SIMILAR PATTERNS OF AMINO ACIDS FOR 3VAS_B_ADNB401_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.
1brr PROTEIN
(BACTERIORHODOPSIN)

(Halobacterium
salinarum) 		PF01036
(Bac_rhodopsin) 		4 LEU A 224
ALA A 228
THR A  46
PHE A  42
 None
 1.25A 3vasB-1brrA:
undetectable		 3vasB-1brrA:
22.47
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.
1c0a ASPARTYL TRNA
SYNTHETASE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		4 ALA A 469
MET A 495
THR A 498
PHE A 436
 None
 1.39A 3vasB-1c0aA:
undetectable		 3vasB-1c0aA:
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.
1fxk PROTEIN (PREFOLDIN)

(Methanothermobacter
thermautotrophicus) 		PF02996
(Prefoldin) 		4 LEU C 104
ALA C  30
MET C 111
THR C 107
 None
 1.35A 3vasB-1fxkC:
undetectable		 3vasB-1fxkC:
18.34
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.
1g0d PROTEIN-GLUTAMINE
GAMMA-GLUTAMYLTRANSF
ERASE

(Pagrus major) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		4 LEU A 192
ALA A 198
MET A 222
THR A 218
 None
 1.33A 3vasB-1g0dA:
undetectable		 3vasB-1g0dA:
20.61
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.
1gg4 UDP-N-ACETYLMURAMOYL
ALANYL-D-GLUTAMYL-2,
6-DIAMINOPIMELATE-D-
ALANYL-D-ALANYL
LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 LEU A 300
ALA A 290
THR A 268
PHE A 248
 None
 1.02A 3vasB-1gg4A:
5.0		 3vasB-1gg4A:
24.18
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.
1khh GUANIDINOACETATE
METHYLTRANSFERASE

(Rattus
norvegicus) 		no annotation 4 LEU A  52
ALA A  54
MET A 211
THR A 229
 None
 1.41A 3vasB-1khhA:
2.8		 3vasB-1khhA:
17.25
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.
1otk PHENYLACETIC ACID
DEGRADATION PROTEIN
PAAC

(Escherichia
coli) 		PF05138
(PaaA_PaaC) 		4 LEU A  23
ALA A  38
THR A  94
PHE A 137
 None
 1.09A 3vasB-1otkA:
undetectable		 3vasB-1otkA:
20.79
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		4 LEU H  63
ALA H  80
THR H  37
PHE H  76
 None
 1.40A 3vasB-1q5qH:
undetectable		 3vasB-1q5qH:
22.11
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.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		4 LEU H  63
ALA H  80
THR H  37
PHE H  76
 None
 1.35A 3vasB-1q5rH:
undetectable		 3vasB-1q5rH:
22.66
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.
1s4f RNA-DEPENDENT RNA
POLYMERASE

(Pestivirus A) 		PF00998
(RdRP_3) 		4 LEU A 458
ALA A 441
THR A 430
PHE A 437
 None
 1.25A 3vasB-1s4fA:
undetectable		 3vasB-1s4fA:
20.84
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.
1ti3 THIOREDOXIN H

(Populus tremula) 		PF00085
(Thioredoxin) 		4 LEU A  68
ALA A  72
THR A  14
PHE A  33
 None
 1.37A 3vasB-1ti3A:
undetectable		 3vasB-1ti3A:
18.91
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.
1tyj CELLULOSOMAL
SCAFFOLDIN

(Pseudobacteroides
cellulosolvens) 		PF00963
(Cohesin) 		4 LEU A  21
ALA A 112
THR A   6
PHE A  36
 None
 1.36A 3vasB-1tyjA:
undetectable		 3vasB-1tyjA:
19.78
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.
1xcj GUANIDINOACETATE
N-METHYLTRANSFERASE

(Rattus
norvegicus) 		no annotation 4 LEU A  52
ALA A  54
MET A 211
THR A 229
 None
 1.36A 3vasB-1xcjA:
4.6		 3vasB-1xcjA:
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.
1ypf GMP REDUCTASE

(Bacillus
anthracis) 		PF00478
(IMPDH) 		4 LEU A  86
ALA A  88
THR A  55
PHE A  77
 None
 1.37A 3vasB-1ypfA:
undetectable		 3vasB-1ypfA:
23.82
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.
1zpu IRON TRANSPORT
MULTICOPPER OXIDASE
FET3

