SIMILAR PATTERNS OF AMINO ACIDS FOR 5VW4_A_NCAA403

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.
1a8p NADPH:FERREDOXIN
OXIDOREDUCTASE

(Azotobacter
vinelandii) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		6 SER A  54
THR A 117
GLY A 118
ALA A 120
CYH A 219
GLU A 252
 FAD  A 259 (-3.8A)
FAD  A 259 (-3.1A)
None
FAD  A 259 (-3.5A)
None
FAD  A 259 ( 3.9A)
 0.59A 5vw4A-1a8pA:
8.4		 5vw4A-1a8pA:
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.
1a8p NADPH:FERREDOXIN
OXIDOREDUCTASE

(Azotobacter
vinelandii) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		6 THR A 117
GLY A 118
ALA A 120
CYH A 219
GLY A 220
GLU A 252
 FAD  A 259 (-3.1A)
None
FAD  A 259 (-3.5A)
None
None
FAD  A 259 ( 3.9A)
 0.70A 5vw4A-1a8pA:
8.4		 5vw4A-1a8pA:
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.
1amo NADPH-CYTOCHROME
P450 REDUCTASE

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		6 SER A 457
THR A 535
GLY A 536
ALA A 538
CYH A 630
GLY A 631
 FAD  A 750 (-3.8A)
NAP  A 752 (-3.5A)
None
FAD  A 750 (-3.7A)
None
None
 0.56A 5vw4A-1amoA:
29.7		 5vw4A-1amoA:
20.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bx0 PROTEIN
(FERREDOXIN:NADP+
OXIDOREDUCTASE)

(Spinacia
oleracea) 		PF00175
(NAD_binding_1) 		7 SER A  96
THR A 172
GLY A 173
ALA A 175
CYH A 272
GLY A 273
LEU A 274
 FAD  A 315 (-3.7A)
FAD  A 315 (-3.4A)
None
FAD  A 315 ( 4.0A)
None
None
None
 0.72A 5vw4A-1bx0A:
40.7		 5vw4A-1bx0A:
48.92
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.
1cvr GINGIPAIN R

(Porphyromonas
gingivalis) 		PF01364
(Peptidase_C25)
PF03785
(Peptidase_C25_C) 		5 THR A 279
GLY A 247
ALA A 277
CYH A 255
LEU A 250
 None
 1.07A 5vw4A-1cvrA:
undetectable		 5vw4A-1cvrA:
23.85
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.
1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT

(Escherichia
coli) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		6 SER A 389
THR A 462
GLY A 463
ALA A 465
CYH A 552
GLY A 553
 FAD  A 600 (-3.2A)
FAD  A 600 ( 3.8A)
None
FAD  A 600 ( 4.0A)
None
None
 0.24A 5vw4A-1ddgA:
29.3		 5vw4A-1ddgA:
28.90
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.
1dqz PROTEIN (ANTIGEN
85-C)

(Mycobacterium
tuberculosis) 		PF00756
(Esterase) 		5 GLY A 219
ALA A 224
GLY A 218
LEU A 217
SER A 215
 None
 1.28A 5vw4A-1dqzA:
undetectable		 5vw4A-1dqzA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e3h GUANOSINE
PENTAPHOSPHATE
SYNTHETASE

(Streptomyces
antibioticus) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03726
(PNPase) 		5 GLY A 511
ALA A 512
GLY A 460
GLU A 371
SER A 458
 None
None
SO4  A 904 ( 4.3A)
None
SO4  A 904 ( 4.1A)
 1.23A 5vw4A-1e3hA:
undetectable		 5vw4A-1e3hA:
18.54
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.
1f20 NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		6 SER A1176
THR A1251
GLY A1252
ALA A1254
CYH A1349
GLY A1350
 FAD  A1501 (-3.7A)
NAP  A1502 ( 3.9A)
None
FAD  A1501 ( 3.7A)
None
None
 0.56A 5vw4A-1f20A:
29.1		 5vw4A-1f20A:
23.61
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.
1fdr FLAVODOXIN REDUCTASE

