 PF00254 C3_S157 - (0)20 3 / 32 / 5 15--
374PF03098_PGH1_HUMAN37 93% 0.458 PF03098 C1_S174 - (4)20 - / 27 / 24 15--
375PF00105_GCR_RAT37 95% 0.197 PF00105 C2_S186 - (0)20 11 / 28 / 14 15--
376PF07714_FGFR3_HUMAN54 98% 0.220 PF07714 C2_S156 - (26)20 2 / 20 / 30 15--
377PF00105_PPARA_CANFA30 97% 0.490 PF00105 C3_S166 - (0)20 12 / 8 / 11 15--
378PF07686_UFO_HUMAN17 69% 0.153 PF01833 C1_S118 - (1)18 9 / 5 / 3 15--
379PF00069_MAST3_HUMAN18 88% 0.129 PF00069 C1_S143 - (5)18 - / 6 / 14 15--
380PF01596_COMT_HUMAN19 100% 0.452 PF01596 C1_S140 - (14)17 9 / 4 / 5 15--
381PF01593_AOFB_RAT51 89% 0.817 PF01593 C1_S1119 - (80)10 51 / 8 / 29 15--
382PF00433_KPCA_MOUSE23 98% 0.377 PF00433 C1_S151 - (13)20 - / 26 / 8 14--
383PF00069_KC1A_HUMAN34 76% 0.459 PF00069 C1_S153 - (5)20 - / 31 / 6 14 14 0.49
384PF00343_PYGL_MOUSE21 95% 0.764 PF00343 C18_S141 - (9)19 - / 9 / 26 14--
385PF00433_KPCG_RAT22 75% 0.356 PF00433 C1_S148 - (12)20 - / 22 / 12 14--
386PF00433_KPCD_MOUSE22 71% 0.274 PF00433 C2_S148 - (11)20 - / 23 / 8 14--
387PF00433_KPCB_HUMAN23 95% 0.369 PF00433 C1_S149 - (12)20 - / 25 / 11 14--
388PF00440_ETHR_MYCS216 63% 0.570 PF00440 C1_S135 - (0)18 3 / 11 / 1 14--
389PF00105_PPARA_MOUSE30 92% 0.501 PF00105 C4_S167 - (0)20 6 / 13 / 11 14--
390PF00069_CDK17_HUMAN22 81% 0.301 PF00069 C1_S132 - (9)20 1 / 10 / 10 14 18 -0.45
391PF00068_PA21B_RAT48 80% 0.451 PF00068 C8_S194 - (0)20 - / 8 / 30 14--
392PF00440_ETHR_MYCTU18 100% 0.552 PF00440 C1_S138 - (0)17 8 / 11 / - 14--
393PF00069_STK3_MOUSE20 98% 0.334 PF00069 C2_S138 - (11)20 2 / 12 / 7 14 5 0.57
394PF00194_CAH7_HUMAN24 100% 0.527 PF00194 C1_S137 - (3)20 - / - / 19 14--
395PF01048_PUNA_MYCTU30 100% 0.859 PF01048 C7_S144 - (27)20 - / 6 / 26 14--
396PF00809_DHPS_ECOL619 100% 0.886 PF00809 C1_S125 - (14)20 - / 4 / 21 14--
397PF00069_BMPR2_HUMAN12 43% 0.157 PF08515 C1_S137 - (2)19 2 / 11 / 7 14 15 0.21
398PF07714_FLT3_HUMAN15 87% 0.158 PF07714 C2_S116 - (0)15 5 / 7 / 3 14--
399PF00069_STK3_HUMAN20 99% 0.334 PF00069 C1_S137 - (11)20 2 / 12 / 6 14 25 0.24
400PF00433_KPCA_HUMAN23 98% 0.373 PF00433 C1_S151 - (13)20 - / 24 / 10 14--

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