(Saccharomyces
cerevisiae) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 LEU A  99
ALA A  91
MET A 371
THR A 369
 None
 1.35A 3vasB-1zpuA:
undetectable		 3vasB-1zpuA:
19.89
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.
2bjs ISOPENICILLIN N
SYNTHETASE

(Aspergillus
nidulans) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		4 LEU A 157
ALA A 161
MET A 257
PHE A 170
 None
 1.20A 3vasB-2bjsA:
undetectable		 3vasB-2bjsA:
21.11
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.
2dpy FLAGELLUM-SPECIFIC
ATP SYNTHASE

(Salmonella
enterica) 		PF00006
(ATP-synt_ab) 		4 LEU A 159
ALA A 324
MET A 195
THR A 199
 None
 1.04A 3vasB-2dpyA:
undetectable		 3vasB-2dpyA:
20.26
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.
2fv0 UNSATURATED
GLUCURONYL HYDROLASE

(Bacillus sp.
GL1) 		PF07470
(Glyco_hydro_88) 		4 LEU A 289
ALA A 224
THR A 313
PHE A 253
 None
 1.24A 3vasB-2fv0A:
undetectable		 3vasB-2fv0A:
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.
2gv8 MONOOXYGENASE

(Schizosaccharomyces
pombe) 		PF00743
(FMO-like)
PF13450
(NAD_binding_8) 		4 LEU A  25
ALA A  27
THR A  21
PHE A 417
 None
 1.37A 3vasB-2gv8A:
3.4		 3vasB-2gv8A:
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.
2iuc ALKALINE PHOSPHATASE

(Antarctic
bacterium TAB5) 		PF00245
(Alk_phosphatase) 		4 LEU B 231
ALA B 234
MET B 220
THR B 130
 None
 1.37A 3vasB-2iucB:
undetectable		 3vasB-2iucB:
21.31
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.
2lbp LEUCINE-BINDING
PROTEIN

(Escherichia
coli) 		PF13458
(Peripla_BP_6) 		4 LEU A 318
ALA A 290
MET A 115
THR A 117
 None
 1.06A 3vasB-2lbpA:
undetectable		 3vasB-2lbpA:
23.23
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.
2mna SINGLE-STRANDED DNA
BINDING PROTEIN
(SSB)

(Sulfolobus
solfataricus) 		PF01336
(tRNA_anti-codon) 		4 LEU A   8
ALA A 114
MET A  12
THR A  76
 None
 1.35A 3vasB-2mnaA:
undetectable		 3vasB-2mnaA:
20.92
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.
2o7p RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBD

(Escherichia
coli) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		4 LEU A 333
ALA A 305
MET A 163
THR A 161
 None
None
NAP  A 402 (-3.5A)
NAP  A 402 (-4.2A)
 1.14A 3vasB-2o7pA:
undetectable		 3vasB-2o7pA:
19.86
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.
2wgy CYTOCHROME P450 130

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		4 ALA A 357
MET A 251
THR A 247
PHE A 347
 SO4  A1412 ( 4.8A)
HEM  A 450 ( 3.8A)
HEM  A 450 (-3.6A)
HEM  A 450 ( 4.8A)
 1.37A 3vasB-2wgyA:
undetectable		 3vasB-2wgyA:
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.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		4 LEU A 155
ALA A  78
MET A 186
THR A 189
 None
 1.40A 3vasB-2wyxA:
undetectable		 3vasB-2wyxA:
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.
2wzf GLUCOSYLTRANSFERASE

(Legionella
pneumophila) 		PF16849
(Glyco_transf_88) 		4 ALA A 298
MET A 308
THR A 305
PHE A 130
 None
 1.25A 3vasB-2wzfA:
undetectable		 3vasB-2wzfA:
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.
2wzg GLUCOSYLTRANSFERASE

(Legionella
pneumophila) 		PF16849
(Glyco_transf_88) 		4 ALA A 298
MET A 308
THR A 305
PHE A 130
 None
 1.28A 3vasB-2wzgA:
undetectable		 3vasB-2wzgA:
20.99
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.
2xsr CATECHOL 1,2
DIOXYGENASE