(Escherichia
coli) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 SER A  53
THR A 116
CYH A 212
GLY A 213
GLU A 245
 FAD  A 249 (-3.7A)
FAD  A 249 (-3.0A)
None
None
FAD  A 249 ( 3.9A)
 0.89A 5vw4A-1fdrA:
21.8		 5vw4A-1fdrA:
22.50
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.
1j32 ASPARTATE
AMINOTRANSFERASE

(Phormidium
lapideum) 		PF00155
(Aminotran_1_2) 		5 SER A 327
THR A 331
ALA A 329
GLY A 312
LEU A 384
 None
 1.29A 5vw4A-1j32A:
undetectable		 5vw4A-1j32A:
21.98
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.
1kk0 EIF2GAMMA

(Pyrococcus
abyssi) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C) 		5 THR A 359
ALA A 360
GLY A 103
LEU A 106
SER A 105
 None
 1.08A 5vw4A-1kk0A:
3.1		 5vw4A-1kk0A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1krh BENZOATE
1,2-DIOXYGENASE
REDUCTASE

(Acinetobacter
sp.) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		7 SER A 159
THR A 220
GLY A 221
ALA A 223
CYH A 307
GLY A 308
GLU A 333
 FAD  A 501 (-3.1A)
FAD  A 501 (-3.2A)
None
FAD  A 501 ( 3.7A)
None
None
FAD  A 501 (-3.6A)
 0.63A 5vw4A-1krhA:
23.4		 5vw4A-1krhA:
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.
1lmo LYSOZYME

(Oncorhynchus
mykiss) 		PF00062
(Lys) 		5 SER A  36
THR A  40
GLY A  54
ALA A  42
LEU A  88
 None
 1.06A 5vw4A-1lmoA:
undetectable		 5vw4A-1lmoA:
20.21
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.
1qge PROTEIN
(TRIACYLGLYCEROL
HYDROLASE)

(Burkholderia
glumae) 		no annotation 5 THR E 250
GLY E 251
ALA E 252
GLY E 264
LEU E 265
 None
 1.30A 5vw4A-1qgeE:
undetectable		 5vw4A-1qgeE:
15.02
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.
1qge PROTEIN
(TRIACYLGLYCEROL
HYDROLASE)
PROTEIN
(TRIACYLGLYCEROL
HYDROLASE)

(Burkholderia
glumae;
Burkholderia
glumae) 		PF00561
(Abhydrolase_1)
no annotation 		5 THR D 212
GLY D 211
ALA D 213
GLY D 210
SER E 278
 None
 1.30A 5vw4A-1qgeD:
2.4		 5vw4A-1qgeD:
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.
1qge PROTEIN
(TRIACYLGLYCEROL
HYDROLASE)
PROTEIN
(TRIACYLGLYCEROL
HYDROLASE)

(Burkholderia
glumae;
Burkholderia
glumae) 		PF00561
(Abhydrolase_1)
no annotation 		5 THR E 250
GLY E 251
ALA E 252
LEU E 265
SER D 117
 None
 1.16A 5vw4A-1qgeE:
undetectable		 5vw4A-1qgeE:
15.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qgz PROTEIN
(FERREDOXIN:NADP+
REDUCTASE)

(Nostoc sp. PCC
7119) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		7 SER A  80
THR A 157
GLY A 158
ALA A 160
CYH A 261
GLY A 262
LEU A 263
 FAD  A 304 (-3.4A)
FAD  A 304 (-3.6A)
None
FAD  A 304 ( 4.0A)
None
None
None
 0.34A 5vw4A-1qgzA:
38.9		 5vw4A-1qgzA:
44.10
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.
1sjp 60 KDA CHAPERONIN 2

(Mycobacterium
tuberculosis) 		PF00118
(Cpn60_TCP1) 		5 THR A 293
GLY A 294
ALA A 333
GLY A 295
LEU A 219
 None
 0.94A 5vw4A-1sjpA:
undetectable		 5vw4A-1sjpA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sr8 COBALAMIN
BIOSYNTHESIS PROTEIN
(CBID)

(Archaeoglobus
fulgidus) 		PF01888
(CbiD) 		5 THR A  44
GLY A  45
ALA A  48
GLY A 185
LEU A 184
 None
 1.30A 5vw4A-1sr8A:
undetectable		 5vw4A-1sr8A:
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.
1tah LIPASE

