SIMILAR PATTERNS OF AMINO ACIDS FOR 4J4V_D_SVRD301_1

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.
1dnp DNA PHOTOLYASE

(Escherichia
coli) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 GLY A 319
ALA A 348
VAL A 326
PRO A 447
ILE A 450
 None
FAD  A 472 ( 3.7A)
None
None
None
 1.16A 4j4vD-1dnpA:
0.6
4j4vE-1dnpA:
undetectable		 4j4vD-1dnpA:
21.51
4j4vE-1dnpA:
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.
1fdr FLAVODOXIN REDUCTASE

(Escherichia
coli) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 GLY A 213
VAL A 218
GLN A 222
PRO A 120
PHE A  98
 None
 1.31A 4j4vD-1fdrA:
undetectable
4j4vE-1fdrA:
undetectable		 4j4vD-1fdrA:
21.01
4j4vE-1fdrA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kqg FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
IRON-SULFUR SUBUNIT

(Escherichia
coli) 		PF09163
(Form-deh_trans)
PF12800
(Fer4_4)
PF13247
(Fer4_11) 		5 GLY B 221
ASN B 215
ALA B 196
MET B 101
PHE B 145
 None
None
None
None
SF4  B 807 (-4.7A)
 1.23A 4j4vD-1kqgB:
undetectable
4j4vE-1kqgB:
undetectable		 4j4vD-1kqgB:
21.62
4j4vE-1kqgB:
21.62
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.
1l1n GENOME POLYPROTEIN:
PICORNAIN 3C

(Enterovirus C) 		PF00548
(Peptidase_C3) 		5 GLY A 159
ALA A   7
VAL A 157
PHE A 179
ILE A  36
 None
 1.44A 4j4vD-1l1nA:
undetectable
4j4vE-1l1nA:
undetectable		 4j4vD-1l1nA:
21.88
4j4vE-1l1nA:
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.
1lkt TAILSPIKE PROTEIN

(Salmonella
virus P22) 		PF09008
(Head_binding) 		5 GLY A  71
ALA A  95
VAL A  26
PRO A  15
ILE A  73
 None
 1.27A 4j4vD-1lktA:
undetectable
4j4vE-1lktA:
undetectable		 4j4vD-1lktA:
18.07
4j4vE-1lktA:
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.
1lpf DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 192
ARG A 201
ALA A 200
VAL A 208
PHE A 215
 None
 1.38A 4j4vD-1lpfA:
0.9
4j4vE-1lpfA:
0.1		 4j4vD-1lpfA:
20.62
4j4vE-1lpfA:
20.62
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.
1mro METHYL-COENZYME M
REDUCTASE

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 GLY A 203
ASN A 110
ALA A 112
GLN A 206
ILE A 172
 None
 1.21A 4j4vD-1mroA:
undetectable
4j4vE-1mroA:
0.0		 4j4vD-1mroA:
20.40
4j4vE-1mroA:
20.40
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.
1o7d LYSOSOMAL
ALPHA-MANNOSIDASE

(Bos taurus) 		PF01074
(Glyco_hydro_38) 		5 GLY A 154
ALA A 167
PRO A 189
MET A 211
PHE A 213
 None
 1.47A 4j4vD-1o7dA:
undetectable
4j4vE-1o7dA:
0.0		 4j4vD-1o7dA:
20.63
4j4vE-1o7dA:
20.63
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.
1t3i PROBABLE CYSTEINE
DESULFURASE

(Synechocystis
sp.) 		PF00266
(Aminotran_5) 		5 GLY A 292
ALA A  82
VAL A 295
MET A 232
ILE A 238
 None
 1.48A 4j4vD-1t3iA:
0.0
4j4vE-1t3iA:
undetectable		 4j4vD-1t3iA:
20.41
4j4vE-1t3iA:
20.41
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.
1t3i PROBABLE CYSTEINE
DESULFURASE

(Synechocystis
sp.) 		PF00266
(Aminotran_5) 		5 GLY A 292
ARG A  78
ALA A  82
VAL A 295
MET A 232
 None
 1.50A 4j4vD-1t3iA:
0.0
4j4vE-1t3iA:
undetectable		 4j4vD-1t3iA:
20.41
4j4vE-1t3iA:
20.41
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.
1uxt GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
(NADP+)

