SIMILAR PATTERNS OF AMINO ACIDS FOR 4AZV_A_SAMA1474

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cen CELLULASE CELC

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		5 ASN A  82
ILE A  37
VAL A  45
HIS A  44
ILE A   8
 None
 0.98A 4azvA-1cenA:
2.5		 4azvA-1cenA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		5 ARG A 256
ILE A 250
SER A 262
VAL A 261
ILE A 287
 None
 1.00A 4azvA-1dy6A:
undetectable		 4azvA-1dy6A:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ebd DIHYDROLIPOAMIDE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 192
ALA A 194
ASN A 197
ILE A 204
ILE A 211
 None
 0.85A 4azvA-1ebdA:
3.7		 4azvA-1ebdA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fep FERRIC ENTEROBACTIN
RECEPTOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ASN A 230
ILE A 119
SER A  46
VAL A  45
ILE A  36
 None
 0.96A 4azvA-1fepA:
undetectable		 4azvA-1fepA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hq0 CYTOTOXIC
NECROTIZING FACTOR 1

(Escherichia
coli) 		PF05785
(CNF1) 		5 GLY A 842
ILE A 843
SER A 834
VAL A 833
ILE A 831
 None
None
PO4  A 302 ( 4.5A)
None
None
 0.94A 4azvA-1hq0A:
undetectable		 4azvA-1hq0A:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hq0 CYTOTOXIC
NECROTIZING FACTOR 1

(Escherichia
coli) 		PF05785
(CNF1) 		5 GLY A 842
ILE A 843
SER A 834
VAL A 833
ILE A 858
 None
None
PO4  A 302 ( 4.5A)
None
None
 0.93A 4azvA-1hq0A:
undetectable		 4azvA-1hq0A:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kzh PHOSPHOFRUCTOKINASE

(Borreliella
burgdorferi) 		PF00365
(PFK) 		6 GLY A  76
ILE A 170
ASN A 165
ILE A  77
LEU A  73
ILE A  91
 None
 1.41A 4azvA-1kzhA:
undetectable		 4azvA-1kzhA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lml LEISHMANOLYSIN

(Leishmania
major) 		PF01457
(Peptidase_M8) 		5 ALA A 486
ILE A 490
SER A 523
VAL A 524
ILE A 556
 None
 1.00A 4azvA-1lmlA:
undetectable		 4azvA-1lmlA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ALA A1089
LEU A1020
SER A1032
VAL A1031
ILE A1061
 None
 0.87A 4azvA-1n5xA:
undetectable		 4azvA-1n5xA:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		5 GLY A 115
ILE A 208
ILE A 209
VAL A 127
ILE A 172
 None
NAG  A 801 ( 4.7A)
None
None
None
 0.37A 4azvA-1q5aA:
undetectable		 4azvA-1q5aA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rf5 5-ENOLPYRUVYLSHIKIMA
TE-3-PHOSPHATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		6 GLY A  30
ALA A  33
ILE A  28
ILE A  27
VAL A  71
ILE A  69
 None
 1.02A 4azvA-1rf5A:
undetectable		 4azvA-1rf5A:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wa5 IMPORTIN ALPHA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00514
(Arm)
PF01749
(IBB)
PF16186
(Arm_3) 		5 ILE B 477
ILE B 455
SER B 426
VAL B 425
ILE B 421
 None
 0.95A 4azvA-1wa5B:
undetectable		 4azvA-1wa5B:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wkr POLYPOROPEPSIN

(Irpex lacteus) 		PF00026
(Asp) 		5 GLY A  90
ALA A  92
ILE A  89
SER A  60
VAL A  59
 None
 0.93A 4azvA-1wkrA:
undetectable		 4azvA-1wkrA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wuf HYPOTHETICAL PROTEIN
LIN2664

(Listeria
innocua) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A1046
ILE A1034
ILE A1033
VAL A1297
ILE A1328
 None
 0.92A 4azvA-1wufA:
undetectable		 4azvA-1wufA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xmx HYPOTHETICAL PROTEIN
VC1899

(Vibrio cholerae) 		PF09002
(DUF1887) 		6 GLY A   6
ILE A  32
ILE A  30
LEU A  44
HIS A   4
ILE A   3
 None
None
None
None
GOL  A 401 (-4.1A)
None
 1.48A 4azvA-1xmxA:
3.9		 4azvA-1xmxA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ybx CONSERVED
HYPOTHETICAL PROTEIN

(Ruminiclostridium
thermocellum) 		PF02575
(YbaB_DNA_bd) 		6 ALA A  43
ILE A  63
ILE A  61
LEU A  81
VAL A  84
ILE A  58
 None
 1.28A 4azvA-1ybxA:
undetectable		 4azvA-1ybxA:
12.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yxy PUTATIVE
N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Streptococcus
pyogenes) 		PF04131
(NanE) 		5 GLY A 158
ALA A 138
ILE A 190
LEU A 161
SER A 141
 None
 0.83A 4azvA-1yxyA:
undetectable		 4azvA-1yxyA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z6x ADP-RIBOSYLATION
FACTOR 4

(Homo sapiens) 		PF00025
(Arf) 		5 GLY A  29
ALA A  27
ILE A  33
VAL A  91
ILE A  89
 GDP  A 201 (-3.0A)
GDP  A 201 (-4.1A)
None
None
None
 0.87A 4azvA-1z6xA:
undetectable		 4azvA-1z6xA:
14.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zy9 ALPHA-GALACTOSIDASE

(Thermotoga
maritima) 		PF02065
(Melibiase) 		5 GLY A 351
ALA A 347
ILE A 355
LEU A 298
ILE A 326
 None
 0.99A 4azvA-1zy9A:
undetectable		 4azvA-1zy9A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cv6 SEED STORAGE PROTEIN

(Vigna radiata) 		PF00190
(Cupin_1) 		6 GLY A 350
ALA A 353
ILE A 282
ASN A 356
ILE A 284
LEU A 258
 None
 1.46A 4azvA-2cv6A:
undetectable		 4azvA-2cv6A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e5f HYPOTHETICAL PROTEIN
PH0510

(Pyrococcus
horikoshii) 		PF01380
(SIS) 		5 GLY A  13
ILE A  15
ILE A  14
SER A 138
ILE A 292
 None
 0.82A 4azvA-2e5fA:
4.1		 4azvA-2e5fA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gzx PUTATIVE TATD
RELATED DNASE

(Staphylococcus
aureus) 		PF01026
(TatD_DNase) 		5 GLY A  58
ILE A  59
ILE A  60
LEU A  49
HIS A  84
 None
 0.94A 4azvA-2gzxA:
undetectable		 4azvA-2gzxA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i7g MONOOXYGENASE