(Burkholderia
glumae) 		no annotation 5 THR B 212
GLY B 211
ALA B 213
GLY B 210
SER B 278
 None
 1.27A 5vw4A-1tahB:
undetectable		 5vw4A-1tahB:
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.
1tah LIPASE

(Burkholderia
glumae) 		no annotation 5 THR B 250
GLY B 251
ALA B 252
GLY B 264
LEU B 265
 None
 1.31A 5vw4A-1tahB:
undetectable		 5vw4A-1tahB:
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.
1tah LIPASE

(Burkholderia
glumae) 		no annotation 5 THR B 250
GLY B 251
ALA B 252
LEU B 265
SER B 117
 None
 1.21A 5vw4A-1tahB:
undetectable		 5vw4A-1tahB:
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.
1tll NITRIC-OXIDE
SYNTHASE, BRAIN

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		6 SER A1176
THR A1251
GLY A1252
ALA A1254
CYH A1349
GLY A1350
 FAD  A1452 (-3.7A)
NAP  A1453 ( 3.4A)
None
FAD  A1452 (-3.6A)
None
None
 0.57A 5vw4A-1tllA:
29.1		 5vw4A-1tllA:
17.99
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.
1v0b CELL DIVISION
CONTROL PROTEIN 2
HOMOLOG

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		5 GLY A 197
ALA A 198
GLY A  96
LEU A  97
GLU A  94
 None
 1.30A 5vw4A-1v0bA:
undetectable		 5vw4A-1v0bA:
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.
1yx2 AMINOMETHYLTRANSFERA
SE

(Bacillus
subtilis) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 SER A 318
THR A 316
GLY A 326
LEU A 327
GLU A 289
 None
 1.25A 5vw4A-1yx2A:
undetectable		 5vw4A-1yx2A:
22.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2b5o FERREDOXIN--NADP
REDUCTASE

(Synechococcus
sp. PCC 7002) 		PF00175
(NAD_binding_1) 		8 SER A 182
THR A 260
GLY A 261
ALA A 263
CYH A 360
GLY A 361
LEU A 362
GLU A 400
 FAD  A 403 (-3.1A)
FAD  A 403 (-3.2A)
None
FAD  A 403 ( 4.3A)
None
None
None
FAD  A 403 (-3.8A)
 0.48A 5vw4A-2b5oA:
40.9		 5vw4A-2b5oA:
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.
2bf4 NADPH-CYTOCHROME
P450 REDUCTASE

(Saccharomyces
cerevisiae) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		6 SER A 442
THR A 543
GLY A 544
ALA A 546
CYH A 644
GLY A 645
 FAD  A 750 (-3.1A)
NAP  A 753 (-3.7A)
None
FAD  A 750 ( 4.0A)
None
None
 0.35A 5vw4A-2bf4A:
27.7		 5vw4A-2bf4A:
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.
2d9w DOCKING PROTEIN 2

(Homo sapiens) 		PF00169
(PH) 		5 SER A  84
THR A  88
ALA A 103
GLY A  79
GLU A  81
 None
 1.27A 5vw4A-2d9wA:
undetectable		 5vw4A-2d9wA:
15.31
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.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 SER A 397
GLY A 168
ALA A 166
GLY A 348
GLU A 350
 None
 0.98A 5vw4A-2gqdA:
undetectable		 5vw4A-2gqdA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gsl HYPOTHETICAL PROTEIN

(Fusobacterium
nucleatum) 		PF00636
(Ribonuclease_3) 		5 GLY A  22
ALA A  24
GLY A 107
LEU A 111
GLU A 115
 None
 1.25A 5vw4A-2gslA:
undetectable		 5vw4A-2gslA:
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.
2hj0 PUTATIVE CITRATE
LYASE, ALFA SUBUNIT

(Streptococcus
mutans) 		PF04223
(CitF) 		5 GLY A 180
ALA A 169
CYH A 187
GLY A 188
LEU A 339
 None
 1.02A 5vw4A-2hj0A:
undetectable		 5vw4A-2hj0A:
21.46
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.
2ogx MOLYBDENUM STORAGE
PROTEIN SUBUNIT
ALPHA

