SIMILAR PATTERNS OF AMINO ACIDS FOR 3VAQ_A_ADNA401_2

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.
1air PECTATE LYASE C

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		4 LEU A 123
ALA A 101
PHE A 103
ASN A 146
 None
 1.50A 3vaqA-1airA:
undetectable		 3vaqA-1airA:
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.
1geg ACETOIN REDUCTASE

(Klebsiella
pneumoniae) 		PF00106
(adh_short) 		4 LEU A 170
ALA A 121
PHE A 125
ASN A 136
 None
 1.38A 3vaqA-1gegA:
6.6		 3vaqA-1gegA:
25.07
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.
1js6 DOPA DECARBOXYLASE

(Sus scrofa) 		PF00282
(Pyridoxal_deC) 		4 LEU A 153
ALA A 155
PHE A 238
ASN A 298
 None
 1.37A 3vaqA-1js6A:
3.9		 3vaqA-1js6A:
22.44
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.
1o8u 6-OXO CAMPHOR
HYDROLASE

(Rhodococcus
erythropolis) 		PF00378
(ECH_1) 		4 LEU A 164
ALA A 184
PHE A 140
ASN A 191
 None
 1.02A 3vaqA-1o8uA:
undetectable		 3vaqA-1o8uA:
21.85
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.
1oh9 ACETYLGLUTAMATE
KINASE

(Escherichia
coli) 		PF00696
(AA_kinase) 		4 LEU A 142
ALA A  92
PHE A  24
ASN A  85
 None
 1.18A 3vaqA-1oh9A:
undetectable		 3vaqA-1oh9A:
23.97
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.
1py5 TGF-BETA RECEPTOR
TYPE I

(Homo sapiens) 		PF00069
(Pkinase)
PF08515
(TGF_beta_GS) 		4 LEU A 288
ALA A 306
PHE A 408
ASN A 258
 None
 1.48A 3vaqA-1py5A:
undetectable		 3vaqA-1py5A:
21.79
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.
1r30 BIOTIN SYNTHASE

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		4 LEU A 291
ALA A 263
PHE A 285
ASN A 153
 DTB  A 502 ( 3.3A)
DTB  A 502 (-3.4A)
DTB  A 502 (-4.5A)
DTB  A 502 ( 3.7A)
 1.45A 3vaqA-1r30A:
2.5		 3vaqA-1r30A:
22.51
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.
1ttx ONCOMODULIN

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 LEU A  59
ALA A 100
PHE A  48
ASN A  92
 None
 1.27A 3vaqA-1ttxA:
undetectable		 3vaqA-1ttxA:
15.13
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.
1uyp BETA-FRUCTOSIDASE

(Thermotoga
maritima) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 LEU A  60
ALA A  63
PHE A  31
ASN A 112
 None
 1.37A 3vaqA-1uypA:
undetectable		 3vaqA-1uypA:
22.12
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.
1vdk FUMARATE HYDRATASE
CLASS II

(Thermus
thermophilus) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 LEU A  66
ALA A  56
PHE A 242
ASN A 108
 None
 1.47A 3vaqA-1vdkA:
undetectable		 3vaqA-1vdkA:
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.
1vki HYPOTHETICAL PROTEIN
ATU3699

(Agrobacterium
fabrum) 		PF04073
(tRNA_edit) 		4 LEU A 138
ALA A 111
PHE A 154
ASN A  51
 None
 1.49A 3vaqA-1vkiA:
undetectable		 3vaqA-1vkiA:
19.84
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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 LEU A 397
ALA A 390
PHE A 333
ASN A  91
 None
 1.27A 3vaqA-1xc6A:
undetectable		 3vaqA-1xc6A:
16.94
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.
1zpv ACT DOMAIN PROTEIN

(Streptococcus
pneumoniae) 		PF13740
(ACT_6) 		4 LEU A  28
ALA A   3
PHE A  56
ASN A  -2
 None
 1.33A 3vaqA-1zpvA:
undetectable		 3vaqA-1zpvA:
14.05
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.
2dj6 HYPOTHETICAL PROTEIN
PH0634

(Pyrococcus
horikoshii) 		PF01242
(PTPS) 		4 LEU A  63
ALA A  13
PHE A  31
ASN A  69
 LEU  A  63 ( 0.5A)
ALA  A  13 ( 0.0A)
PHE  A  31 ( 1.3A)
ASN  A  69 ( 0.6A)
 1.49A 3vaqA-2dj6A:
undetectable		 3vaqA-2dj6A:
16.53
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.
2guh PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N) 		4 LEU A  98
ALA A 158
PHE A  94
ASN A 107
 None
EDO  A 505 ( 4.9A)
EDO  A 505 (-3.8A)
None
 0.95A 3vaqA-2guhA:
undetectable		 3vaqA-2guhA:
23.12
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.
2hcm DUAL SPECIFICITY
PROTEIN PHOSPHATASE

