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]
250B0VMP114 44% 0.64 PF00440 53 - (0)? - / - / - 0
251B0VQV80 53% 0.64 PF00963 0 - (0)? - / - / - 0
252B0VM2937 61% 0.64 PF00106 C1_S190 - (70)10 19 / 1 / 4 2
253B0VTM930 65% 0.64 PF03740 C6_S127 - (26)6 - / - / 12 3
254B0VVA322 34% 0.64 PF00202 C2_S158 - (36)6 - / 1 / 4 0
255B0VMG50 41% 0.64 PF00175 8 - (0)? - / - / - 0
256B0VM910 34% 0.64 PF07361 3 - (0)? - / - / - 0
257B0VRP24 31% 0.63 PF11890 4 - (0)? - / - / - 0
258B0VL164 47% 0.63 PF00440 32 - (0)? - / - / - 0
259B0VPV219 90% 0.63 PF01175 C5_S121 - (21)2 9 / - / - 1
260B0VL7912 74% 0.63 PF00830 0 - (0)? - / - / - 0
261B0VRP713 45% 0.63 PF00691 C4_S153 - (0)2 - / - / 2 0
262B0VSB517 61% 0.63 PF02492 55 - (46)? - / - / - 0
263B0VQE923 91% 0.63 PF04444 C8_S194 - (0)11 - / 7 / 6 1
264B0VTX117 44% 0.63 PF01386 1 - (0)1 - / - / - 0
265B0VQZ616 54% 0.63 PF00571 C1_S196 - (0)6 - / 7 / 1 1
266B0VKJ113 41% 0.63 PF13411 28 - (0)? - / - / - 0
267B0VV269 34% 0.63 PF02482 6 - (0)? - / - / - 0
268B0VTX320 70% 0.63 PF02261 C3_S115 - (7)4 - / - / 2 0
269B0VUA015 39% 0.63 PF00440 33 - (0)? - / - / - 0
270B0VKA118 34% 0.63 PF00326 9 - (0)? - / - / - 0
271B0VTF911 46% 0.63 PF13302 C1_S173 - (44)4 - / 4 / 1 0
272B0VMV320 51% 0.63 PF07977 C6_S148 - (1)5 - / - / 5 0
273B0VPB720 37% 0.63 PF00977 C1_S140 - (1)9 2 / 4 / 4 1
274B0VV9115 80% 0.63 PF00453 2 - (0)? - / - / - 0
275B0VMK361 81% 0.63 PF01751 C4_S171 - (0)20 10 / 35 / 11 21
276B0VR3436 95% 0.63 PF00905 C3_S167 - (0)20 - / - / 31 11
277B0VKR820 52% 0.63 PF04551 30 - (0)? - / - / - 0
278B0VQK119 55% 0.63 PF02617 C1_S19 - (0)5 - / - / 5 1
279B0VN0022 49% 0.63 PF02224 C3_S151 - (43)14 - / 10 / 7 6
280B0VSN033 100% 0.63 PF02882 C3_S160 - (48)16 6 / 16 / 5 4
281B0VUZ015 37% 0.63 PF01336 4 - (0)? - / - / - 0
282B0VUK114 52% 0.63 PF03869 15 - (0)? - / - / - 0
283B0VLH413 43% 0.63 PF00691 C7_S135 - (0)2 - / - / 1 1
284B0VS1521 60% 0.63 PF00012 C1_S130 - (0)4 - / 9 / - 2
285B0VRD413 41% 0.63 PF02798 6 - (0)? - / - / - 0
286B0VPC919 52% 0.63 PF00486 C2_S116 - (0)1 - / - / 1 0
287B0VP7714 28% 0.63 PF01695 C5_S119 - (16)2 - / 2 / - 0
288B0VPK41 60% 0.62 PF14604 3 - (0)? - / - / - 0
289B0VTG523 84% 0.62 PF00164 8 - (0)0 - / - / - 0
290B0VR989 44% 0.62 PF00171 5 - (0)? - / - / - 0
291B0VV2512 38% 0.62 PF01722 1 - (0)? - / - / - 0
292B0VKR415 65% 0.62 PF07670 C6_S136 - (0)3 1 / 6 / - 1
293B0VPB10 36% 0.62 PF02060 1 - (0)? - / - / - 0
294B0VTX835 62% 0.62 PF00926 C4_S130 - (0)8 - / - / 17 3
295B0VQR121 45% 0.62 PF00042 C3_S171 - (10)5 1 / 2 / 4 0
296B0VP1120 34% 0.62 PF07859 11 - (0)2 - / - / - 0
297B0VS6110 36% 0.62 PF07703 2 - (0)? - / - / - 0
298B0VVD20 35% 0.62 PF03621 0 - (0)? - / - / - 0
299B0VV4120 53% 0.62 PF00398 C1_S116 - (0)1 - / 1 / 2 0
300B0VNX920 43% 0.62 PF00408 C1_S119 - (17)3 - / - / 2 0

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