(Azotobacter
vinelandii) 		PF00696
(AA_kinase) 		5 THR A  78
GLY A  79
ALA A 151
GLY A  48
GLU A 190
 None
ATP  A 281 (-3.2A)
None
ATP  A 281 (-3.8A)
MG  A 291 ( 2.5A)
 1.13A 5vw4A-2ogxA:
3.3		 5vw4A-2ogxA:
22.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ok8 PUTATIVE
FERREDOXIN--NADP
REDUCTASE

(Plasmodium
falciparum) 		PF00175
(NAD_binding_1) 		6 SER A 104
THR A 180
GLY A 181
CYH A 284
GLY A 285
GLU A 314
 FAD  A 415 (-3.8A)
FAD  A 415 (-3.3A)
None
None
None
FAD  A 415 ( 3.8A)
 0.62A 5vw4A-2ok8A:
30.2		 5vw4A-2ok8A:
32.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qdx FERREDOXIN REDUCTASE

(Pseudomonas
aeruginosa) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		6 SER A  54
THR A 117
GLY A 118
ALA A 120
CYH A 219
GLU A 252
 FAD  A 400 (-3.7A)
FAD  A 400 (-3.2A)
None
FAD  A 400 (-3.6A)
None
FAD  A 400 ( 3.9A)
 0.52A 5vw4A-2qdxA:
8.1		 5vw4A-2qdxA:
23.87
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.
2qdx FERREDOXIN REDUCTASE

(Pseudomonas
aeruginosa) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		6 THR A 117
GLY A 118
ALA A 120
CYH A 219
GLY A 220
GLU A 252
 FAD  A 400 (-3.2A)
None
FAD  A 400 (-3.6A)
None
None
FAD  A 400 ( 3.9A)
 0.70A 5vw4A-2qdxA:
8.1		 5vw4A-2qdxA:
23.87
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.
2qtz METHIONINE SYNTHASE
REDUCTASE

(Homo sapiens) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		6 SER A 454
THR A 547
GLY A 548
ALA A 550
CYH A 650
GLY A 651
 FAD  A 700 (-3.2A)
FAD  A 700 ( 4.6A)
None
FAD  A 700 ( 4.7A)
None
None
 0.61A 5vw4A-2qtzA:
28.3		 5vw4A-2qtzA:
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.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		5 THR A 180
GLY A 181
ALA A 184
GLY A 159
LEU A 177
 None
 0.91A 5vw4A-2r9hA:
undetectable		 5vw4A-2r9hA:
19.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rc5 FERREDOXIN-NADP
REDUCTASE

(Leptospira
interrogans) 		PF00175
(NAD_binding_1) 		7 SER A  97
THR A 175
GLY A 176
ALA A 178
CYH A 272
GLY A 273
GLU A 312
 FAD  A 415 (-3.1A)
FAD  A 415 (-3.4A)
None
FAD  A 415 ( 3.9A)
None
None
FAD  A 415 (-3.8A)
 0.59A 5vw4A-2rc5A:
35.6		 5vw4A-2rc5A:
37.28
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.
2sfa SERINE PROTEINASE

(Streptomyces
fradiae) 		PF00089
(Trypsin) 		5 THR A  32
GLY A  18
ALA A  30
GLU A   5
SER A 108
 None
 0.90A 5vw4A-2sfaA:
undetectable		 5vw4A-2sfaA:
19.18
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.
2wqd PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Staphylococcus
aureus) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 GLY A 519
ALA A 551
GLY A 521
LEU A 522
GLU A 492
 None
 1.22A 5vw4A-2wqdA:
undetectable		 5vw4A-2wqdA:
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.
2yv2 SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Aeropyrum
pernix) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 THR A 124
ALA A 118
GLY A 191
LEU A 192
SER A 193
 None
 1.25A 5vw4A-2yv2A:
undetectable		 5vw4A-2yv2A:
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.
2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Bifidobacterium
longum) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 SER A1426
GLY A1434
ALA A1430
GLY A1435
SER A1365
 None
 1.17A 5vw4A-2zxqA:
undetectable		 5vw4A-2zxqA:
13.34
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.
3bry TBUX