(Mus musculus) 		PF00782
(DSPc) 		4 LEU A 142
ALA A 103
PHE A 122
ASN A 135
 None
None
GOL  A 369 (-4.0A)
None
 1.50A 3vaqA-2hcmA:
undetectable		 3vaqA-2hcmA:
18.26
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.
2hh9 THIAMIN
PYROPHOSPHOKINASE

(Candida
albicans) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		4 LEU A  54
ALA A 199
PHE A 228
ASN A 141
 None
 1.28A 3vaqA-2hh9A:
3.1		 3vaqA-2hh9A:
22.84
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.
2hqb TRANSCRIPTIONAL
ACTIVATOR OF COMK
GENE

(Bacillus
halodurans) 		PF02608
(Bmp) 		4 LEU A 240
ALA A 232
PHE A  62
ASN A  59
 None
 1.49A 3vaqA-2hqbA:
3.2		 3vaqA-2hqbA:
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.
2i80 D-ALANINE-D-ALANINE
LIGASE

(Staphylococcus
aureus) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		4 LEU A  22
ALA A 315
PHE A 316
ASN A  29
 None
 1.34A 3vaqA-2i80A:
2.3		 3vaqA-2i80A:
23.26
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.
2o2q FORMYLTETRAHYDROFOLA
TE DEHYDROGENASE

(Rattus
norvegicus) 		PF00171
(Aldedh) 		4 LEU A 680
ALA A 835
PHE A 859
ASN A 706
 None
None
None
GOL  A   1 (-3.3A)
 1.27A 3vaqA-2o2qA:
2.1		 3vaqA-2o2qA:
25.33
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.
2o3e NEUROLYSIN

(Rattus
norvegicus) 		PF01432
(Peptidase_M3) 		4 LEU A 449
ALA A 427
PHE A 429
ASN A 452
 None
 1.48A 3vaqA-2o3eA:
undetectable		 3vaqA-2o3eA:
19.85
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.
2prz OROTATE
PHOSPHORIBOSYLTRANSF
ERASE 1

(Saccharomyces
cerevisiae) 		PF00156
(Pribosyltran) 		4 LEU A  48
ALA A  15
PHE A  11
ASN A  39
 None
 1.37A 3vaqA-2przA:
undetectable		 3vaqA-2przA:
21.57
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.
2qy1 PECTATE LYASE II

(Xanthomonas
campestris) 		PF00544
(Pec_lyase_C) 		4 LEU A 130
ALA A 107
PHE A 109
ASN A 157
 None
 1.49A 3vaqA-2qy1A:
undetectable		 3vaqA-2qy1A:
22.43
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.
2r7y RIBONUCLEASE H

(Bacillus
halodurans) 		no annotation 4 LEU A 117
ALA A 165
PHE A 110
ASN A 170
 None
 1.32A 3vaqA-2r7yA:
undetectable		 3vaqA-2r7yA:
17.72
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.
2v5i SALMONELLA
TYPHIMURIUM DB7155
BACTERIOPHAGE DET7
TAILSPIKE

(unidentified
phage) 		PF09251
(PhageP22-tail) 		4 LEU A 486
ALA A 510
PHE A 517
ASN A 469
 None
 1.36A 3vaqA-2v5iA:
undetectable		 3vaqA-2v5iA:
21.35
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.
2yfh GLUTAMATE
DEHYDROGENASE,
NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE,
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli;
[Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 LEU A 364
ALA A 366
PHE A 217
ASN A 424
 None
 1.46A 3vaqA-2yfhA:
undetectable		 3vaqA-2yfhA:
21.24
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.
2z3k LEUCYL/PHENYLALANYL-
TRNA-PROTEIN
TRANSFERASE

(Escherichia
coli) 		PF03588
(Leu_Phe_trans) 		4 LEU A 219
ALA A 148
PHE A 153
ASN A  92
 None
 1.30A 3vaqA-2z3kA:
undetectable		 3vaqA-2z3kA:
19.53
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.
3a28 L-2.3-BUTANEDIOL
DEHYDROGENASE

(Corynebacterium
glutamicum) 		no annotation 4 LEU C 172
ALA C 123
PHE C 127
ASN C 138
 None
 1.31A 3vaqA-3a28C:
6.3		 3vaqA-3a28C:
22.52
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.
3esh PROTEIN SIMILAR TO
METAL-DEPENDENT
HYDROLASE

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		4 LEU A  11
ALA A  64
PHE A 126
ASN A  68
 None
 1.29A 3vaqA-3eshA:
undetectable		 3vaqA-3eshA:
22.28
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.
3fw8 RETICULINE OXIDASE

