Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000001741 (2017 - Acinetobacter Baumannii - ACIBS: Acinetobacter baumannii (strain SDF) [509170])

Download : Data.csv | 3D Common Core | 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


Sort by entries

 [Nb of SA]
 [Best Ident]
 [Best Score]
 Main Code
 [Name]
 [Number]
 [Number]
 Distribution of CDocking pKd
 [Number]
100B0VT3022 98% 0.55 PF01678 C4_S111 - (4)6 - / - / 6 4
101B0VLK623 64% 0.54 PF02844 C1_S135 - (25)6 - / 2 / 11 4
102B0VR8960 86% 0.56 PF00710 C9_S157 - (56)14 - / - / 36 4
103B0VSN440 74% 0.57 PF00370 C2_S143 - (43)14 - / 4 / 20 4
104B0VV7026 65% 0.55 PF00437 C4_S117 - (16)6 - / 3 / 7 4
105B0VTE561 70% 0.51 PF00692 C4_S1175 - (138)18 - / - / 33 4
106B0VRM331 53% 0.53 PF00923 C5_S137 - (0)12 - / 3 / 15 4
107B0VMQ340 53% 0.62 PF00254 C5_S1123 - (0)20 - / 6 / 13 4
108B0VR6831 44% 0.45 PF00005 C1_S160 - (0)15 - / 7 / 12 4
109B0VQN159 64% 0.58 PF02978 C6_S1127 - (101)16 4 / 22 / 17 4
110B0VKC333 43% 0.55 PF02826 C2_S165 - (43)16 6 / 5 / 5 4
111B0VTF627 70% 0.60 PF07992 C1_S1154 - (135)9 18 / 2 / 5 4
112B0VSN033 100% 0.63 PF02882 C3_S160 - (48)16 6 / 16 / 5 4
113B0VTZ931 42% 0.56 PF00982 C2_S159 - (22)17 1 / 8 / 16 4
114B0VMQ244 51% 0.42 PF00254 C6_S1124 - (0)18 - / 5 / 16 4
115B0VPZ822 71% 0.65 PF01113 C1_S148 - (33)9 4 / 9 / 2 4
116B0VRJ042 100% 0.60 PF00691 C5_S142 - (0)12 - / - / 17 4
117B0VLA025 71% 0.56 PF02774 C3_S144 - (1)13 1 / 9 / 7 4
118B0VKQ344 54% 0.36 PF00005 C2_S159 - (0)11 - / - / 27 4
119B0VP4923 35% ? PF00512 C4_S138 - (35)10 3 / 12 / 1 4
120B0VP9026 47% 0.50 PF11798 C1_S1154 - (145)18 - / 5 / 29 4
121B0VLA953 63% 0.67 PF00180 C7_S169 - (58)17 - / 8 / 31 4
122B0VQX523 77% 0.61 PF00056 C3_S136 - (26)11 7 / 11 / 2 4
123B0VUI923 32% 0.40 PF00962 C3_S144 - (15)20 - / 2 / 19 4
124B0VQK826 50% 0.54 PF02254 C3_S146 - (0)6 - / 5 / 8 3
125B0VMA653 86% 0.86 PF03143 C1_S175 - (0)10 14 / 24 / 13 3
126B0VMV424 100% 0.61 PF00132 C2_S154 - (29)10 - / 2 / 12 3
127B0VLK429 45% 0.49 PF00005 C1_S154 - (0)14 - / 8 / 11 3
128B0VUU032 38% 0.44 PF12627 C3_S120 - (16)7 - / - / 14 3
129B0VM3022 63% 0.51 PF02771 C2_S149 - (47)8 3 / 4 / 3 3
130B0VMH286 74% 0.62 PF00543 C5_S1100 - (0)10 - / 35 / 46 3
131B0VU2615 44% 0.53 PF01048 C2_S154 - (13)9 - / 4 / 4 3
132B0VUD921 51% 0.51 PF00768 C5_S127 - (0)16 - / - / 10 3
133B0VTL818 61% 0.54 PF02910 C2_S158 - (50)6 3 / - / 5 3
134B0VL2320 63% 0.53 PF00962 C1_S134 - (10)6 - / - / 8 3
135B0VV0323 47% 0.52 PF02771 C2_S143 - (39)6 1 / 6 / - 3
136B0VV0623 100% 0.57 PF00275 C3_S120 - (14)7 3 / 2 / 6 3
137B0VR7017 73% 0.51 PF01926 C3_S163 - (0)8 - / 5 / 3 3
138B0VMD717 68% 0.47 PF01964 C2_S135 - (0)10 - / 4 / 13 3
139B0VQC831 47% 0.62 PF03641 C5_S118 - (0)10 - / - / 7 3
140B0VTM930 65% 0.64 PF03740 C6_S127 - (26)6 - / - / 12 3
141B0VMS026 56% 0.57 PF00483 C1_S153 - (39)6 - / 13 / 1 3
142B0VND422 78% 0.64 PF00463 C5_S129 - (22)9 - / - / 9 3
143B0VQH822 41% 0.44 PF01128 C1_S132 - (27)10 - / 7 / 5 3
144B0VTX835 62% 0.62 PF00926 C4_S130 - (0)8 - / - / 17 3
145B0VTA613 75% 0.69 PF12804 C1_S162 - (43)8 - / 3 / 4 3
146B0VV2423 100% 0.65 PF00275 C7_S131 - (13)8 - / 2 / 7 3
147B0VPC732 78% 0.54 PF02550 C4_S143 - (0)9 - / 7 / 24 3
148B0VKK631 39% 0.53 PF12627 C5_S126 - (16)8 - / - / 16 3
149B0VS6930 43% 0.66 PF08282 C2_S127 - (0)9 - / - / 6 3
150B0VMP729 58% 0.45 PF02749 C6_S149 - (29)8 - / - / 18 3

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