(Thermoproteus
tenax) 		PF00171
(Aldedh) 		5 GLY A  67
ALA A 237
PRO A 213
PHE A 212
ILE A 217
 None
 1.38A 4j4vD-1uxtA:
undetectable
4j4vE-1uxtA:
undetectable		 4j4vD-1uxtA:
20.00
4j4vE-1uxtA:
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.
2dpg GLUCOSE 6-PHOSPHATE
DEHYDROGENASE

(Leuconostoc
mesenteroides) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		5 GLY A 318
VAL A 334
MET A 242
PHE A 442
ILE A 446
 None
 1.43A 4j4vD-2dpgA:
0.0
4j4vE-2dpgA:
0.3		 4j4vD-2dpgA:
19.22
4j4vE-2dpgA:
19.22
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.
2hma PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE

(Streptococcus
pneumoniae) 		PF03054
(tRNA_Me_trans) 		5 GLY A 264
VAL A 262
GLN A 243
PRO A 342
ILE A 373
 None
 1.47A 4j4vD-2hmaA:
0.0
4j4vE-2hmaA:
0.0		 4j4vD-2hmaA:
21.19
4j4vE-2hmaA:
21.19
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.
2p24 H-2 CLASS II
HISTOCOMPATIBILITY
ANTIGEN, A-U ALPHA
CHAIN
H-2 CLASS II
HISTOCOMPATIBILITY
ANTIGEN, A-U BETA
CHAIN

(Mus musculus) 		PF00969
(MHC_II_beta)
PF00993
(MHC_II_alpha)
PF07654
(C1-set) 		5 GLY A 169
ASN A  84
ARG B 134
ALA A  82
ILE A 117
 None
 1.29A 4j4vD-2p24A:
undetectable
4j4vE-2p24A:
undetectable		 4j4vD-2p24A:
22.58
4j4vE-2p24A:
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.
2pb0 ACETYLORNITHINE/SUCC
INYLDIAMINOPIMELATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00202
(Aminotran_3) 		5 ALA A 362
VAL A 368
MET A 376
PHE A 332
ILE A 325
 None
 1.14A 4j4vD-2pb0A:
undetectable
4j4vE-2pb0A:
undetectable		 4j4vD-2pb0A:
20.43
4j4vE-2pb0A:
20.43
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.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A 248
VAL A 277
MET A 326
PHE A 234
ILE A 240
 None
 1.47A 4j4vD-2q27A:
undetectable
4j4vE-2q27A:
undetectable		 4j4vD-2q27A:
18.74
4j4vE-2q27A:
18.74
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.
2qsf DNA REPAIR PROTEIN
RAD4

(Saccharomyces
cerevisiae) 		PF03835
(Rad4)
PF10403
(BHD_1)
PF10405
(BHD_3) 		5 ARG A 584
ALA A 582
VAL A 574
PRO A 568
ILE A 551
 None
 1.37A 4j4vD-2qsfA:
0.5
4j4vE-2qsfA:
undetectable		 4j4vD-2qsfA:
18.69
4j4vE-2qsfA:
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.
2v4i GLUTAMATE
N-ACETYLTRANSFERASE
2 ALPHA CHAIN

(Streptomyces
clavuligerus) 		PF01960
(ArgJ) 		5 GLY A 137
ARG A 144
ALA A 145
VAL A  14
PRO A   9
 None
 1.45A 4j4vD-2v4iA:
undetectable
4j4vE-2v4iA:
undetectable		 4j4vD-2v4iA:
21.69
4j4vE-2v4iA:
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.
3asp CAPSID PROTEIN

(Norwalk virus) 		PF00915
(Calici_coat)
PF08435
(Calici_coat_C) 		5 GLY A 293
ALA A 319
VAL A 291
PHE A 369
ILE A 295
 None
 1.45A 4j4vD-3aspA:
undetectable
4j4vE-3aspA:
undetectable		 4j4vD-3aspA:
21.96
4j4vE-3aspA:
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.
3b74 UNCHARACTERIZED
PROTEIN YKL091C

