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)
400PF00069_KC1E_HUMAN35 100% 0.536 PF00069 C1_S150 - (4)20 - / 30 / 6 16 42 0.09
401PF00433_KPCE_RAT22 70% 0.304 PF00433 C1_S150 - (12)20 - / 24 / 12 16--
402PF00433_KPCZ_HUMAN23 85% 0.342 PF00433 C2_S150 - (11)20 - / 14 / 21 17--
403PF00433_KPCE_MOUSE22 71% 0.288 PF00433 C1_S150 - (12)20 - / 24 / 12 16--
404PF00433_KPCD_HUMAN23 72% 0.279 PF00433 C2_S150 - (12)20 - / 22 / 11 15--
405PF00433_KPCE_HUMAN22 72% 0.286 PF00433 C1_S150 - (12)20 - / 23 / 12 16--
406PF00069_MK08_RAT37 99% 0.421 PF00069 C1_S150 - (8)20 6 / 19 / 10 29--
407PF00491_ARGI1_BOVIN50 91% 0.767 PF00491 C12_S150 - (22)20 - / - / 26 12--
408PF00069_PIM2_HUMAN22 100% 0.443 PF00069 C1_S150 - (5)20 - / 14 / 16 18 104 -0.01
409PF00069_MK10_HUMAN37 100% 0.384 PF00069 C2_S150 - (7)20 9 / 16 / 10 26 137 0.35
410PF02244_CBPA1_HUMAN42 100% 0.569 PF02244 C3_S150 - (0)20 - / 5 / 31 19--
411PF00821_PCKGC_RAT25 100% 0.655 PF00821 C5_S150 - (39)16 13 / 7 / 16 12--
412PF00491_ARGI1_HUMAN50 100% 0.795 PF00491 C10_S150 - (22)20 - / - / 26 10--
413PF00105_RXRB_MOUSE34 98% 0.335 PF00105 C4_S150 - (0)20 19 / 10 / 5 17--
414PF01048_PNPH_MOUSE40 84% 0.623 PF01048 C5_S150 - (25)20 - / - / 37 16--
415PF00105_RXRB_HUMAN34 100% 0.340 PF00105 C5_S150 - (0)20 19 / 10 / 5 17--
416PF00089_TRY1_HUMAN35 99% 0.821 PF00089 C1_S149 - (0)16 - / 4 / 27 9--
417PF00105_RXRG_HUMAN32 95% 0.363 PF00105 C5_S149 - (0)20 13 / 15 / 4 13--
418PF00069_CDKL2_HUMAN23 99% 0.339 PF00069 C1_S149 - (8)20 1 / 11 / 14 13 9 -0.03
419PF00105_RXRG_RAT33 95% 0.359 PF00105 C4_S149 - (0)20 13 / 16 / 4 14--
420PF00105_RXRA_MOUSE33 100% 0.450 PF00105 C6_S149 - (0)20 16 / 13 / 4 16--
421PF00105_RXRA_RAT33 100% 0.451 PF00105 C4_S149 - (0)20 16 / 13 / 4 15--
422PF00069_NEK1_HUMAN21 100% 0.161 PF00069 C1_S149 - (9)20 1 / 14 / 7 15 10 -0.03
423PF01048_PNPH_HUMAN40 99% 0.832 PF01048 C5_S149 - (24)20 - / - / 38 16--
424PF00089_FA10_HUMAN41 100% 0.389 PF00089 C3_S149 - (0)20 6 / 29 / 4 31--
425PF00105_RXRA_HUMAN33 100% 0.455 PF00105 C4_S149 - (0)20 15 / 13 / 4 16--
426PF00433_KPCB_RAT22 96% 0.370 PF00433 C1_S149 - (12)20 - / 24 / 10 14--
427PF00069_MK08_MOUSE36 100% 0.469 PF00069 C1_S149 - (8)20 6 / 18 / 10 28 7 -0.36
428PF00156_HPRT_HUMAN25 100% 0.701 PF00156 C2_S149 - (31)20 - / 12 / 17 9--
429PF00069_CDKL5_HUMAN23 99% 0.138 PF00069 C1_S149 - (6)20 - / 10 / 16 16 6 0.64
430PF00194_CAH7_MOUSE25 94% 0.524 PF00194 C1_S149 - (5)20 - / - / 19 14--
431PF00433_KPCB_HUMAN23 95% 0.369 PF00433 C1_S149 - (12)20 - / 25 / 11 14--
432PF01126_HMOX2_RAT24 90% 0.425 PF01126 C2_S149 - (11)12 20 / 5 / 4 6--
433PF00069_MK11_MOUSE44 96% 0.498 PF00069 C1_S149 - (0)20 11 / 28 / 5 36--
434PF03331_LPXC_AQUAE29 99% 0.768 PF03331 C1_S149 - (0)20 1 / 6 / 27 16--
435PF00433_KPCA_BOVIN22 98% 0.366 PF00433 C1_S149 - (12)20 - / 23 / 10 14--
436PF00069_MK08_HUMAN37 100% 0.418 PF00069 C1_S148 - (7)20 6 / 19 / 10 29 55 -0.08
437PF00962_ADA_BOVIN27 95% 0.777 PF00962 C5_S148 - (16)20 2 / 9 / 13 18--
438PF00337_LEG3_HUMAN32 100% 0.323 PF00337 C5_S148 - (0)11 - / - / 30 7--
439PF00433_KPCG_HUMAN22 75% 0.363 PF00433 C1_S148 - (12)20 - / 22 / 12 14--
440PF00433_KPCG_RAT22 75% 0.356 PF00433 C1_S148 - (12)20 - / 22 / 12 14--
441PF00337_LEG3_MOUSE31 87% 0.339 PF00337 C2_S148 - (0)13 - / - / 31 7--
442PF00017_KSYK_HUMAN35 100% 0.447 PF07714 C2_S148 - (10)20 6 / 23 / 8 27 55 0.19
443PF00017_KSYK_RAT35 97% 0.456 PF07714 C2_S148 - (10)20 6 / 23 / 8 27--
444PF00433_KPCD_MOUSE22 71% 0.274 PF00433 C2_S148 - (11)20 - / 23 / 8 14--
445PF02540_NADE_BACSU19 100% 0.841 PF02540 C2_S147 - (45)10 - / 10 / 19 6--
446PF00693_KITH_HHV1122 100% 0.491 PF00693 C4_S147 - (41)18 1 / 4 / 21 10--
447PF00069_DAPK3_HUMAN39 99% 0.357 PF00069 C1_S147 - (27)20 1 / 9 / 27 11 20 0.31
448PF08715_R1AB_CVHSA41 100% 0.514 PF08715 C1_S147 - (0)20 1 / 19 / 19 13--
449PF00433_KS6B1_HUMAN25 100% 0.354 PF00433 C1_S147 - (11)19 1 / 25 / 2 11--
450PF00183_HSP90_CANAL42 88% 0.355 PF00183 C2_S147 - (0)20 5 / 14 / 20 17--

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