(Agrobacterium
fabrum) 		PF00296
(Bac_luciferase) 		5 GLY A 316
ASN A  12
ARG A  52
VAL A 257
ILE A 261
 None
 0.94A 4azvA-2i7gA:
undetectable		 4azvA-2i7gA:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ji9 OXALYL-COA
DECARBOXYLASE

(Oxalobacter
formigenes) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		6 ALA A 235
ILE A 218
ILE A 279
SER A 331
VAL A 330
ILE A 326
 None
None
None
None
None
ADP  A1556 (-4.0A)
 1.22A 4azvA-2ji9A:
undetectable		 4azvA-2ji9A:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2m71 TRANSLATION
INITIATION FACTOR
IF-3

(Campylobacter
jejuni) 		PF00707
(IF3_C) 		5 GLY A  56
ALA A  55
PHE A  79
SER A  14
VAL A  43
 None
 0.98A 4azvA-2m71A:
3.8		 4azvA-2m71A:
10.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2np0 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 ILE A 933
ILE A 970
SER A 928
VAL A1004
ILE A1015
 None
 0.98A 4azvA-2np0A:
undetectable		 4azvA-2np0A:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nzu CATABOLITE CONTROL
PROTEIN

(Bacillus
megaterium) 		PF13377
(Peripla_BP_3) 		5 GLY G 226
ILE G 227
SER G 184
VAL G 183
ILE G 243
 None
 0.85A 4azvA-2nzuG:
3.4		 4azvA-2nzuG:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o8e DNA MISMATCH REPAIR
PROTEIN MSH6

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		5 ALA B 879
ILE B 874
ILE B 871
LEU B 893
ILE B1054
 None
 0.98A 4azvA-2o8eB:
undetectable		 4azvA-2o8eB:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2po2 PROBABLE EXOSOME
COMPLEX EXONUCLEASE
2

(Pyrococcus
abyssi) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 ILE B 158
ASN B 163
ILE B 155
VAL B  52
ILE B  36
 None
 0.89A 4azvA-2po2B:
undetectable		 4azvA-2po2B:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v0j BIFUNCTIONAL PROTEIN
GLMU

(Haemophilus
influenzae) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		6 GLY A 321
ALA A 340
ILE A 319
ILE A 303
VAL A 307
ILE A 309
 None
 1.36A 4azvA-2v0jA:
undetectable		 4azvA-2v0jA:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v1o CYTOSOLIC ACYL
COENZYME A THIOESTER
HYDROLASE

(Mus musculus) 		PF03061
(4HBT) 		5 GLY A  42
ILE A  44
ILE A  45
VAL A  96
ILE A  86
 None
 0.90A 4azvA-2v1oA:
undetectable		 4azvA-2v1oA:
14.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vo1 CTP SYNTHASE 1

(Homo sapiens) 		PF06418
(CTP_synth_N) 		7 GLY A  15
ILE A  18
ILE A  19
LEU A 182
SER A 181
VAL A 180
ILE A 178
 SO4  A1273 (-3.1A)
None
None
None
None
None
None
 1.22A 4azvA-2vo1A:
undetectable		 4azvA-2vo1A:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wbn TERMINASE LARGE
SUBUNIT

(Bacillus phage
SPP1) 		PF17288
(Terminase_3C) 		5 GLY A 264
ALA A 404
ILE A 319
PHE A 409
ILE A 261
 None
 0.83A 4azvA-2wbnA:
undetectable		 4azvA-2wbnA:
17.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xa7 ADAPTOR-RELATED
PROTEIN COMPLEX 2,
ALPHA 2 SUBUNIT

(Rattus
norvegicus) 		PF01602
(Adaptin_N) 		5 ALA A  79
ASN A  81
ILE A 112
LEU A 101
ILE A 109
 None
 0.95A 4azvA-2xa7A:
undetectable		 4azvA-2xa7A:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y6p 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Aquifex
aeolicus) 		PF02348
(CTP_transf_3) 		5 GLY A 171
ILE A  89
ARG A   3
ILE A  90
ILE A 104
 None
 0.87A 4azvA-2y6pA:
3.0		 4azvA-2y6pA:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yk6 CMP-N-ACETYLNEURAMIN
ATE-BETA-GALACTOSAMI
DE-ALPHA-2,3-SIALYLT
RANSFERASE

(Neisseria
meningitidis) 		PF07922
(Glyco_transf_52) 		5 ALA A 325
ILE A 299
ILE A 303
VAL A 334
ILE A 307
 None
CDP  A1374 (-4.1A)
None
None
None
 1.00A 4azvA-2yk6A:
2.2		 4azvA-2yk6A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z8z LIPASE

(Pseudomonas sp.
MIS38) 		PF00353
(HemolysinCabind) 		5 GLY A 321
ALA A 317
ILE A 325
VAL A 342
ILE A 340
 None
 0.80A 4azvA-2z8zA:
undetectable		 4azvA-2z8zA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aq4 ADP-RIBOSYLATION
FACTOR 1

(Arabidopsis
thaliana) 		PF00025
(Arf) 		5 GLY A  29
ALA A  27
ILE A  33
VAL A  91
ILE A  89
 GDP  A 183 (-3.3A)
GDP  A 183 (-4.3A)
None
None
None
 0.87A 4azvA-3aq4A:
2.0		 4azvA-3aq4A:
15.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bj1 HEMOGLOBIN BETA

(Perca
flavescens) 		PF00042
(Globin) 		5 GLY B  24
ALA B  22
ILE B  67
LEU B  18
HIS B  69
 None
None
HEM  B 148 ( 4.4A)
None
None
 0.95A 4azvA-3bj1B:
undetectable		 4azvA-3bj1B:
12.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3do6 FORMATE--TETRAHYDROF
OLATE LIGASE

(Thermotoga
maritima) 		PF01268
(FTHFS) 		5 ALA A 456
ILE A 434
LEU A 511
SER A 497
VAL A 496
 EDO  A 544 ( 4.0A)
None
None
None
None
 0.90A 4azvA-3do6A:
undetectable		 4azvA-3do6A:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ebv CHINITASE A

(Streptomyces
coelicolor) 		PF00704
(Glyco_hydro_18) 		5 ALA A  29
ILE A  32
ILE A  33
VAL A  26
ILE A  23
 None
 0.93A 4azvA-3ebvA:
undetectable		 4azvA-3ebvA:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eeq PUTATIVE COBALAMIN
BIOSYNTHESIS PROTEIN
G HOMOLOG