(Saccharomyces
cerevisiae) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		5 ALA A 200
VAL A 230
MET A 226
PHE A 223
ILE A 244
 PEE  A 311 ( 4.3A)
None
PEE  A 311 ( 4.6A)
None
None
 1.47A 4j4vD-3b74A:
0.0
4j4vE-3b74A:
undetectable		 4j4vD-3b74A:
19.70
4j4vE-3b74A:
19.70
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.
3cmn PUTATIVE HYDROLASE

(Chloroflexus
aurantiacus) 		PF10103
(Zincin_2) 		5 ASN A 188
ALA A  62
GLN A 195
PHE A 203
ILE A 207
 None
 1.30A 4j4vD-3cmnA:
0.4
4j4vE-3cmnA:
undetectable		 4j4vD-3cmnA:
23.63
4j4vE-3cmnA:
23.63
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.
3i4k MUCONATE LACTONIZING
ENZYME

(Corynebacterium
glutamicum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 119
GLN A 316
PRO A 333
PHE A 345
ILE A 341
 ALA  A 119 ( 0.0A)
GLN  A 316 ( 0.6A)
PRO  A 333 ( 1.1A)
PHE  A 345 ( 1.3A)
ILE  A 341 ( 0.3A)
 1.43A 4j4vD-3i4kA:
undetectable
4j4vE-3i4kA:
undetectable		 4j4vD-3i4kA:
21.29
4j4vE-3i4kA:
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.
3i4k MUCONATE LACTONIZING
ENZYME

(Corynebacterium
glutamicum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 310
GLN A 316
PRO A 333
PHE A 345
ILE A 341
 GLY  A 310 ( 0.0A)
GLN  A 316 ( 0.6A)
PRO  A 333 ( 1.1A)
PHE  A 345 ( 1.3A)
ILE  A 341 ( 0.3A)
 1.27A 4j4vD-3i4kA:
undetectable
4j4vE-3i4kA:
undetectable		 4j4vD-3i4kA:
21.29
4j4vE-3i4kA:
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.
3k0b PREDICTED
N6-ADENINE-SPECIFIC
DNA METHYLASE

(Listeria
monocytogenes) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 GLY A 200
ALA A 272
GLN A 169
PRO A 305
ILE A 174
 None
 1.46A 4j4vD-3k0bA:
undetectable
4j4vE-3k0bA:
undetectable		 4j4vD-3k0bA:
23.34
4j4vE-3k0bA:
23.34
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.
3kes NUCLEOPORIN NUP145

(Saccharomyces
cerevisiae) 		PF04096
(Nucleoporin2) 		5 GLY A 541
ALA A 546
VAL A 500
PHE A 505
ILE A 517
 None
 1.48A 4j4vD-3kesA:
undetectable
4j4vE-3kesA:
undetectable		 4j4vD-3kesA:
20.47
4j4vE-3kesA:
20.47
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.
3ki6 CHOLIX TOXIN

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly) 		5 GLY A 458
VAL A 494
PRO A 624
PHE A 541
ILE A 533
 None
 1.17A 4j4vD-3ki6A:
undetectable
4j4vE-3ki6A:
undetectable		 4j4vD-3ki6A:
20.85
4j4vE-3ki6A:
20.85
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.
3ljp CHOLINE OXIDASE

(Arthrobacter
globiformis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A  21
ALA A 498
VAL A  18
PHE A 224
ILE A 215
 FDA  A 547 ( 4.7A)
None
None
None
None
 1.34A 4j4vD-3ljpA:
undetectable
4j4vE-3ljpA:
0.5		 4j4vD-3ljpA:
18.84
4j4vE-3ljpA:
18.84
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.
3nav TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Vibrio cholerae) 		PF00290
(Trp_syntA) 		5 GLY A  98
ALA A 143
VAL A 126
MET A 101
ILE A  85
 None
 1.25A 4j4vD-3navA:
undetectable
4j4vE-3navA:
undetectable		 4j4vD-3navA:
23.43
4j4vE-3navA:
23.43
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.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N) 		5 GLY A 933
ASN A 934
ARG A 879
PHE A 893
ILE A 964
 None
 1.31A 4j4vD-3ob8A:
undetectable
4j4vE-3ob8A:
undetectable		 4j4vD-3ob8A:
13.00
4j4vE-3ob8A:
13.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ouo NUCLEOPROTEIN