(Acinetobacter
radioresistens) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		4 LEU A  70
ALA A  72
THR A 203
PHE A 248
 PIE  A1308 ( 4.3A)
None
None
None
 1.24A 3vasB-2xsrA:
undetectable		 3vasB-2xsrA:
24.03
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.
3b5e MLL8374 PROTEIN

(Mesorhizobium
japonicum) 		no annotation 4 LEU A  21
ALA A 101
THR A  57
PHE A  33
 None
 1.38A 3vasB-3b5eA:
4.6		 3vasB-3b5eA:
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.
3bdz P450CIN

(Citrobacter
braakii) 		PF00067
(p450) 		4 LEU A 290
ALA A 308
THR A 292
PHE A  71
 None
 1.36A 3vasB-3bdzA:
undetectable		 3vasB-3bdzA:
21.55
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.
3fk9 MUTATOR MUTT PROTEIN

(Bacillus
halodurans) 		PF00293
(NUDIX) 		4 LEU A 144
ALA A 115
MET A  66
PHE A 142
 None
 1.34A 3vasB-3fk9A:
undetectable		 3vasB-3fk9A:
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.
3gcg L0028 (MITOCHONDRIA
ASSOCIATED PROTEIN)

(Escherichia
coli) 		PF03278
(IpaB_EvcA) 		4 LEU B  59
ALA B  61
THR B  55
PHE B 134
 None
 1.34A 3vasB-3gcgB:
undetectable		 3vasB-3gcgB:
17.35
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.
3git CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF03598
(CdhC) 		4 LEU A 587
ALA A 603
MET A 729
PHE A 644
 None
 1.33A 3vasB-3gitA:
undetectable		 3vasB-3gitA:
21.32
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.
3h5t TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Corynebacterium
glutamicum) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		4 LEU A  19
ALA A  17
MET A  51
THR A  47
 None
 1.40A 3vasB-3h5tA:
3.5		 3vasB-3h5tA:
20.53
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.
3h75 PERIPLASMIC
SUGAR-BINDING DOMAIN
PROTEIN

(Pseudomonas
protegens) 		PF13407
(Peripla_BP_4) 		4 LEU A 185
ALA A 256
THR A 242
PHE A 273
 None
 1.41A 3vasB-3h75A:
2.5		 3vasB-3h75A:
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.
3hka URONATE ISOMERASE

(Bacillus
halodurans) 		no annotation 4 LEU A  77
ALA A  65
MET A  56
THR A  59
 None
 1.11A 3vasB-3hkaA:
undetectable		 3vasB-3hkaA:
20.22
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.
3izk CHAPERONIN

(Methanococcus
maripaludis) 		PF00118
(Cpn60_TCP1) 		4 LEU A 164
ALA A 355
MET A 339
THR A 200
 None
 1.06A 3vasB-3izkA:
undetectable		 3vasB-3izkA:
22.63
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.
3jz4 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
[NADP+]

(Escherichia
coli) 		PF00171
(Aldedh) 		4 LEU A  75
ALA A 166
MET A  82
PHE A 205
 None
 1.21A 3vasB-3jz4A:
undetectable		 3vasB-3jz4A:
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.
3khp MAOC FAMILY PROTEIN

(Mycobacterium
tuberculosis) 		PF01575
(MaoC_dehydratas)
PF13452
(MaoC_dehydrat_N) 		4 LEU A 221
ALA A 223
MET A 171
THR A 252
 None
 1.37A 3vasB-3khpA:
undetectable		 3vasB-3khpA:
23.62
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.
3l01 GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		4 LEU A 171
ALA A 166
THR A 182
PHE A 133
 MTT  A5360 (-4.0A)
None
MTT  A5360 (-2.9A)
None
 1.22A 3vasB-3l01A:
3.0		 3vasB-3l01A:
21.06
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.
3lcc PUTATIVE METHYL
CHLORIDE TRANSFERASE

(Arabidopsis
thaliana) 		PF05724
(TPMT) 		4 LEU A 167
ALA A 154
THR A 169
PHE A 142
 None
 1.32A 3vasB-3lccA:
2.6		 3vasB-3lccA:
20.49
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.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		4 LEU A 165
ALA A  91
MET A 199
THR A 202
 None
 1.33A 3vasB-3lezA:
undetectable		 3vasB-3lezA:
23.47
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.
3lwx NADH:UBIQUINONE
OXIDOREDUCTASE, NA
TRANSLOCATING, C
SUBUNIT

