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)
150PF00018_GRB2_HUMAN57 100% 0.548 PF00018 C3_S176 - (0)19 5 / 49 / 5 9 25 0.47
151PF00069_PAK4_HUMAN25 100% 0.390 PF00069 C1_S156 - (15)17 3 / 11 / 18 11 28 0.48
152PF00069_KC1A_HUMAN34 76% 0.459 PF00069 C1_S153 - (5)20 - / 31 / 6 14 14 0.49
153PF00067_CP2C9_HUMAN22 99% 0.495 PF00067 C4_S175 - (13)8 22 / 3 / 8 11 28 0.50
154PF00054_SHBG_HUMAN9 100% 0.371 PF00054 C3_S113 - (0)7 - / 10 / - 6 80 0.50
155PF00069_PAK6_HUMAN24 100% 0.229 PF00069 C1_S167 - (17)18 3 / 14 / 13 10 8 0.51
156PF00069_MK01_HUMAN48 100% 0.782 PF00069 C1_S181 - (14)20 3 / 23 / 23 29 318 0.51
157PF00018_ABL1_HUMAN69 100% 0.318 PF00018 C3_S184 - (11)20 48 / 22 / 7 26 258 0.52
158PF00069_KGP1_HUMAN21 45% 0.242 PF00069 C2_S153 - (7)20 - / 21 / 15 20 4 0.53
159PF00069_MK11_HUMAN41 99% 0.482 PF00069 C1_S152 - (5)20 14 / 23 / 4 34 29 0.53
160PF00018_BTK_HUMAN27 100% 0.393 PF00018 C2_S135 - (2)20 5 / 21 / 3 21 23 0.53
161PF00069_AVR2B_HUMAN18 98% 0.274 PF08515 C1_S133 - (4)17 1 / 14 / 5 11 14 0.54
162PF00069_KCC1G_HUMAN21 100% 0.325 PF00069 C1_S142 - (10)20 1 / 10 / 13 12 7 0.55
163PF00069_KKCC2_HUMAN14 100% 0.198 PF00069 C1_S146 - (9)16 - / 8 / 7 14 8 0.56
164PF00069_STK3_MOUSE20 98% 0.334 PF00069 C2_S138 - (11)20 2 / 12 / 7 14 5 0.57
165PF00069_STK39_HUMAN17 87% 0.280 PF00069 C1_S130 - (12)13 - / 3 / 12 10 6 0.58
166PF00018_TEC_HUMAN32 67% 0.312 PF00018 C3_S139 - (2)20 5 / 26 / 3 27 18 0.58
167PF00074_RNAS1_BOVIN29 100% 0.433 PF00074 C9_S139 - (0)20 - / 1 / 24 9 21 0.59
168PF00069_KPCD3_HUMAN14 39% 0.157 PF00069 C1_S137 - (12)15 - / 6 / 9 10 7 0.60
169PF00069_TAOK1_HUMAN18 89% 0.181 PF00069 C1_S136 - (11)18 2 / 9 / 9 12 13 0.60
170PF00012_HSP71_HUMAN53 100% 0.580 PF00012 C1_S169 - (0)12 11 / 36 / 5 7 9 0.60
171PF00069_MST4_HUMAN16 100% 0.365 PF00069 C1_S136 - (11)19 - / 9 / 9 13 13 0.63
172PF00069_CDKL5_HUMAN23 99% 0.138 PF00069 C1_S149 - (6)20 - / 10 / 16 16 6 0.64
173PF00061_FABP4_HUMAN28 100% 0.684 PF00061 C4_S140 - (0)20 1 / 9 / 18 22 32 0.64
174PF00026_BACE2_HUMAN19 100% 0.404 PF00026 C7_S136 - (0)19 3 / 6 / 8 13 17 0.66
175PF00069_MARK3_HUMAN12 99% 0.225 PF00069 C1_S129 - (7)10 3 / 7 / 2 7 3 0.67
176PF00069_PDPK1_HUMAN31 100% 0.269 PF00069 C2_S162 - (10)20 4 / 20 / 6 25 37 0.68
177PF00069_AAPK1_HUMAN14 98% 0.339 PF00069 C1_S125 - (3)14 1 / 11 / 2 9 10 0.68
178PF00089_CELA1_HUMAN54 89% 0.467 PF00089 C2_S1104 - (0)20 2 / 1 / 39 12 7 0.70
179PF00061_RABP1_MOUSE34 100% 0.578 PF00061 C7_S146 - (0)20 - / 11 / 21 12 5 0.73
180PF00069_M3K6_HUMAN12 75% 0.097 PF00069 C1_S135 - (6)15 2 / 7 / 6 11 4 0.79
181PF00069_M3K15_HUMAN14 83% 0.101 PF00069 C1_S146 - (6)17 4 / 7 / 6 10 6 0.80
182PF00069_MAPK2_HUMAN14 100% 0.367 PF00069 C1_S132 - (9)14 - / 10 / 5 11 4 0.80
183PF00069_STK25_HUMAN19 99% 0.349 PF00069 C1_S143 - (12)20 2 / 9 / 9 11 8 0.80
184PF00069_AAPK2_HUMAN12 100% 0.350 PF00069 C1_S123 - (4)12 1 / 10 / - 7 3 0.82
185PF00069_CSK2A_MAIZE60 100% 0.764 PF00069 C1_S1109 - (13)20 1 / 29 / 28 33 20 0.82
186PF00067_CP2CJ_HUMAN22 99% 0.499 PF00067 C7_S175 - (13)9 23 / 3 / 9 11 16 0.82
187PF00069_WEE2_HUMAN9 63% 0.215 PF00069 C1_S133 - (11)10 1 / 3 / 5 6 4 0.87
188PF00089_CELA1_PIG53 100% 0.761 PF00089 C2_S1104 - (0)20 3 / - / 41 12 13 0.88
189PF00069_KAPCB_RAT66 93% 0.794 PF00069 C1_S1147 - (11)20 17 / 48 / 53 39 3 1.00
190PF00069_PMYT1_HUMAN7 100% 0.313 PF00069 C1_S128 - (7)11 - / 5 / 4 8 2 1.00
191PF00069_DCLK2_HUMAN19 44% 0.181 PF00069 C1_S135 - (11)18 - / 2 / 17 12 2 1.00
192PF00061_LACB_BOVIN23 100% 0.482 PF00061 C4_S140 - (0)20 - / 3 / 19 15 2 1.00
193PF00012_HSP7C_BOVIN55 100% 0.613 PF00012 C1_S170 - (0)15 11 / 36 / 8 9 1 -
194PF00069_MYLK_CHICK6 52% 0.113 PF00069 C2_S19 - (0)8 - / 2 / 4 6 3 1.00
195PF00012_HSP7C_HUMAN55 100% 0.604 PF00012 C2_S171 - (55)15 11 / 36 / 8 9 1 -
196PF00017_ABL_MLVAB69 100% 0.437 PF00018 C2_S183 - (10)20 48 / 22 / 7 26--
197PF00017_BMX_MOUSE31 93% 0.272 PF00018 C2_S142 - (2)20 5 / 25 / 3 22--
198PF00017_FPS_FUJSV29 79% 0.256 PF00018 C1_S141 - (6)20 6 / 15 / 11 17 1 -
199PF00017_JAK2_MOUSE27 96% 0.134 PF00017 C2_S133 - (6)20 3 / 22 / 3 19--
200PF00017_KSYK_RAT35 97% 0.456 PF07714 C2_S148 - (10)20 6 / 23 / 8 27--

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