(Rift Valley
fever
phlebovirus) 		PF05733
(Tenui_N) 		5 GLY A  65
ASN A  66
PRO A 127
PHE A 176
ILE A 180
 None
 0.78A 4j4vD-3ouoA:
33.0
4j4vE-3ouoA:
32.6		 4j4vD-3ouoA:
38.71
4j4vE-3ouoA:
38.71
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.
3q94 FRUCTOSE-BISPHOSPHAT
E ALDOLASE, CLASS II

(Bacillus
anthracis) 		PF01116
(F_bP_aldolase) 		5 GLY A 211
ALA A 174
GLN A  22
PHE A 279
ILE A 219
 13P  A 321 (-3.9A)
None
13P  A 321 ( 4.8A)
None
None
 1.23A 4j4vD-3q94A:
undetectable
4j4vE-3q94A:
undetectable		 4j4vD-3q94A:
22.97
4j4vE-3q94A:
22.97
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.
3r2i EXOTOXIN 5

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB) 		5 ARG A 214
VAL A 163
PRO A 137
PHE A 156
ILE A 227
 None
 1.09A 4j4vD-3r2iA:
undetectable
4j4vE-3r2iA:
undetectable		 4j4vD-3r2iA:
22.03
4j4vE-3r2iA:
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.
3r2t PUTATIVE
UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB) 		5 ARG A 214
VAL A 163
PRO A 137
PHE A 156
ILE A 227
 None
 1.19A 4j4vD-3r2tA:
undetectable
4j4vE-3r2tA:
undetectable		 4j4vD-3r2tA:
22.97
4j4vE-3r2tA:
22.97
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.
3u4a JMB19063

(compost
metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 189
ASN A 229
ALA A 236
VAL A 198
MET A 200
 None
 1.40A 4j4vD-3u4aA:
undetectable
4j4vE-3u4aA:
undetectable		 4j4vD-3u4aA:
17.02
4j4vE-3u4aA:
17.02
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.
3vi1 ALKALINE
METALLOPROTEINASE

(Pseudomonas
aeruginosa) 		PF08548
(Peptidase_M10_C)
PF13583
(Reprolysin_4) 		5 GLY A 318
ASN A 319
VAL A 313
GLN A 301
PHE A  12
 None
 1.46A 4j4vD-3vi1A:
undetectable
4j4vE-3vi1A:
undetectable		 4j4vD-3vi1A:
19.31
4j4vE-3vi1A:
19.31
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 734
ALA A 739
VAL A 736
GLN A 471
MET A 472
 None
None
None
EDO  A2003 (-4.2A)
None
 1.31A 4j4vD-4cu8A:
undetectable
4j4vE-4cu8A:
undetectable		 4j4vD-4cu8A:
14.46
4j4vE-4cu8A:
14.46
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.
4fod ALK TYROSINE KINASE
RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 GLY A1316
ALA A1252
PRO A1374
PHE A1376
ILE A1379
 None
 1.49A 4j4vD-4fodA:
undetectable
4j4vE-4fodA:
undetectable		 4j4vD-4fodA:
22.49
4j4vE-4fodA:
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.
4gvx 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Burkholderia
multivorans) 		PF13561
(adh_short_C2) 		5 GLY A  14
ALA A 228
VAL A  12
PRO A  42
PHE A  46
 NAP  A 301 (-3.2A)
None
None
None
None
 1.22A 4j4vD-4gvxA:
undetectable
4j4vE-4gvxA:
undetectable		 4j4vD-4gvxA:
21.92
4j4vE-4gvxA:
21.92
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.
4gvx 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Burkholderia
multivorans) 		PF13561
(adh_short_C2) 		5 GLY A  15
ALA A 228
VAL A  12
PRO A  42
PHE A  46
 None
 1.38A 4j4vD-4gvxA:
undetectable
4j4vE-4gvxA:
undetectable		 4j4vD-4gvxA:
21.92
4j4vE-4gvxA:
21.92
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.
4hkm ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Xanthomonas
campestris) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 ARG A 319
GLN A 281
MET A 278
PHE A  93
ILE A  95
 None
 1.42A 4j4vD-4hkmA:
undetectable
4j4vE-4hkmA:
undetectable		 4j4vD-4hkmA:
21.73
4j4vE-4hkmA:
21.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j4s NUCLEOCAPSID PROTEIN