(Parabacteroides
distasonis) 		PF04205
(FMN_bind) 		4 LEU A 117
ALA A 115
THR A 132
PHE A 146
 None
 1.39A 3vasB-3lwxA:
undetectable		 3vasB-3lwxA:
19.62
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.
3mkt MULTI ANTIMICROBIAL
EXTRUSION PROTEIN
(NA(+)/DRUG
ANTIPORTER)
MATE-LIKE MDR EFFLUX
PUMP

(Vibrio cholerae) 		PF01554
(MatE) 		4 LEU A  18
ALA A 296
THR A 160
PHE A 153
 None
 1.27A 3vasB-3mktA:
undetectable		 3vasB-3mktA:
21.87
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.
3nzh 5F6 HEAVY CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU H  12
ALA H 118
THR H 114
PHE H 150
 None
 1.22A 3vasB-3nzhH:
undetectable		 3vasB-3nzhH:
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.
3qlt GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 2

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		4 LEU A 251
ALA A 232
THR A 253
PHE A 284
 None
 1.19A 3vasB-3qltA:
4.7		 3vasB-3qltA:
22.20
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.
3rr6 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacteroides
abscessus) 		PF01557
(FAA_hydrolase)
PF10370
(DUF2437) 		4 LEU A 202
ALA A 208
MET A  66
THR A 227
 None
PEG  A 274 (-3.8A)
None
None
 1.25A 3vasB-3rr6A:
undetectable		 3vasB-3rr6A:
19.02
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.
3rrc DUFFY RECEPTOR

(Plasmodium
vivax) 		PF03011
(PFEMP)
PF05424
(Duffy_binding) 		4 LEU A 379
ALA A 382
MET A 362
THR A 359
 None
 1.39A 3vasB-3rrcA:
undetectable		 3vasB-3rrcA:
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.
3rre PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		4 LEU A 191
ALA A 194
THR A 169
PHE A 172
 None
None
None
GOL  A 496 ( 4.7A)
 1.31A 3vasB-3rreA:
14.8		 3vasB-3rreA:
25.48
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.
3t66 NICKEL ABC
TRANSPORTER
(NICKEL-BINDING
PROTEIN)

(Bacillus
halodurans) 		PF00496
(SBP_bac_5) 		4 LEU A  26
ALA A  39
THR A  23
PHE A 193
 None
 1.08A 3vasB-3t66A:
undetectable		 3vasB-3t66A:
22.38
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.
3ugk SACCHAROPINE
DEHYDROGENASE [NAD+,
L-LYSINE-FORMING]

(Saccharomyces
cerevisiae) 		PF05222
(AlaDh_PNT_N) 		4 LEU A  21
ALA A  19
THR A  25
PHE A  46
 None
 1.38A 3vasB-3ugkA:
undetectable		 3vasB-3ugkA:
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.
3vid VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 ALA A1013
MET A1135
THR A1138
PHE A1091
 None
 1.39A 3vasB-3vidA:
undetectable		 3vasB-3vidA:
23.75
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.
3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 ALA A1013
MET A1135
THR A1138
PHE A1091
 None
 1.41A 3vasB-3wzdA:
undetectable		 3vasB-3wzdA:
21.61
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.
4akr F-ACTIN-CAPPING
PROTEIN SUBUNIT
ALPHA

(Dictyostelium
discoideum) 		PF01267
(F-actin_cap_A) 		4 LEU A  16
ALA A  18
THR A  47
PHE A  23
 None
 1.32A 3vasB-4akrA:
undetectable		 3vasB-4akrA:
21.82
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.
4bsn EXPORTIN-1

(Homo sapiens) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		4 LEU A 268
ALA A 272
THR A 290
PHE A 329
 None
 1.39A 3vasB-4bsnA:
undetectable		 3vasB-4bsnA:
16.20
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.
4dnh UNCHARACTERIZED
PROTEIN