(Sulfolobus
solfataricus) 		PF01890
(CbiG_C)
PF11760
(CbiG_N) 		6 GLY A 234
ILE A 231
ILE A 329
LEU A 239
VAL A 238
ILE A 321
 None
 1.49A 4azvA-3eeqA:
3.1		 4azvA-3eeqA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g6l CHITINASE

(Clonostachys
rosea) 		PF00704
(Glyco_hydro_18) 		5 ILE A 290
ILE A 289
LEU A 230
VAL A 284
ILE A 280
 None
 0.95A 4azvA-3g6lA:
2.1		 4azvA-3g6lA:
19.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h7t GROUP 3 ALLERGEN
SMIPP-S YVT004A06

(Sarcoptes
scabiei) 		PF00089
(Trypsin) 		5 GLY A  28
ALA A  15
ILE A  37
VAL A  18
ILE A  51
 None
 0.89A 4azvA-3h7tA:
undetectable		 4azvA-3h7tA:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3htx HEN1

(Arabidopsis
thaliana) 		PF13847
(Methyltransf_31) 		5 GLY A 721
ILE A 779
LEU A 795
VAL A 797
HIS A 800
 SAH  A 951 (-4.3A)
SAH  A 951 (-3.9A)
SAH  A 951 (-3.9A)
SAH  A 951 (-3.9A)
MG  A 950 ( 3.2A)
 0.79A 4azvA-3htxA:
14.6		 4azvA-3htxA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ihl CTP SYNTHASE 2

(Homo sapiens) 		PF06418
(CTP_synth_N) 		6 GLY A  15
ILE A  18
ILE A  19
SER A 181
VAL A 180
ILE A 178
 ADP  A 300 (-3.4A)
ADP  A 300 (-4.3A)
None
None
None
None
 0.76A 4azvA-3ihlA:
undetectable		 4azvA-3ihlA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3il3 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Haemophilus
influenzae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ALA A  58
ILE A 165
ASN A  61
ILE A  73
ILE A 100
 None
 0.93A 4azvA-3il3A:
undetectable		 4azvA-3il3A:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k2n SIGMA-54-DEPENDENT
TRANSCRIPTIONAL
REGULATOR

(Chlorobaculum
tepidum) 		PF13185
(GAF_2) 		6 GLY A 130
ILE A 129
PHE A  53
LEU A 119
SER A 133
ILE A 157
 None
 1.49A 4azvA-3k2nA:
undetectable		 4azvA-3k2nA:
14.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ldd CALCIUM-GATED
POTASSIUM CHANNEL
MTHK

(Methanothermobacter
thermautotrophicus) 		PF07885
(Ion_trans_2) 		5 GLY A  83
ILE A  84
ILE A  57
LEU A  26
VAL A  30
 None
 0.94A 4azvA-3lddA:
undetectable		 4azvA-3lddA:
11.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lrp ADP-RIBOSYLATION
FACTOR 1

(Plasmodium
falciparum) 		PF00025
(Arf) 		5 GLY A  29
ALA A  27
ILE A  33
VAL A  91
ILE A  89
 GDP  A 182 (-3.1A)
GDP  A 182 (-4.3A)
None
None
None
 0.91A 4azvA-3lrpA:
2.1		 4azvA-3lrpA:
14.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lvr ARF-GAP WITH SH3
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN 3,
ADP-RIBOSYLATION
FACTOR 6

(Homo sapiens;
synthetic
construct) 		PF00025
(Arf)
PF01412
(ArfGap)
PF12796
(Ank_2) 		5 GLY E  25
ALA E  23
ILE E  29
VAL E  87
ILE E  85
 GDP  E 737 (-3.2A)
GDP  E 737 ( 4.4A)
None
None
None
 0.84A 4azvA-3lvrE:
3.3		 4azvA-3lvrE:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mes CHOLINE KINASE

(Cryptosporidium
parvum) 		PF01633
(Choline_kinase) 		5 GLY A 176
ALA A 172
ILE A 180
LEU A 338
SER A 339
 None
 0.94A 4azvA-3mesA:
3.5		 4azvA-3mesA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mes CHOLINE KINASE

(Cryptosporidium
parvum) 		PF01633
(Choline_kinase) 		5 GLY A 176
ASN A 174
ILE A 180
LEU A 338
SER A 339
 None
 0.99A 4azvA-3mesA:
3.5		 4azvA-3mesA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mst PUTATIVE NITRATE
TRANSPORT PROTEIN

(Thermoplasma
volcanium) 		PF12916
(DUF3834) 		5 GLY A 159
ALA A 155
ILE A 160
VAL A  17
ILE A 174
 None
EDO  A 233 (-3.8A)
None
None
None
 0.92A 4azvA-3mstA:
undetectable		 4azvA-3mstA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nd6 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Enterococcus
faecalis) 		PF01467
(CTP_transf_like) 		6 ALA A  26
ILE A  33
ASN A  64
ILE A  34
LEU A  21
ILE A  55
 None
None
None
None
ATP  A 961 (-4.4A)
None
 1.18A 4azvA-3nd6A:
3.3		 4azvA-3nd6A:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3npk GERANYLTRANSTRANSFER
ASE

(Campylobacter
jejuni) 		PF00348
(polyprenyl_synt) 		5 GLY A 184
ALA A 180
LEU A  46
SER A  47
VAL A  48
 None
 0.91A 4azvA-3npkA:
undetectable		 4azvA-3npkA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nva CTP SYNTHASE

(Sulfolobus
solfataricus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 ALA A 136
ILE A 127
LEU A 140
VAL A  39
ILE A  90
 None
 0.94A 4azvA-3nvaA:
undetectable		 4azvA-3nvaA:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzq BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF02784
(Orn_Arg_deC_N) 		5 ALA A 346
ILE A 340
ILE A 339
VAL A 287
ILE A 283
 None
 0.97A 4azvA-3nzqA:
2.9		 4azvA-3nzqA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o47 ADP-RIBOSYLATION
FACTOR
GTPASE-ACTIVATING
PROTEIN 1,
ADP-RIBOSYLATION
FACTOR 1

(Homo sapiens) 		PF00025
(Arf)
PF01412
(ArfGap) 		5 GLY A 159
ALA A 157
ILE A 163
VAL A 221
ILE A 219
 GDP  A 502 (-3.2A)
GDP  A 502 (-4.4A)
None
None
None
 0.83A 4azvA-3o47A:
undetectable		 4azvA-3o47A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pbp NUCLEOPORIN
NUP116/NSP116