(SFTS
phlebovirus) 		PF05733
(Tenui_N) 		8 GLY A  65
ALA A  96
VAL A 105
GLN A 109
PRO A 127
MET A 147
PHE A 177
ILE A 181
 None
 0.89A 4j4vD-4j4sA:
36.8
4j4vE-4j4sA:
36.2		 4j4vD-4j4sA:
98.79
4j4vE-4j4sA:
98.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j4s NUCLEOCAPSID PROTEIN

(SFTS
phlebovirus) 		PF05733
(Tenui_N) 		8 GLY A  65
ASN A  66
ALA A  96
VAL A 105
GLN A 109
PRO A 127
MET A 147
PHE A 177
 None
 0.70A 4j4vD-4j4sA:
36.8
4j4vE-4j4sA:
36.2		 4j4vD-4j4sA:
98.79
4j4vE-4j4sA:
98.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j4s NUCLEOCAPSID PROTEIN

(SFTS
phlebovirus) 		PF05733
(Tenui_N) 		7 GLY A  65
ASN A  66
ARG A  95
ALA A  96
VAL A 105
GLN A 109
PRO A 127
 None
 0.93A 4j4vD-4j4sA:
36.8
4j4vE-4j4sA:
36.2		 4j4vD-4j4sA:
98.79
4j4vE-4j4sA:
98.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j4w NUCLEOCAPSID

(Punta Toro
phlebovirus) 		PF05733
(Tenui_N) 		5 GLY A  64
ASN A  65
PRO A 126
PHE A 175
ILE A 179
 None
 0.75A 4j4vD-4j4wA:
31.5
4j4vE-4j4wA:
31.2		 4j4vD-4j4wA:
37.85
4j4vE-4j4wA:
37.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j4x NP PROTEIN

(Sandfly fever
Naples
phlebovirus) 		PF05733
(Tenui_N) 		5 GLY A  70
ASN A  71
PRO A 132
PHE A 182
ILE A 186
 None
 0.60A 4j4vD-4j4xA:
31.1
4j4vE-4j4xA:
30.9		 4j4vD-4j4xA:
36.22
4j4vE-4j4xA:
36.22
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.
4lb0 UNCHARACTERIZED
PROTEIN

(Agrobacterium
vitis) 		PF05544
(Pro_racemase) 		5 GLY A 174
ARG A 301
ALA A 303
VAL A 147
ILE A 219
 None
 1.35A 4j4vD-4lb0A:
undetectable
4j4vE-4lb0A:
undetectable		 4j4vD-4lb0A:
22.16
4j4vE-4lb0A:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oqq DEOXYRIBONUCLEOSIDE
REGULATOR

(Bacillus
subtilis) 		PF04198
(Sugar-bind) 		5 GLY A  98
ALA A 296
VAL A 277
MET A 120
PHE A 160
 None
 1.30A 4j4vD-4oqqA:
undetectable
4j4vE-4oqqA:
undetectable		 4j4vD-4oqqA:
24.22
4j4vE-4oqqA:
24.22
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.
4pxd ALLANTOATE
AMIDOHYDROLASE

(Escherichia
coli) 		PF01546
(Peptidase_M20) 		5 ARG A 307
ALA A 308
GLN A 248
PHE A 264
ILE A 285
 None
 1.17A 4j4vD-4pxdA:
undetectable
4j4vE-4pxdA:
undetectable		 4j4vD-4pxdA:
20.19
4j4vE-4pxdA:
20.19
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.
4ra7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase) 		5 GLY A 708
ASN A 719
ARG A 736
ALA A 733
GLN A 744
 None
 1.19A 4j4vD-4ra7A:
undetectable
4j4vE-4ra7A:
undetectable		 4j4vD-4ra7A:
20.52
4j4vE-4ra7A:
20.52
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.
4rpf HOMOSERINE KINASE

(Yersinia pestis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A  16
ALA A 256
VAL A  13
MET A 151
ILE A 211
 None
 1.14A 4j4vD-4rpfA:
undetectable
4j4vE-4rpfA:
undetectable		 4j4vD-4rpfA:
21.43
4j4vE-4rpfA:
21.43
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.
4to8 FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE,
CLASS II