(Sinorhizobium
meliloti) 		PF06187
(DUF993) 		4 LEU A  19
ALA A 363
MET A 379
THR A 376
 None
 1.35A 3vasB-4dnhA:
undetectable		 3vasB-4dnhA:
21.71
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.
4ezi UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 4 LEU A  67
ALA A 129
MET A 141
THR A 139
 None
 1.28A 3vasB-4eziA:
undetectable		 3vasB-4eziA:
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.
4f3e CASA

(Thermus
thermophilus) 		PF09481
(CRISPR_Cse1) 		4 LEU A 425
ALA A 461
THR A 468
PHE A 489
 None
 1.35A 3vasB-4f3eA:
undetectable		 3vasB-4f3eA:
20.46
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.
4f8x ENDO-1,4-BETA-XYLANA
SE

(Penicillium
canescens) 		PF00331
(Glyco_hydro_10) 		4 LEU A  62
ALA A  99
THR A  43
PHE A  95
 None
 1.33A 3vasB-4f8xA:
2.7		 3vasB-4f8xA:
20.95
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.
4fnv HEPARINASE III
PROTEIN, HEPARITIN
SULFATE LYASE

(Bacteroides
thetaiotaomicron) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		4 ALA A 408
MET A 354
THR A 357
PHE A 362
 None
 1.37A 3vasB-4fnvA:
undetectable		 3vasB-4fnvA:
20.51
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.
4gax AMORPHA-4,11-DIENE
SYNTHASE

(Artemisia annua) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 LEU A 326
ALA A 317
MET A 341
PHE A 314
 None
 1.18A 3vasB-4gaxA:
undetectable		 3vasB-4gaxA:
21.29
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.
4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC

(Klebsiella
pneumoniae) 		PF05138
(PaaA_PaaC) 		4 LEU C  25
ALA C  40
THR C  96
PHE C 139
 None
 1.09A 3vasB-4iitC:
undetectable		 3vasB-4iitC:
21.18
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.
4j4b PYLD

(Methanosarcina
barkeri) 		no annotation 4 LEU A 101
ALA A 103
THR A 251
PHE A  63
 None
0TF  A 904 (-4.0A)
None
0TF  A 904 (-3.8A)
 1.32A 3vasB-4j4bA:
2.9		 3vasB-4j4bA:
20.64
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.
4lix ENT-COPALYL
DIPHOSPHATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 LEU A 591
ALA A 586
MET A 656
THR A 652
 None
 1.00A 3vasB-4lixA:
undetectable		 3vasB-4lixA:
19.75
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.
4ol0 TRANSPORTIN-3

(Homo sapiens) 		PF08389
(Xpo1) 		4 LEU B 701
ALA B 756
THR B 732
PHE B 753
 None
 1.22A 3vasB-4ol0B:
undetectable		 3vasB-4ol0B:
16.58
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.
4on9 PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX58

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 LEU A 430
ALA A 436
MET A 387
THR A 377
 None
 1.38A 3vasB-4on9A:
undetectable		 3vasB-4on9A:
23.59
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.
4pj3 INTRON-BINDING
PROTEIN AQUARIUS

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12)
PF16399
(Aquarius_N) 		4 LEU A1273
ALA A1305
THR A1229
PHE A1310
 None
 0.98A 3vasB-4pj3A:
undetectable		 3vasB-4pj3A:
12.68
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.
4pm4 IRON COMPLEX
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Mycobacterium
tuberculosis) 		PF01497
(Peripla_BP_2) 		4 LEU A 116
ALA A 124
THR A 112
PHE A  22
 None
 1.40A 3vasB-4pm4A:
undetectable		 3vasB-4pm4A:
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.
4q73 PROLINE
DEHYDROGENASE

(Bradyrhizobium
diazoefficiens) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 LEU A 301
ALA A 268
THR A 295
PHE A 275
 None
 1.19A 3vasB-4q73A:
undetectable		 3vasB-4q73A:
17.06
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.
4wwx V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Mus musculus) 		PF12940
(RAG1) 		4 LEU B 538
ALA B 670
MET B 658
THR B 552
 None
 1.31A 3vasB-4wwxB:
undetectable		 3vasB-4wwxB:
19.62
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.
4x0l HAPTOGLOBIN