(Saccharomyces
cerevisiae) 		PF04096
(Nucleoporin2) 		5 GLY B1020
ASN B 967
ILE B1024
VAL B 995
ILE B1003
 None
 0.97A 4azvA-3pbpB:
undetectable		 4azvA-3pbpB:
13.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q58 N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Salmonella
enterica) 		PF04131
(NanE) 		5 GLY A 151
ALA A 131
ILE A 182
LEU A 154
SER A 134
 None
None
None
PEG  A 230 (-4.9A)
None
 0.89A 4azvA-3q58A:
undetectable		 4azvA-3q58A:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qi7 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Clostridioides
difficile) 		PF12683
(DUF3798) 		5 ILE A 100
ILE A 103
SER A 118
VAL A 117
ILE A 115
 None
 0.86A 4azvA-3qi7A:
3.0		 4azvA-3qi7A:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r38 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE 1

(Listeria
monocytogenes) 		PF00275
(EPSP_synthase) 		5 GLY A 380
ALA A 383
ILE A 377
VAL A   6
ILE A   4
 None
 0.95A 4azvA-3r38A:
undetectable		 4azvA-3r38A:
24.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s7z PUTATIVE ASPARTATE
RACEMASE

(Salmonella
enterica) 		PF01177
(Asp_Glu_race) 		5 ALA A 170
ILE A 178
VAL A 200
HIS A 203
ILE A 207
 None
 0.92A 4azvA-3s7zA:
undetectable		 4azvA-3s7zA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ALA C1089
LEU C1020
SER C1032
VAL C1031
ILE C1061
 None
 0.88A 4azvA-3sr6C:
undetectable		 4azvA-3sr6C:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t6c PUTATIVE MAND FAMILY
DEHYDRATASE

(Pantoea
ananatis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 103
ALA A 106
ILE A 101
VAL A 110
ILE A 305
 None
 0.93A 4azvA-3t6cA:
undetectable		 4azvA-3t6cA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uwa RIIA-RIIB
MEMBRANE-ASSOCIATED
PROTEIN

(Synechococcus
phage S-SSM7) 		PF01327
(Pep_deformylase) 		5 ILE A 136
PHE A 112
ILE A  57
VAL A  59
HIS A  71
 None
None
None
None
MRD  A 201 (-4.2A)
 0.99A 4azvA-3uwaA:
undetectable		 4azvA-3uwaA:
15.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v9f TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE
REGULATOR, HYBRID
(ONE-COMPONENT
SYSTEM)

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		5 GLY A 296
ALA A 330
ILE A 297
ASN A 329
ILE A 277
 None
 0.87A 4azvA-3v9fA:
2.6		 4azvA-3v9fA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w1z HEAT SHOCK PROTEIN
16

(Schizosaccharomyces
pombe) 		PF00011
(HSP20) 		5 ALA A 108
PHE A  17
ILE A 104
SER A  49
ILE A  39
 None
 0.88A 4azvA-3w1zA:
undetectable		 4azvA-3w1zA:
13.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w25 GLYCOSIDE HYDROLASE
FAMILY 10

(Thermoanaerobacterium
saccharolyticum) 		PF00331
(Glyco_hydro_10) 		5 ILE A 186
PHE A 185
ILE A 218
VAL A 245
ILE A 247
 None
 0.93A 4azvA-3w25A:
undetectable		 4azvA-3w25A:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ads PYRIDOXINE
BIOSYNTHETIC ENZYME
PDX1 HOMOLOGUE,
PUTATIVE

(Plasmodium
berghei) 		PF01680
(SOR_SNZ) 		6 GLY A 217
ALA A 155
ILE A 218
ILE A 160
HIS A 166
ILE A 164
 PO4  A 302 (-3.8A)
PO4  A 302 ( 4.1A)
None
None
None
None
 1.49A 4azvA-4adsA:
undetectable		 4azvA-4adsA:
22.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azv WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		11 GLY A  61
ALA A  63
ILE A  81
PHE A  83
ASN A  87
ILE A 110
LEU A 128
SER A 129
VAL A 130
HIS A 133
ILE A 134
 SAM  A1474 (-3.2A)
SAM  A1474 (-3.0A)
SAM  A1474 ( 4.5A)
SAM  A1474 (-3.6A)
SAM  A1474 (-3.7A)
SAM  A1474 (-3.8A)
SAM  A1474 (-4.3A)
SAM  A1474 ( 4.5A)
SAM  A1474 ( 3.4A)
SAM  A1474 (-3.8A)
SAM  A1474 ( 4.8A)
 0.01A 4azvA-4azvA:
58.9		 4azvA-4azvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azv WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		7 GLY A  61
ILE A  81
ARG A 109
ILE A 110
LEU A 128
VAL A 130
ILE A 134
 SAM  A1474 (-3.2A)
SAM  A1474 ( 4.5A)
SAM  A1474 (-4.8A)
SAM  A1474 (-3.8A)
SAM  A1474 (-4.3A)
SAM  A1474 ( 3.4A)
SAM  A1474 ( 4.8A)
 0.97A 4azvA-4azvA:
58.9		 4azvA-4azvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azw WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		12 GLY A  61
ALA A  63
ILE A  81
PHE A  83
ASN A  87
ARG A 109
ILE A 110
LEU A 128
SER A 129
VAL A 130
HIS A 133
ILE A 134
 SAM  A1451 (-3.6A)
SAM  A1451 (-3.7A)
None
SAM  A1451 (-3.5A)
SAM  A1451 (-4.0A)
SAM  A1451 (-3.9A)
SAM  A1451 (-4.0A)
SAM  A1451 (-4.1A)
SAM  A1451 (-4.5A)
SAM  A1451 (-4.6A)
None
None
 0.29A 4azvA-4azwA:
49.4		 4azvA-4azwA:
99.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dsq PEROXIREDOXIN TYPE-2

(Saccharomyces
cerevisiae) 		PF08534
(Redoxin) 		5 ILE A  51
ILE A  50
SER A 171
VAL A 172
HIS A 175
 None
 0.97A 4azvA-4dsqA:
undetectable		 4azvA-4dsqA:
15.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e7n SNAKE-VENOM
THROMBIN-LIKE ENZYME

(Gloydius halys) 		PF00089
(Trypsin) 		5 GLY A 142
ILE A 144
ILE A  16
SER A 195
ILE A 138
 None
 0.97A 4azvA-4e7nA:
undetectable		 4azvA-4e7nA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4egu HISTIDINE TRIAD
(HIT) PROTEIN

(Clostridioides
difficile) 		PF01230
(HIT) 		5 ILE A  70
ILE A  66
LEU A  28
VAL A  27
ILE A  62
 None
 0.93A 4azvA-4eguA:
2.5		 4azvA-4eguA:
11.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eht ACTIVATOR OF
2-HYDROXYISOCAPROYL-
COA DEHYDRATASE