(Staphylococcus
aureus) 		PF01116
(F_bP_aldolase) 		5 GLY A 211
ALA A 174
GLN A  22
PHE A 279
ILE A 219
 None
 1.26A 4j4vD-4to8A:
undetectable
4j4vE-4to8A:
undetectable		 4j4vD-4to8A:
22.95
4j4vE-4to8A:
22.95
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.
4u63 DNA PHOTOLYASE

(Agrobacterium
fabrum) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 GLY A 321
ALA A 350
VAL A 328
PRO A 455
ILE A 458
 None
FAD  A1002 ( 3.9A)
None
None
None
 1.23A 4j4vD-4u63A:
undetectable
4j4vE-4u63A:
undetectable		 4j4vD-4u63A:
22.25
4j4vE-4u63A:
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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		5 ASN A1201
ARG A1203
ALA A1430
GLN A1125
ILE A1090
 None
 1.30A 4j4vD-4xqkA:
undetectable
4j4vE-4xqkA:
1.3		 4j4vD-4xqkA:
9.74
4j4vE-4xqkA:
9.74
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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		5 GLY A 908
ASN A 956
ALA A 838
VAL A 912
ILE A 977
 None
 1.09A 4j4vD-4xqkA:
undetectable
4j4vE-4xqkA:
1.3		 4j4vD-4xqkA:
9.74
4j4vE-4xqkA:
9.74
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.
4z43 FLAVIN-DEPENDENT
TRYPTOPHAN
HALOGENASE PRNA

(Pseudomonas
fluorescens) 		PF04820
(Trp_halogenase) 		5 GLY A 285
ALA A 300
VAL A 246
GLN A 316
PRO A 344
 None
None
None
None
FAD  A 601 ( 4.3A)
 1.38A 4j4vD-4z43A:
undetectable
4j4vE-4z43A:
undetectable		 4j4vD-4z43A:
19.34
4j4vE-4z43A:
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.
4zhs ASPARTATE
SEMIALDEHYDE
DEHYDROGENASE

(Trichophyton
rubrum) 		no annotation 5 ASN D 352
ALA D 128
VAL D 149
MET D 147
ILE D  82
 None
 1.24A 4j4vD-4zhsD:
undetectable
4j4vE-4zhsD:
undetectable		 4j4vD-4zhsD:
18.42
4j4vE-4zhsD:
18.42
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.
5h05 AMYP

(marine
metagenome) 		PF00128
(Alpha-amylase) 		5 GLY A 128
ARG A 176
ALA A 220
VAL A 183
PRO A 143
 None
MLR  A 701 (-3.7A)
None
None
None
 1.36A 4j4vD-5h05A:
undetectable
4j4vE-5h05A:
undetectable		 4j4vD-5h05A:
17.83
4j4vE-5h05A:
17.83
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.
5hax NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		PF08801
(Nucleoporin_N) 		5 GLY A 545
ASN A 546
GLN A 551
PRO A 494
ILE A 499
 None
 1.42A 4j4vD-5haxA:
0.7
4j4vE-5haxA:
undetectable		 4j4vD-5haxA:
15.85
4j4vE-5haxA:
15.85
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.
5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT

(Aromatoleum
aromaticum) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 GLY b 233
ASN b 230
VAL b 474
PRO b 290
PHE b 292
 None
 1.31A 4j4vD-5l9wb:
undetectable
4j4vE-5l9wb:
undetectable		 4j4vD-5l9wb:
19.39
4j4vE-5l9wb:
19.39
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.
5n2s SOLUBLE CYTOCHROME
B562,ADENOSINE
RECEPTOR A1

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		5 ASN A1006
ALA A1035
PRO A1045
PHE A1061
ILE A1102
 None
 1.41A 4j4vD-5n2sA:
undetectable
4j4vE-5n2sA:
undetectable		 4j4vD-5n2sA:
20.85
4j4vE-5n2sA:
20.85
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.
5o0s GLUCOSYLCERAMIDASE