(Ralstonia
pickettii) 		PF03349
(Toluene_X) 		5 THR A 381
GLY A 382
ALA A 397
GLY A 354
GLU A 343
 None
 0.96A 5vw4A-3bryA:
undetectable		 5vw4A-3bryA:
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.
3dkn PREPROTEIN
TRANSLOCASE SUBUNIT
SECY

(Canis lupus) 		PF00344
(SecY) 		5 SER A 115
ALA A  81
GLY A  76
LEU A  73
SER A 151
 None
 1.14A 5vw4A-3dknA:
undetectable		 5vw4A-3dknA:
21.22
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.
3fjo NADPH-CYTOCHROME
P450 REDUCTASE

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		6 SER A 437
THR A 515
GLY A 516
ALA A 518
CYH A 609
GLY A 610
 FAD  A 750 (-3.7A)
FAD  A 750 ( 3.9A)
None
FAD  A 750 ( 4.2A)
None
None
 0.55A 5vw4A-3fjoA:
29.6		 5vw4A-3fjoA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fpk FERREDOXIN-NADP
REDUCTASE

(Salmonella
enterica) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 SER A  53
THR A 116
CYH A 212
GLY A 213
GLU A 245
 FAD  A 301 (-3.6A)
FAD  A 301 (-3.4A)
None
None
FAD  A 301 ( 4.3A)
 0.80A 5vw4A-3fpkA:
21.8		 5vw4A-3fpkA:
25.23
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.
3iup PUTATIVE
NADPH:QUINONE
OXIDOREDUCTASE

(Cupriavidus
pinatubonensis) 		no annotation 5 SER A 291
THR A 247
GLY A 248
LEU A 252
GLU A 294
 None
NDP  A 401 (-4.5A)
None
None
None
 1.20A 5vw4A-3iupA:
3.8		 5vw4A-3iupA:
22.06
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.
3jtl PROTEASOME SUBUNIT
BETA

(Thermoplasma
acidophilum) 		PF00227
(Proteasome) 		5 THR H 127
GLY H 128
ALA H  46
GLY H 130
GLU H  17
 None
 1.31A 5vw4A-3jtlH:
undetectable		 5vw4A-3jtlH:
19.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mhp FERREDOXIN--NADP
REDUCTASE, LEAF
ISOZYME,
CHLOROPLASTIC

(Pisum sativum) 		PF00175
(NAD_binding_1) 		8 SER A  90
THR A 166
GLY A 167
ALA A 169
CYH A 266
GLY A 267
LEU A 268
GLU A 306
 FAD  A 999 (-3.4A)
FAD  A 999 (-3.3A)
None
FAD  A 999 ( 4.0A)
None
None
None
FAD  A 999 (-3.6A)
 0.71A 5vw4A-3mhpA:
42.0		 5vw4A-3mhpA:
46.69
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.
3qfs NADPH--CYTOCHROME
P450 REDUCTASE

(Homo sapiens) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		6 SER A 460
THR A 538
GLY A 539
ALA A 541
CYH A 632
GLY A 633
 FAD  A 752 (-3.5A)
NAP  A 753 (-3.0A)
None
FAD  A 752 ( 3.7A)
None
None
 0.42A 5vw4A-3qfsA:
30.0		 5vw4A-3qfsA:
25.21
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.
3qgm P-NITROPHENYL
PHOSPHATASE (PHO2)

(Archaeoglobus
fulgidus) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 SER A 255
GLY A  26
GLY A  29
LEU A  33
GLU A 261
 None
 1.23A 5vw4A-3qgmA:
undetectable		 5vw4A-3qgmA:
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.
3t6c PUTATIVE MAND FAMILY
DEHYDRATASE

(Pantoea
ananatis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 103
ALA A 106
GLY A 382
LEU A 383
GLU A 112
 None
 1.27A 5vw4A-3t6cA:
undetectable		 5vw4A-3t6cA:
21.65
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.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		5 GLY A 844
ALA A 846
GLY A 769
GLU A 907
SER A 765
 None
None
None
CA  A1004 (-2.8A)
None
 1.16A 5vw4A-3tlmA:
undetectable		 5vw4A-3tlmA:
14.97
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.
3v9r UNCHARACTERIZED
PROTEIN YOL086W-A
UNCHARACTERIZED
PROTEIN YDL160C-A

