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]
300B0VLJ421 57% 0.43 PF00403 C1_S113 - (0)5 - / 4 / 2 2
301B0VMV221 100% 0.51 PF04613 C2_S153 - (20)3 - / - / 1 0
302B0VS2521 42% 0.53 PF02525 C1_S1223 - (111)11 1 / 1 / 1 0
303B0VSL121 71% 0.71 PF00549 C3_S123 - (17)2 - / 14 / - 1
304B0VUX321 37% 0.45 PF00005 C1_S123 - (0)8 - / 4 / 4 1
305B0VSC121 67% 0.55 PF00699 4 - (0)2 - / - / - 0
306B0VMG021 99% 0.58 PF01676 C3_S120 - (14)4 - / 5 / 9 2
307B0VL0421 50% 0.61 PF00701 C7_S169 - (0)13 - / - / 7 0
308B0VUD921 51% 0.51 PF00768 C5_S127 - (0)16 - / - / 10 3
309B0VQ7421 59% 0.60 PF00080 10 - (0)1 - / - / - 0
310B0VSD621 33% 0.51 PF03143 C4_S140 - (0)8 1 / 6 / 4 1
311B0VQ4921 68% 0.58 PF01042 C4_S137 - (0)8 - / - / 1 0
312B0VM7021 66% 0.60 PF00160 C6_S1109 - (2)14 - / - / 7 0
313B0VM9521 52% 0.52 PF01967 24 - (0)1 - / - / - 0
314B0VMF021 59% 0.50 PF00291 C3_S145 - (39)4 - / 2 / 7 2
315B0VTY321 58% 0.61 PF00106 C1_S161 - (0)20 - / - / 20 0
316B0VS1521 60% 0.63 PF00012 C1_S130 - (0)4 - / 9 / - 2
317B0VUD421 67% 0.59 PF00206 C4_S146 - (29)4 2 / 2 / 6 2
318B0VN8621 40% 0.36 PF00072 C5_S160 - (0)2 - / - / 2 0
319B0VQB921 46% 0.60 PF00459 C6_S122 - (16)6 - / - / 4 1
320B0VRH621 67% 0.48 PF00108 C4_S121 - (8)8 - / - / 4 0
321B0VQG921 81% 0.54 PF00775 C6_S125 - (0)1 - / - / 1 1
322B0VS1321 61% ? PF01425 C5_S151 - (0)12 - / - / 9 2
323B0VKW321 37% 0.53 PF00724 158 - (76)0 - / - / - 0
324B0VSH021 59% 0.46 PF00873 15 - (0)0 - / - / - 0
325B0VT9021 50% ? PF01330 C3_S128 - (0)4 - / - / 4 0
326B0VPL721 50% 0.47 PF13662 C6_S113 - (0)1 - / - / 1 0
327B0VQN721 37% 0.60 PF00848 C2_S140 - (0)2 - / - / 21 0
328B0VUQ921 98% 0.57 PF01208 C1_S117 - (12)6 7 / 1 / - 2
329B0VQ8421 63% 0.59 PF02812 10 - (0)1 - / - / - 0
330B0VLI621 71% 0.62 PF00578 C1_S117 - (0)6 - / - / 2 0
331B0VNB821 67% 0.57 PF13193 C6_S158 - (28)10 - / 9 / 6 2
332B0VUR721 52% 0.42 PF01799 C7_S115 - (1)3 - / - / 1 1
333B0VLX421 63% 0.57 PF02737 C2_S138 - (36)7 4 / 1 / 3 1
334B0VQE621 70% 0.57 PF03466 C1_S114 - (0)5 - / - / 8 2
335B0VUC521 45% 0.59 PF01596 C2_S140 - (28)4 - / - / 4 0
336B0VTX021 69% 0.60 PF13793 C9_S127 - (27)8 - / 1 / 13 2
337B0VT9621 95% 0.65 PF00378 26 - (0)1 - / - / - 0
338B0VTQ620 46% 0.62 PF01180 C3_S182 - (43)2 5 / 5 / - 1
339B0VKU420 74% 0.62 PF10431 C5_S122 - (0)1 - / - / 1 0
340B0VMR120 41% 0.45 PF00793 C6_S115 - (6)5 - / 1 / 3 1
341B0VQY320 39% 0.49 PF02852 44 - (37)1 - / - / - 0
342B0VSL420 57% 0.56 PF00579 C4_S138 - (31)9 - / - / 8 2
343B0VTM520 43% 0.56 PF14622 C1_S130 - (0)4 - / - / 2 0
344B0VKR820 52% 0.63 PF04551 30 - (0)? - / - / - 0
345B0VTE420 33% 0.58 PF00408 C1_S119 - (17)12 - / - / 12 7
346B0VRL120 33% 0.54 PF00465 C2_S134 - (32)6 - / 2 / 3 0
347B0VUU120 48% 0.46 PF01515 C2_S111 - (7)3 - / 2 / 2 0
348B0VME720 42% 0.55 PF00589 20 - (0)? - / - / - 0
349B0VT3120 32% 0.46 PF03747 C7_S16 - (0)3 - / 1 / 1 0
350B0VLW520 34% 0.37 PF13532 C4_S1102 - (0)2 - / - / 1 0

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