(Clostridioides
difficile) 		PF01869
(BcrAD_BadFG) 		6 GLY A 128
ALA A 127
ILE A 100
SER A 199
VAL A 197
ILE A  98
 None
SF4  A 301 ( 4.4A)
None
None
None
None
 1.46A 4azvA-4ehtA:
undetectable		 4azvA-4ehtA:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f21 CARBOXYLESTERASE/PHO
SPHOLIPASE FAMILY
PROTEIN

(Francisella
tularensis) 		PF02230
(Abhydrolase_2) 		5 GLY A 118
ILE A 121
ILE A 120
LEU A 139
SER A 140
 None
 0.97A 4azvA-4f21A:
2.2		 4azvA-4f21A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fe4 XYLOSE OPERON
REGULATORY PROTEIN

(Escherichia
coli) 		PF12833
(HTH_18)
PF13377
(Peripla_BP_3) 		5 GLY A 186
ALA A 123
ILE A 216
PHE A 111
VAL A 119
 None
 0.97A 4azvA-4fe4A:
undetectable		 4azvA-4fe4A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fme ADP-RIBOSYLATION
FACTOR 6

(Homo sapiens) 		PF00025
(Arf) 		5 GLY C  25
ALA C  23
ILE C  29
VAL C  87
ILE C  85
 GTP  C 201 (-3.0A)
GTP  C 201 (-4.5A)
None
None
None
 0.89A 4azvA-4fmeC:
undetectable		 4azvA-4fmeC:
14.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4got METHIONINE-BINDING
LIPOPROTEIN METQ

(Bacillus
subtilis) 		PF03180
(Lipoprotein_9) 		5 ALA A 230
ILE A  45
LEU A 270
HIS A 253
ILE A 257
 None
 0.98A 4azvA-4gotA:
undetectable		 4azvA-4gotA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gps KLLA0E02245P

(Kluyveromyces
lactis) 		no annotation 5 ASN A 189
ILE A 257
LEU A 249
SER A 248
HIS A 246
 None
 0.98A 4azvA-4gpsA:
undetectable		 4azvA-4gpsA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hts SEC-INDEPENDENT
PROTEIN TRANSLOCASE
PROTEIN TATC

(Aquifex
aeolicus) 		PF00902
(TatC) 		5 GLY A  24
ALA A  28
ILE A  23
LEU A  69
ILE A  80
 None
 0.90A 4azvA-4htsA:
undetectable		 4azvA-4htsA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4htt SEC-INDEPENDENT
PROTEIN TRANSLOCASE
PROTEIN TATC,
LYSOZYME

(Escherichia
virus T4;
Aquifex
aeolicus) 		PF00902
(TatC) 		5 GLY A  24
ALA A  28
ILE A  23
LEU A  69
ILE A  80
 None
 0.94A 4azvA-4httA:
undetectable		 4azvA-4httA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ihc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Dickeya
paradisiaca) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 103
ALA A 106
ILE A 101
VAL A 110
ILE A 305
 None
 0.94A 4azvA-4ihcA:
undetectable		 4azvA-4ihcA:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l82 RIFEA.00250.A

(Rickettsia
felis) 		PF01613
(Flavin_Reduct) 		6 GLY A  34
ILE A  24
ILE A  23
LEU A  32
HIS A  85
ILE A  82
 None
None
None
None
CL  A 202 (-4.4A)
CL  A 202 ( 4.8A)
 1.04A 4azvA-4l82A:
undetectable		 4azvA-4l82A:
15.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4le1 TRANSCRIPTIONAL
REGULATORY PROTEIN
DESR

(Bacillus
subtilis) 		PF00072
(Response_reg) 		5 GLY A  18
ALA A  16
ILE A   4
LEU A  23
ILE A 113
 None
 0.98A 4azvA-4le1A:
3.3		 4azvA-4le1A:
14.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lgi UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		PF13678
(Peptidase_M85) 		5 ILE A 182
ILE A 185
SER A 162
VAL A 161
ILE A 108
 None
 0.98A 4azvA-4lgiA:
undetectable		 4azvA-4lgiA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mio INOSITOL
2-DEHYDROGENASE/D-CH
IRO-INOSITOL
3-DEHYDROGENASE

(Lactobacillus
casei) 		PF01408
(GFO_IDH_MocA) 		5 GLY A  14
ALA A  12
ILE A  18
VAL A  73
ILE A   8
 None
NAI  A 401 (-3.6A)
None
NAI  A 401 (-4.6A)
None
 0.93A 4azvA-4mioA:
5.1		 4azvA-4mioA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A 393
ALA A 389
SER A 447
VAL A 446
ILE A 460
 None
 0.92A 4azvA-4mz0A:
undetectable		 4azvA-4mz0A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pzv 2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE/DI
HYDROPTEROATE
SYNTHASE

(Francisella
tularensis) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		5 ALA A 168
ASN A 169
ILE A  18
SER A  38
ILE A   7
 None
 0.96A 4azvA-4pzvA:
2.3		 4azvA-4pzvA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q8r PHOSPHATE ABC
TRANSPORTER,
PHOSPHATE-BINDING
PROTEIN

(Clostridium
perfringens) 		PF12849
(PBP_like_2) 		5 GLY A 221
ILE A 225
ILE A  55
SER A   5
VAL A   6
 None
 1.00A 4azvA-4q8rA:
undetectable		 4azvA-4q8rA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r3u 2-HYDROXYISOBUTYRYL-
COA MUTASE SMALL
SUBUNIT

(Aquincola
tertiaricarbonis) 		PF02310
(B12-binding) 		6 ALA C  26
ILE C 122
ARG C 127
ILE C 126
LEU C   9
VAL C   8
 None
B12  C 800 (-4.4A)
None
None
None
None
 1.44A 4azvA-4r3uC:
4.4		 4azvA-4r3uC:
15.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ru4 TAIL SPIKE PROTEIN
GP49

(Pseudomonas
virus LKA1) 		PF13229
(Beta_helix) 		6 GLY A 389
ASN A 409
ILE A 380
LEU A 391
SER A 280
ILE A 267
 None
 1.48A 4azvA-4ru4A:
undetectable		 4azvA-4ru4A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rvh D-MYCAROSE
3-C-METHYLTRANSFERAS
E

(Streptomyces
argillaceus) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		5 GLY A 114
ILE A 134
VAL A 179
HIS A 182
ILE A 183
 SAH  A 502 (-3.5A)
None
SAH  A 502 (-4.2A)
3YN  A 503 (-3.9A)
SAH  A 502 (-4.2A)
 0.66A 4azvA-4rvhA:
13.2		 4azvA-4rvhA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xk8 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pisum sativum) 		PF02605
(PsaL) 		5 GLY L  85
ALA L  83
ILE L 144
LEU L  60
VAL L 147
 None
BCR  L 201 ( 3.9A)
None
None
None
 0.87A 4azvA-4xk8L:
undetectable		 4azvA-4xk8L:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xni DI-OR TRIPEPTIDE:H+
SYMPORTER