(Homo sapiens) 		PF00089
(Trypsin) 		4 LEU C 206
ALA C 201
MET C 179
THR C 187
 None
 1.17A 3vasB-4x0lC:
undetectable		 3vasB-4x0lC:
21.86
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.
4yyc PUTATIVE
TRIMETHYLAMINE
METHYLTRANSFERASE

(Sinorhizobium
meliloti) 		PF06253
(MTTB) 		4 LEU A 359
ALA A 318
MET A 379
THR A 376
 None
 1.38A 3vasB-4yycA:
undetectable		 3vasB-4yycA:
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		4 LEU A1273
ALA A1276
MET A1257
THR A1254
 None
 1.40A 3vasB-5a22A:
undetectable		 3vasB-5a22A:
10.91
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.
5ay9 4-O-BETA-D-MANNOSYL-
D-GLUCOSE
PHOSPHORYLASE

(Ruminococcus
albus) 		PF04041
(Glyco_hydro_130) 		4 LEU A 266
ALA A 298
THR A 261
PHE A 359
 None
 1.12A 3vasB-5ay9A:
undetectable		 3vasB-5ay9A:
23.37
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.
5b5q MEMBRANE THIOL
PROTEASE

(Chlamydia
trachomatis) 		PF02902
(Peptidase_C48) 		4 LEU B 255
ALA B 194
MET B 262
THR B 258
 None
 1.20A 3vasB-5b5qB:
undetectable		 3vasB-5b5qB:
20.05
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.
5csa ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00364
(Biotin_lipoyl)
PF08326
(ACC_central) 		4 ALA A1403
MET A1456
THR A1454
PHE A1404
 None
 1.19A 3vasB-5csaA:
undetectable		 3vasB-5csaA:
17.57
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.
5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Homo sapiens) 		PF00149
(Metallophos) 		4 LEU A  89
ALA A  91
MET A 132
THR A 135
 None
None
None
NAG  A 704 ( 4.6A)
 1.17A 3vasB-5ebbA:
undetectable		 3vasB-5ebbA:
21.48
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.
5eks 3-DEHYDROQUINATE
SYNTHASE

(Acinetobacter
baumannii) 		PF01761
(DHQ_synthase) 		4 LEU A 336
ALA A 188
MET A 271
THR A 292
 None
 1.30A 3vasB-5eksA:
2.9		 3vasB-5eksA:
22.82
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.
5fca ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Mus musculus) 		PF00149
(Metallophos) 		4 LEU A  86
ALA A  88
MET A 129
THR A 132
 None
None
None
NAG  A 508 ( 4.3A)
 1.16A 3vasB-5fcaA:
undetectable		 3vasB-5fcaA:
21.67
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.
5hdf HYDROLASE

(Streptomyces
flocculus) 		no annotation 4 LEU B 351
MET B 301
THR B 207
PHE B 120
 None
 1.29A 3vasB-5hdfB:
4.9		 3vasB-5hdfB:
21.71
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.
5jbk BETA-GLUCOSIDASE

(Trichoderma
harzianum) 		PF00232
(Glyco_hydro_1) 		4 LEU A  64
ALA A  70
THR A 436
PHE A  11
 None
 1.34A 3vasB-5jbkA:
undetectable		 3vasB-5jbkA:
21.53
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.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		4 ALA A 222
MET A 205
THR A 238
PHE A 184
 None
None
None
6TM  A 502 (-3.4A)
 1.29A 3vasB-5kjmA:
undetectable		 3vasB-5kjmA:
22.82
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.
5kut MITOCHONDRIAL RHO
GTPASE 2

(Homo sapiens) 		no annotation 4 LEU A 433
ALA A 435
MET A 492
PHE A 567
 None
 1.38A 3vasB-5kutA:
3.4		 3vasB-5kutA:
18.21
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.
5mln ALCOHOL
DEHYDROGENASE 3

([Candida]
magnoliae) 		no annotation 4 LEU A  78
ALA A  80
THR A  32
PHE A  73
 None
 1.35A 3vasB-5mlnA:
6.6		 3vasB-5mlnA:
13.99
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.
5mu5 UNCHARACTERIZED
PROTEIN