(Thermoanaerobacterium
xylanolyticum) 		PF04685
(DUF608)
PF12215
(Glyco_hydr_116N)
PF17168
(DUF5127) 		5 ASN A 409
ALA A  43
GLN A 390
PRO A 460
ILE A 796
 None
 1.26A 4j4vD-5o0sA:
undetectable
4j4vE-5o0sA:
undetectable		 4j4vD-5o0sA:
15.98
4j4vE-5o0sA:
15.98
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.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT B

(Methanothermococcus
thermolithotrophicus) 		PF02754
(CCG) 		5 GLY B 223
ASN B 146
ALA B 182
VAL B 185
ILE B 220
 None
 1.43A 4j4vD-5odrB:
undetectable
4j4vE-5odrB:
undetectable		 4j4vD-5odrB:
22.19
4j4vE-5odrB:
22.19
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.
5tf0 GLYCOSYL HYDROLASE
FAMILY 3 N-TERMINAL
DOMAIN PROTEIN

(Bacteroides
intestinalis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 221
ASN A 261
ALA A 268
VAL A 230
MET A 232
 None
 1.37A 4j4vD-5tf0A:
undetectable
4j4vE-5tf0A:
undetectable		 4j4vD-5tf0A:
15.58
4j4vE-5tf0A:
15.58
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.
5ti8 AMINOTRANSFERASE

(Pseudomonas sp.
M1) 		PF00202
(Aminotran_3) 		5 ALA A  98
VAL A 116
PRO A 110
PHE A 274
ILE A 108
 None
 1.33A 4j4vD-5ti8A:
undetectable
4j4vE-5ti8A:
undetectable		 4j4vD-5ti8A:
18.78
4j4vE-5ti8A:
18.78
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.
5v9x ATP-DEPENDENT DNA
HELICASE

(Mycolicibacterium
smegmatis) 		no annotation 5 GLY A 417
ALA A 614
VAL A 420
GLN A 423
PHE A 636
 None
 1.34A 4j4vD-5v9xA:
undetectable
4j4vE-5v9xA:
undetectable		 4j4vD-5v9xA:
16.98
4j4vE-5v9xA:
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.
5v9x ATP-DEPENDENT DNA
HELICASE

(Mycolicibacterium
smegmatis) 		no annotation 5 GLY A 417
ALA A 614
VAL A 420
GLN A 423
PRO A 409
 None
 1.31A 4j4vD-5v9xA:
undetectable
4j4vE-5v9xA:
undetectable		 4j4vD-5v9xA:
16.98
4j4vE-5v9xA:
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.
6al7 12-EPI-HAPALINDOLE
C/U SYNTHASE

(Fischerella sp.
ATCC 43239) 		no annotation 5 GLY A 136
ASN A 137
ALA A 148
PRO A  94
ILE A  99
 None
CA  A 301 (-3.1A)
None
None
None
 1.36A 4j4vD-6al7A:
undetectable
4j4vE-6al7A:
undetectable		 4j4vD-6al7A:
13.33
4j4vE-6al7A:
13.33
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT F

(Flavobacterium
johnsoniae) 		no annotation 5 VAL F 414
PRO F 362
MET F 410
PHE F 406
ILE F 420
 None
 1.19A 4j4vD-6btmF:
0.6
4j4vE-6btmF:
0.4		 4j4vD-6btmF:
14.11
4j4vE-6btmF:
14.11
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.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A2235
ALA A2229
PHE A2185
ILE A2189
LYS A2207
 None
 1.47A 4j4vD-6emkA:
undetectable
4j4vE-6emkA:
undetectable		 4j4vD-6emkA:
15.29
4j4vE-6emkA:
15.29
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.
6eux POLYMERASE BASIC
PROTEIN 2

(Influenza B
virus) 		no annotation 5 GLY A 349
ASN A 350
VAL A 416
MET A 412
ILE A 346
 None
 1.44A 4j4vD-6euxA:
undetectable
4j4vE-6euxA:
undetectable		 4j4vD-6euxA:
15.32
4j4vE-6euxA:
15.32
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.
6f5o POLYMERASE BASIC
PROTEIN 2

(Influenza B
virus) 		no annotation 5 GLY C 349
ASN C 350
VAL C 416
MET C 412
ILE C 346
 None
 1.43A 4j4vD-6f5oC:
undetectable
4j4vE-6f5oC:
undetectable		 4j4vD-6f5oC:
14.69
4j4vE-6f5oC:
14.69