(Streptococcus
thermophilus) 		PF00854
(PTR2) 		5 GLY A  91
ALA A  87
ASN A 128
ILE A  95
ILE A 118
 None
 1.00A 4azvA-4xniA:
undetectable		 4azvA-4xniA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ylg ADP-RIBOSYLATION
FACTOR

(Entamoeba
histolytica) 		PF00025
(Arf) 		5 GLY A  25
ALA A  23
ILE A  29
VAL A  87
ILE A  85
 GDP  A 201 (-3.3A)
GDP  A 201 (-4.2A)
None
None
None
 0.85A 4azvA-4ylgA:
undetectable		 4azvA-4ylgA:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zv3 CYTOSOLIC ACYL
COENZYME A THIOESTER
HYDROLASE

(Mus musculus) 		PF03061
(4HBT) 		5 GLY A  88
ILE A  90
ILE A  91
VAL A 142
ILE A 132
 None
 0.91A 4azvA-4zv3A:
undetectable		 4azvA-4zv3A:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cle CHOLESTEROL ESTERASE

([Candida]
cylindracea) 		PF00135
(COesterase) 		4 TYR A 467
GLN A 240
ASP A 457
GLN A 137
 None
 1.30A 4azvA-1cleA:
undetectable		 4azvA-1cleA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1crl LIPASE

(Diutina rugosa) 		PF00135
(COesterase) 		4 TYR A 467
GLN A 240
ASP A 457
GLN A 137
 None
 1.31A 4azvA-1crlA:
1.9		 4azvA-1crlA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eu8 TREHALOSE/MALTOSE
BINDING PROTEIN

(Thermococcus
litoralis) 		PF01547
(SBP_bac_1) 		4 TYR A 121
ARG A  49
GLN A 322
GLU A  27
 TRE  A 563 (-4.5A)
TRE  A 563 (-3.9A)
None
None
 1.08A 4azvA-1eu8A:
undetectable		 4azvA-1eu8A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fch PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR

(Homo sapiens) 		PF13374
(TPR_10)
PF13432
(TPR_16) 		4 TYR A 518
GLN A 515
GLN A 549
GLU A 322
 None
 1.12A 4azvA-1fchA:
undetectable		 4azvA-1fchA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gz7 LIPASE 2

(Diutina rugosa) 		PF00135
(COesterase) 		4 TYR A 467
GLN A 240
ASP A 457
GLN A 137
 None
 1.25A 4azvA-1gz7A:
1.7		 4azvA-1gz7A:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h6d PRECURSOR FORM OF
GLUCOSE-FRUCTOSE
OXIDOREDUCTASE

(Zymomonas
mobilis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 TYR A 412
GLN A 409
ARG A 255
GLU A 180
 None
None
None
NDP  A 500 (-3.2A)
 1.30A 4azvA-1h6dA:
3.8		 4azvA-1h6dA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli) 		PF00476
(DNA_pol_A)
PF01612
(DNA_pol_A_exo1) 		4 TYR A 447
ARG A 821
ASP A 441
GLN A 419
 None
 1.23A 4azvA-1kspA:
undetectable		 4azvA-1kspA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lcs FELINE LEUKEMIA
VIRUS
RECEPTOR-BINDING
DOMAIN

(Feline leukemia
virus) 		PF00429
(TLV_coat) 		4 TYR A  62
GLN A  73
ASP A  65
GLN A  66
 None
 1.33A 4azvA-1lcsA:
undetectable		 4azvA-1lcsA:
15.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1urx BETA-AGARASE A

(Zobellia
galactanivorans) 		PF00722
(Glyco_hydro_16) 		4 TYR A  50
ASP A  22
GLN A  21
GLU A 123
 None
CA  A1300 (-3.0A)
None
None
 1.28A 4azvA-1urxA:
undetectable		 4azvA-1urxA:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5) 		4 ARG 1 275
ASP 1 388
GLN 1 405
GLU 1 435
 MN  1 602 ( 4.7A)
None
None
None
 1.31A 4azvA-1wao1:
undetectable		 4azvA-1wao1:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5) 		4 TYR 1  78
ARG 1 275
ASP 1 388
GLU 1 435
 None
MN  1 602 ( 4.7A)
None
None
 1.41A 4azvA-1wao1:
undetectable		 4azvA-1wao1:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wkb LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 GLN A 276
ARG A 278
ASP A 208
GLU A 425
 None
 1.49A 4azvA-1wkbA:
undetectable		 4azvA-1wkbA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wz2 LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 GLN A 276
ARG A 256
ASP A 208
GLU A 425
 None
 1.13A 4azvA-1wz2A:
undetectable		 4azvA-1wz2A:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yxa SERINE (OR CYSTEINE)
PROTEINASE
INHIBITOR, CLADE A,
MEMBER 3N

(Mus musculus) 		PF00079
(Serpin) 		4 GLN A 169
ARG A 144
ASP A 198
GLU A 323
 None
 1.42A 4azvA-1yxaA:
undetectable		 4azvA-1yxaA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zye THIOREDOXIN-DEPENDEN
T PEROXIDE REDUCTASE

(Bos taurus) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 TYR A 111
ASP A 102
GLN A 106
GLU A  23
 None
 1.10A 4azvA-1zyeA:
undetectable		 4azvA-1zyeA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b1p MITOGEN-ACTIVATED
PROTEIN KINASE 10

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLN A 100
ASP A 141
GLN A 140
GLU A  52
 None
 1.41A 4azvA-2b1pA:
2.6		 4azvA-2b1pA:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c0l PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR

(Homo sapiens) 		PF00515
(TPR_1)
PF13432
(TPR_16) 		4 TYR A 555
GLN A 552
GLN A 586
GLU A 359
 None
 1.25A 4azvA-2c0lA:
undetectable		 4azvA-2c0lA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c0y PROCATHEPSIN S

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 TYR A 191
ASP A 154
GLN A 196
GLU A 158
 None
 1.25A 4azvA-2c0yA:
undetectable		 4azvA-2c0yA:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gdu SUCROSE
PHOSPHORYLASE

(Bifidobacterium
adolescentis) 		PF00128
(Alpha-amylase)
PF09244
(DUF1964) 		4 TYR A 109
ARG A 150
ASP A 164
GLU A 200
 None
 1.27A 4azvA-2gduA:
undetectable		 4azvA-2gduA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nn3 CASPASE-1