(Eschscholzia
californica) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 LEU A 437
ALA A 421
PHE A 386
ASN A  60
 None
 1.23A 3vaqA-3fw8A:
undetectable		 3vaqA-3fw8A:
20.70
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.
3gcf TERMINAL OXYGENASE
COMPONENT OF
CARBAZOLE
1,9A-DIOXYGENASE

(Nocardioides
aromaticivorans) 		PF00355
(Rieske)
PF11723
(Aromatic_hydrox) 		4 LEU A  55
ALA A  27
PHE A  31
ASN A 176
 None
 1.24A 3vaqA-3gcfA:
undetectable		 3vaqA-3gcfA:
21.51
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.
3lfl GLUTATHIONE
S-TRANSFERASE
OMEGA-1

(Homo sapiens) 		PF13417
(GST_N_3)
PF14497
(GST_C_3) 		4 LEU A  56
ALA A 235
PHE A 224
ASN A 231
 GSH  A 241 (-3.7A)
None
None
None
 1.39A 3vaqA-3lflA:
undetectable		 3vaqA-3lflA:
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.
3lst CALO1
METHYLTRANSFERASE

(Micromonospora
echinospora) 		PF00891
(Methyltransf_2) 		4 LEU A 144
ALA A 305
PHE A 118
ASN A 256
 None
 1.11A 3vaqA-3lstA:
3.8		 3vaqA-3lstA:
22.25
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.
3mv3 COATOMER SUBUNIT
EPSILON

(Saccharomyces
cerevisiae) 		PF04733
(Coatomer_E) 		4 LEU B 133
ALA B 167
PHE B 145
ASN B 183
 None
 1.27A 3vaqA-3mv3B:
undetectable		 3vaqA-3mv3B:
23.44
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.
3nap CAPSID PROTEIN

(Triatoma virus) 		PF00073
(Rhv) 		4 LEU C  56
ALA C 252
PHE C 256
ASN C  64
 None
 1.47A 3vaqA-3napC:
undetectable		 3vaqA-3napC:
20.37
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.
3qna 6-CARBOXY-5,6,7,8-TE
TRAHYDROPTERIN
SYNTHASE

(Escherichia
coli) 		PF01242
(PTPS) 		4 LEU A  68
ALA A  13
PHE A  34
ASN A  74
 None
 1.33A 3vaqA-3qnaA:
undetectable		 3vaqA-3qnaA:
21.37
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.
3r0o CARNITINYL-COA
DEHYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		4 LEU A 159
ALA A 179
PHE A 136
ASN A 186
 None
 1.40A 3vaqA-3r0oA:
undetectable		 3vaqA-3r0oA:
21.50
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.
3r9s CARNITINYL-COA
DEHYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		4 LEU A 153
ALA A 173
PHE A 130
ASN A 180
 None
 1.40A 3vaqA-3r9sA:
undetectable		 3vaqA-3r9sA:
21.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		4 LEU A  16
ALA A  65
PHE A 169
ASN A 298
 ADN  A 401 (-4.7A)
ADN  A 401 (-3.8A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
 0.12A 3vaqA-3vasA:
63.2		 3vaqA-3vasA:
99.46
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.
3vvd AMINO ACID ABC
TRANSPORTER, BINDING
PROTEIN

(Thermus
thermophilus) 		PF00497
(SBP_bac_3) 		4 LEU A 205
ALA A 196
PHE A  91
ASN A  68
 None
 1.00A 3vaqA-3vvdA:
undetectable		 3vaqA-3vvdA:
24.54
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.
4jwv SHORT CHAIN
ENOYL-COA HYDRATASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		4 LEU A 150
ALA A 170
PHE A 127
ASN A 177
 None
 1.15A 3vaqA-4jwvA:
undetectable		 3vaqA-4jwvA:
23.50
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.
4np4 TOXIN B

(Clostridioides
difficile) 		PF01473
(CW_binding_1) 		4 LEU A2100
ALA A2097
PHE A2090
ASN A2061
 None
 1.45A 3vaqA-4np4A:
undetectable		 3vaqA-4np4A:
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.
4ntm 6-CARBOXY-5,6,7,8-TE
TRAHYDROPTERIN
SYNTHASE

(Escherichia
coli) 		PF01242
(PTPS) 		4 LEU A  69
ALA A  14
PHE A  35
ASN A  75
 None
 1.34A 3vaqA-4ntmA:
undetectable		 3vaqA-4ntmA:
18.45
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.
4oe6 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00171
(Aldedh) 		4 LEU A 220
ALA A 215
PHE A 169
ASN A 212
 None
 1.37A 3vaqA-4oe6A:
3.2		 3vaqA-4oe6A:
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.
4rct RESTRICTION
ENDONUCLEASE
R.NGOVII