(Magnetospirillum
magneticum) 		no annotation 4 LEU A 554
ALA A 558
MET A 578
PHE A 629
 None
 1.34A 3vasB-5mu5A:
undetectable		 3vasB-5mu5A:
19.67
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.
5tf0 GLYCOSYL HYDROLASE
FAMILY 3 N-TERMINAL
DOMAIN PROTEIN

(Bacteroides
intestinalis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 LEU A 592
ALA A 587
THR A 555
PHE A 396
 None
 1.03A 3vasB-5tf0A:
undetectable		 3vasB-5tf0A:
20.61
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.
5u9z PHOSPHOGLYCEROL
TRANSFERASE

(Streptococcus
pyogenes) 		no annotation 4 ALA A 603
MET A 647
THR A 621
PHE A 611
 None
 1.22A 3vasB-5u9zA:
undetectable		 3vasB-5u9zA:
13.82
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.
5uoh CARBOXYLESTERASE A

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		4 LEU A 350
ALA A 279
THR A 337
PHE A 275
 None
 1.29A 3vasB-5uohA:
undetectable		 3vasB-5uohA:
23.48
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.
5vmb SERINE
HYDROXYMETHYLTRANSFE
RASE

(Acinetobacter
baumannii) 		PF00464
(SHMT) 		4 LEU A 207
ALA A 210
THR A 230
PHE A 283
 None
 1.41A 3vasB-5vmbA:
undetectable		 3vasB-5vmbA:
24.67
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.
5wgx FLAVIN-DEPENDENT
HALOGENASE

(Malbranchea
aurantiaca) 		PF04820
(Trp_halogenase) 		4 LEU A 497
ALA A 509
THR A  89
PHE A 505
 None
 1.32A 3vasB-5wgxA:
3.6		 3vasB-5wgxA:
20.83
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.
5wuj FLAGELLAR M-RING
PROTEIN
FLAGELLAR MOTOR
SWITCH PROTEIN FLIG

(Helicobacter
pylori) 		no annotation 4 LEU B  38
ALA A 549
THR B  34
PHE A 552
 None
 1.40A 3vasB-5wujB:
undetectable		 3vasB-5wujB:
11.96
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.
5x8z PENICILLIN V
ACYLASE-LIKE PROTEIN

(Shewanella
loihica) 		no annotation 4 LEU A 259
ALA A 257
MET A  15
THR A  17
 None
 1.39A 3vasB-5x8zA:
undetectable		 3vasB-5x8zA:
14.65
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.
5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Homo sapiens) 		PF06212
(GRIM-19) 		4 LEU w 141
ALA w 146
THR w  97
PHE w  86
 None
 1.36A 3vasB-5xtdw:
2.2		 3vasB-5xtdw:
21.20
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.
5xvm STEROL
3-BETA-GLUCOSYLTRANS
FERASE

(Saccharomyces
cerevisiae) 		PF00201
(UDPGT)
PF03033
(Glyco_transf_28) 		4 LEU A1079
ALA A1077
THR A1085
PHE A1060
 None
 1.23A 3vasB-5xvmA:
undetectable		 3vasB-5xvmA:
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.
5y6r GENOME POLYPROTEIN

(Pestivirus C) 		no annotation 4 LEU A 458
ALA A 441
THR A 430
PHE A 437
 None
 1.33A 3vasB-5y6rA:
undetectable		 3vasB-5y6rA:
14.24
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.
6brs PUTATIVE ZINC
PROTEASE

(Pectobacterium
atrosepticum) 		no annotation 4 ALA A 341
MET A 308
THR A 304
PHE A 287
 None
 1.29A 3vasB-6brsA:
undetectable		 3vasB-6brsA:
12.26
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.
6ccz SERINE
HYDROXYMETHYLTRANSFE
RASE

(Medicago
truncatula) 		no annotation 4 LEU A 162
ALA A 164
MET A 327
PHE A 165
 None
 1.16A 3vasB-6cczA:
3.6		 3vasB-6cczA:
13.99
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.
6cg0 V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Mus musculus) 		no annotation 4 LEU A 538
ALA A 670
MET A 658
THR A 552
 None
 1.38A 3vasB-6cg0A:
undetectable		 3vasB-6cg0A:
13.20
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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 4 LEU A 472
ALA A 619
THR A 476
PHE A 393
 None
 1.13A 3vasB-6fikA:
undetectable		 3vasB-6fikA:
11.89