(Spodoptera
frugiperda) 		PF00656
(Peptidase_C14) 		4 GLN C 234
ARG C 241
ASP C  85
GLN C 176
 None
 1.40A 4azvA-2nn3C:
2.9		 4azvA-2nn3C:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yvx MG2+ TRANSPORTER
MGTE

(Thermus
thermophilus) 		PF00571
(CBS)
PF01769
(MgtE)
PF03448
(MgtE_N) 		4 GLN A 215
ASP A  95
GLN A  98
GLU A 141
 None
 1.39A 4azvA-2yvxA:
undetectable		 4azvA-2yvxA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zzg ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		4 TYR A  84
GLN A 124
ASP A 354
GLU A 407
 None
 1.47A 4azvA-2zzgA:
undetectable		 4azvA-2zzgA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a9s D-ARABINOSE
ISOMERASE

(Aeribacillus
pallidus) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		4 TYR A 420
ARG A   6
ASP A 404
GLN A 409
 None
 1.40A 4azvA-3a9sA:
2.1		 4azvA-3a9sA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c37 PEPTIDASE, M48
FAMILY

(Geobacter
sulfurreducens) 		PF01435
(Peptidase_M48) 		4 TYR A 157
GLN A 119
GLN A 164
GLU A  61
 None
 1.44A 4azvA-3c37A:
undetectable		 4azvA-3c37A:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3chv PROKARYOTIC DOMAIN
OF UNKNOWN FUNCTION
(DUF849) WITH A TIM
BARREL FOLD

(Ruegeria
pomeroyi) 		PF05853
(BKACE) 		4 ARG A  55
ASP A 234
GLN A 214
GLU A 145
 None
 1.46A 4azvA-3chvA:
undetectable		 4azvA-3chvA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dls PAS
DOMAIN-CONTAINING
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLN A1253
ARG A1110
ASP A1101
GLU A1264
 None
 1.40A 4azvA-3dlsA:
10.3		 4azvA-3dlsA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fa5 PROTEIN OF UNKNOWN
FUNCTION (DUF849)

(Paracoccus
denitrificans) 		PF05853
(BKACE) 		4 ARG A  55
ASP A 235
GLN A 215
GLU A 145
 None
 1.35A 4azvA-3fa5A:
undetectable		 4azvA-3fa5A:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fhh OUTER MEMBRANE HEME
RECEPTOR SHUA

(Shigella
dysenteriae) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 TYR A 270
GLN A 250
ARG A 296
GLN A 246
 None
 1.43A 4azvA-3fhhA:
undetectable		 4azvA-3fhhA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h7n NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		PF11715
(Nup160) 		4 TYR A 668
ASP A 396
GLN A 390
GLU A 447
 None
 1.49A 4azvA-3h7nA:
undetectable		 4azvA-3h7nA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jwe MGLL PROTEIN

(Homo sapiens) 		PF12146
(Hydrolase_4) 		4 GLN A  38
ASP A 109
GLN A 112
GLU A 144
 None
 1.08A 4azvA-3jweA:
2.4		 4azvA-3jweA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mpg DIHYDROOROTASE

(Bacillus
anthracis) 		PF01979
(Amidohydro_1) 		4 TYR A 122
ASP A 150
GLN A 129
GLU A 180
 None
 1.34A 4azvA-3mpgA:
undetectable		 4azvA-3mpgA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3no5 UNCHARACTERIZED
PROTEIN

(Cupriavidus
pinatubonensis) 		PF05853
(BKACE) 		4 ARG A  51
ASP A 230
GLN A 210
GLU A 141
 None
 1.45A 4azvA-3no5A:
undetectable		 4azvA-3no5A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pig BETA-FRUCTOFURANOSID
ASE

(Bifidobacterium
longum) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 TYR A  40
ARG A  96
ASP A 465
GLU A 364
 None
 1.12A 4azvA-3pigA:
undetectable		 4azvA-3pigA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q41 GLUTAMATE [NMDA]
RECEPTOR SUBUNIT
ZETA-1

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		4 TYR A 351
GLN A 147
ARG A 124
GLU A 342
 None
 1.33A 4azvA-3q41A:
2.8		 4azvA-3q41A:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vtf UDP-GLUCOSE
6-DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 TYR A 393
GLN A 392
ASP A 373
GLN A 375
 None
 1.19A 4azvA-3vtfA:
5.0		 4azvA-3vtfA:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ac1 ENDO-N-ACETYL-BETA-D
-GLUCOSAMINIDASE

(Trichoderma
reesei) 		PF00704
(Glyco_hydro_18) 		4 GLN X 132
ASP X 129
GLN X 193
GLU X 260
 None
ACT  X1288 (-2.9A)
ZN  X1294 ( 2.5A)
None
 1.49A 4azvA-4ac1X:
undetectable		 4azvA-4ac1X:
18.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azv WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		6 TYR A  16
GLN A  17
ARG A  36
ASP A  82
GLN A  84
GLU A 111
 SAM  A1474 (-3.5A)
SAM  A1474 (-3.5A)
SAM  A1474 ( 3.1A)
SAM  A1474 (-1.7A)
SAM  A1474 (-3.9A)
SAM  A1474 (-2.5A)
 0.01A 4azvA-4azvA:
58.9		 4azvA-4azvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azw WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		6 TYR A  16
GLN A  17
ARG A  36
ASP A  82
GLN A  84
GLU A 111
 SAM  A1451 (-3.6A)
SAM  A1451 (-3.9A)
SAM  A1451 (-3.2A)
SAM  A1451 (-2.7A)
SAM  A1451 (-4.2A)
SAM  A1451 (-3.1A)
 0.42A 4azvA-4azwA:
49.4		 4azvA-4azwA:
99.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d4g APNAA1

(Planktothrix
agardhii) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLN A 376
ASP A 411
GLN A 413
GLU A 427
 None
None
ANP  A1489 ( 4.9A)
None
 1.48A 4azvA-4d4gA:
3.5		 4azvA-4d4gA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4djf CORRINOID/IRON-SULFU
R PROTEIN LARGE
SUBUNIT

(Moorella
thermoacetica) 		PF03599
(CdhD)
PF04060
(FeS) 		4 TYR C 126
GLN C 124
GLN C 129
GLU C  78
 None
 1.47A 4azvA-4djfC:
undetectable		 4azvA-4djfC:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fas HYDROXYLAMINE
OXIDOREDUCTASE

(Nitrosomonas
europaea) 		PF13447
(Multi-haem_cyto) 		4 TYR A  33
GLN A 236
ARG A 183
ASP A  59
 None
None
HEC  A 604 ( 4.3A)
None
 1.33A 4azvA-4fasA:
undetectable		 4azvA-4fasA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i9u L-LACTATE
DEHYDROGENASE A
CHAIN