(Neisseria
gonorrhoeae) 		PF09565
(RE_NgoFVII) 		4 LEU A 244
ALA A 211
PHE A 341
ASN A 220
 None
 1.35A 3vaqA-4rctA:
undetectable		 3vaqA-4rctA:
25.00
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.
4rdm RESTRICTION
ENDONUCLEASE
R.NGOVII

(Neisseria
gonorrhoeae) 		PF09565
(RE_NgoFVII) 		4 LEU A 244
ALA A 211
PHE A 341
ASN A 220
 None
 1.33A 3vaqA-4rdmA:
undetectable		 3vaqA-4rdmA:
17.65
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.
4ww3 RHODOPSIN

(Todarodes
pacificus) 		PF00001
(7tm_1) 		4 LEU A 165
ALA A 167
PHE A 120
ASN A 200
 None
None
RET  A 401 (-4.0A)
None
 1.39A 3vaqA-4ww3A:
undetectable		 3vaqA-4ww3A:
21.23
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.
4ycr TELLURITE RESISTANCE
PROTEIN TEHA HOMOLOG

(Haemophilus
influenzae) 		PF03595
(SLAC1) 		4 LEU A 298
ALA A 259
PHE A 260
ASN A 254
 None
BOG  A 401 (-4.0A)
None
None
 1.28A 3vaqA-4ycrA:
undetectable		 3vaqA-4ycrA:
22.87
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.
5a2r ANGIOTENSIN-CONVERTI
NG ENZYME

(Drosophila
melanogaster) 		PF01401
(Peptidase_M2) 		4 LEU A 556
ALA A 567
PHE A 393
ASN A 572
 None
 1.37A 3vaqA-5a2rA:
1.8		 3vaqA-5a2rA:
20.66
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.
5fif CARBOXYLASE

(Deinococcus
radiodurans) 		PF01039
(Carboxyl_trans) 		4 LEU A 377
ALA A 416
PHE A 414
ASN A 345
 None
 1.49A 3vaqA-5fifA:
4.9		 3vaqA-5fifA:
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.
5hdm GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
1, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00202
(Aminotran_3) 		4 LEU A  44
ALA A  20
PHE A  17
ASN A  29
 None
 1.38A 3vaqA-5hdmA:
undetectable		 3vaqA-5hdmA:
22.98
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.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 LEU A 396
ALA A 389
PHE A 332
ASN A  91
 None
 1.26A 3vaqA-5ihrA:
0.6		 3vaqA-5ihrA:
16.48
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.
5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)

(Parageobacillus
thermoglucosidasius) 		PF00171
(Aldedh) 		4 LEU A 346
ALA A 348
PHE A 359
ASN A 302
 None
 1.34A 3vaqA-5j78A:
3.5		 3vaqA-5j78A:
26.47
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.
5m1m MATRIX PROTEIN 1

(Influenza C
virus) 		PF03026
(CM1) 		4 LEU A   6
ALA A 146
PHE A 104
ASN A 152
 None
 1.44A 3vaqA-5m1mA:
undetectable		 3vaqA-5m1mA:
18.38
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.
5mkk MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN

(Thermus
thermophilus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 LEU A 220
ALA A 215
PHE A 239
ASN B 123
 None
 1.47A 3vaqA-5mkkA:
undetectable		 3vaqA-5mkkA:
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.
5n8n EVPB FAMILY TYPE VI
SECRETION PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 LEU B 315
ALA B 363
PHE B 361
ASN B 289
 None
 1.50A 3vaqA-5n8nB:
1.6		 3vaqA-5n8nB:
11.59
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.
5u6b TYROSINE-PROTEIN
KINASE RECEPTOR UFO

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 620
ALA A 689
PHE A 691
ASN A 681
 7YS  A9001 (-4.2A)
7YS  A9001 (-3.4A)
None
None
 1.43A 3vaqA-5u6bA:
undetectable		 3vaqA-5u6bA:
22.60
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.
5wai POLYCOMB PROTEIN
SUZ12

(Homo sapiens) 		no annotation 4 LEU B  87
ALA B  89
PHE B  90
ASN B 435
 None
 1.22A 3vaqA-5waiB:
undetectable		 3vaqA-5waiB:
11.08
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.
5y7r IRON/ALPHA-KETOGLUTA
RATE-DEPENDENT
DIOXYGENASE ASQJ

(Aspergillus
nidulans) 		no annotation 4 LEU B 226
ALA B 202
PHE B  38
ASN B 157
 None
None
None
58K  B 403 ( 3.7A)
 1.25A 3vaqA-5y7rB:
undetectable		 3vaqA-5y7rB:
13.29
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.
5ys9 ACYL-COENZYME A
OXIDASE 3

(Yarrowia
lipolytica) 		no annotation 4 LEU A 233
ALA A 212
PHE A 129
ASN A 275
 None
 1.33A 3vaqA-5ys9A:
undetectable		 3vaqA-5ys9A:
12.72