(Oryctolagus
cuniculus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 GLN A 225
ARG A 176
ASP A 220
GLU A 310
 None
 1.49A 4azvA-4i9uA:
4.3		 4azvA-4i9uA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ivi CARBOXYLESTERASE

(uncultured
bacterium) 		PF00144
(Beta-lactamase) 		4 TYR A 218
ASP A 223
GLN A 296
GLU A 241
 None
 1.09A 4azvA-4iviA:
undetectable		 4azvA-4iviA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rl6 SACCHAROPINE
DEHYDROGENASE

(Streptococcus
pneumoniae) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 TYR A 109
GLN A 141
GLN A  88
GLU A  66
 None
None
NDP  A 501 (-3.5A)
None
 1.38A 4azvA-4rl6A:
undetectable		 4azvA-4rl6A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s17 GLUTAMINE SYNTHETASE

(Bifidobacterium
adolescentis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 GLN A  33
ASP A 241
GLN A 237
GLU A   5
 None
 1.10A 4azvA-4s17A:
undetectable		 4azvA-4s17A:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		4 TYR A 363
GLN A 365
ARG A 350
GLN A 147
 None
 1.14A 4azvA-4txgA:
undetectable		 4azvA-4txgA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v1u LYND

(Lyngbya
aestuarii) 		PF02624
(YcaO) 		4 TYR A 161
ASP A 159
GLN A 163
GLU A 124
 None
 1.37A 4azvA-4v1uA:
undetectable		 4azvA-4v1uA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wdr HALOALKANE
DEHALOGENASE

(Sphingobium
japonicum) 		PF00561
(Abhydrolase_1) 		4 GLN A 172
ASP A 147
GLN A 146
GLU A 132
 None
 1.32A 4azvA-4wdrA:
2.0		 4azvA-4wdrA:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ziu UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF07678
(A2M_comp) 		4 GLN A1345
ARG A1387
GLN A1309
GLU A1249
 None
 1.41A 4azvA-4ziuA:
undetectable		 4azvA-4ziuA:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a62 PUTATIVE ALPHA/BETA
HYDROLASE FOLD
PROTEIN

(Candidatus
Nitrososphaera
gargensis) 		PF00561
(Abhydrolase_1) 		4 TYR A 196
ARG A 141
ASP A 133
GLN A 130
 None
 1.23A 4azvA-5a62A:
2.6		 4azvA-5a62A:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA
METHYL-COENZYME M
REDUCTASE II,
SUBUNIT BETA

(Methanothermobacter
marburgensis;
Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
PF02240
(MCR_gamma) 		4 TYR A 446
ARG C 123
ASP A 449
GLU A 438
 None
COM  A 601 (-3.9A)
None
None
 1.34A 4azvA-5a8rA:
undetectable		 4azvA-5a8rA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gpr CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		4 GLN A 466
ARG A 165
ASP A 384
GLN A 397
 GLN  A 466 ( 0.6A)
ARG  A 165 ( 0.6A)
ASP  A 384 ( 0.5A)
GLN  A 397 ( 0.6A)
 1.31A 4azvA-5gprA:
undetectable		 4azvA-5gprA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ixm LPS-ASSEMBLY PROTEIN
LPTD
LPS-ASSEMBLY
LIPOPROTEIN LPTE

(Yersinia
pestis;
Yersinia pestis) 		PF04453
(OstA_C)
PF04390
(LptE) 		4 GLN B 130
ARG B 137
GLN B 125
GLU A 225
 None
 1.10A 4azvA-5ixmB:
undetectable		 4azvA-5ixmB:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k5m RNA DEPENDENT RNA
POLYMERASE

(Dengue virus) 		PF00972
(Flavi_NS5) 		4 GLN A 364
ARG A 362
ASP A 683
GLU A 616
 None
 1.33A 4azvA-5k5mA:
undetectable		 4azvA-5k5mA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kd5 METALLOPEPTIDASE

(Bacteroides
thetaiotaomicron) 		PF13402
(Peptidase_M60)
PF17291
(M60-like_N) 		4 TYR A 768
ARG A 758
ASP A 567
GLU A 575
 None
None
None
EDO  A 904 (-2.4A)
 1.47A 4azvA-5kd5A:
undetectable		 4azvA-5kd5A:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mjs TUBULIN BETA CHAIN

(Schizosaccharomyces
pombe) 		no annotation 4 GLN A   8
ASP A  67
GLN A  11
GLU A 108
 None
None
GDP  A 500 (-3.1A)
None
 1.35A 4azvA-5mjsA:
undetectable		 4azvA-5mjsA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oa3 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 2D

(Homo sapiens) 		no annotation 4 GLN 0 545
ARG 0 498
ASP 0 492
GLU 0 575
 None
 1.37A 4azvA-5oa30:
2.1		 4azvA-5oa30:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vhi 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 2

(Homo sapiens) 		PF00004
(AAA) 		4 GLN f  81
ARG f  80
ASP f 124
GLU f 182
 None
 1.48A 4azvA-5vhif:
undetectable		 4azvA-5vhif:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6aon DIHYDROLIPOYL
DEHYDROGENASE

(Bordetella
pertussis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 TYR A 383
ASP A 223
GLN A 225
GLU A 217
 None
None
None
CA  A 502 ( 4.8A)
 1.37A 4azvA-6aonA:
4.0		 4azvA-6aonA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b0i KINESIN-LIKE PROTEIN
KLP10A

(Drosophila
melanogaster) 		no annotation 4 GLN K 568
ASP K 572
GLN K 448
GLU K 577
 None
 1.38A 4azvA-6b0iK:
undetectable		 4azvA-6b0iK:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b0n ENVELOPE
GLYCOPROTEIN GP140

(Human
immunodeficiency
virus 1) 		no annotation 4 ARG G 151
ASP G 180
GLN G 422
GLU G 370
 NAG  G1133 ( 4.0A)
None
None
None
 0.96A 4azvA-6b0nG:
undetectable		 4azvA-6b0nG:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bfi VIN1

(Oscarella
pearsei) 		no annotation 4 GLN A 358
ARG A 365
ASP A 280
GLU A 680
 None
 1.26A 4azvA-6bfiA:
undetectable		 4azvA-6bfiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f8z ALPHA-1,2-MANNOSIDAS
E, PUTATIVE

(Bacteroides
thetaiotaomicron) 		no annotation 4 TYR A 313
ASP A 288
GLN A 292
GLU A 272
 None
 1.49A 4azvA-6f8zA:
undetectable		 4azvA-6f8zA:
undetectable