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF15630
(CENP-S)
PF09415
(CENP-X) 		5 ALA A  60
GLY A  53
LEU B  11
GLU B  15
SER B  12
 None
 1.10A 5vw4A-3v9rA:
undetectable		 5vw4A-3v9rA:
14.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vo2 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Zea mays) 		PF00175
(NAD_binding_1) 		7 SER A  96
THR A 172
GLY A 173
ALA A 175
CYH A 272
GLY A 273
GLU A 312
 FAD  A 401 (-3.2A)
FAD  A 401 (-3.3A)
None
FAD  A 401 ( 4.0A)
None
None
FAD  A 401 (-3.8A)
 0.43A 5vw4A-3vo2A:
41.5		 5vw4A-3vo2A:
49.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w5v FERREDOXIN

(Zea mays) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		8 SER A  96
THR A 172
GLY A 173
ALA A 175
CYH A 272
GLY A 273
LEU A 274
GLU A 312
 FAD  A 401 (-3.0A)
FAD  A 401 (-2.9A)
None
FAD  A 401 ( 4.0A)
None
None
None
FAD  A 401 ( 3.9A)
 0.84A 5vw4A-3w5vA:
40.5		 5vw4A-3w5vA:
48.29
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.
3wd8 TYPE III POLYKETIDE
SYNTHASE QUINOLONE
SYNTHASE

(Citrus x
microcarpa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 SER A  13
GLY A 225
LEU A  20
GLU A 179
SER A  18
 None
 1.31A 5vw4A-3wd8A:
undetectable		 5vw4A-3wd8A:
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.
4b4d FERREDOXIN-NADP
REDUCTASE

(Xanthomonas
citri) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		6 SER A  55
THR A 118
GLY A 119
ALA A 121
CYH A 220
GLU A 253
 FAD  A1260 (-3.8A)
FAD  A1260 (-3.3A)
None
FAD  A1260 ( 3.8A)
None
FAD  A1260 ( 4.2A)
 0.48A 5vw4A-4b4dA:
7.3		 5vw4A-4b4dA:
23.03
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.
4b4d FERREDOXIN-NADP
REDUCTASE

(Xanthomonas
citri) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		6 THR A 118
GLY A 119
ALA A 121
CYH A 220
GLY A 221
GLU A 253
 FAD  A1260 (-3.3A)
None
FAD  A1260 ( 3.8A)
None
None
FAD  A1260 ( 4.2A)
 0.64A 5vw4A-4b4dA:
7.3		 5vw4A-4b4dA:
23.03
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.
4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE

(Bacillus
megaterium) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		5 SER A 831
THR A 906
GLY A 907
ALA A 909
GLY A1001
 FAD  A1101 (-3.3A)
FAD  A1101 (-3.9A)
None
FAD  A1101 ( 4.1A)
None
 0.45A 5vw4A-4dqkA:
29.2		 5vw4A-4dqkA:
26.10
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.
4fbl LIPS LIPOLYTIC
ENZYME

(unidentified) 		PF12146
(Hydrolase_4) 		5 THR A  59
GLY A  60
ALA A 189
GLY A  57
SER A 126
 SPD  A 301 (-3.3A)
SPD  A 301 ( 3.8A)
SPD  A 301 (-3.2A)
SPD  A 301 (-3.5A)
SPD  A 301 ( 2.3A)
 0.72A 5vw4A-4fblA:
undetectable		 5vw4A-4fblA:
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.
4fk8 FERREDOXIN--NADP
REDUCTASE

(Burkholderia
thailandensis) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		6 SER A  69
THR A 132
GLY A 133
ALA A 135
CYH A 234
GLU A 266
 FAD  A 301 (-3.8A)
FAD  A 301 (-3.0A)
None
FAD  A 301 (-3.4A)
None
FAD  A 301 ( 3.9A)
 0.64A 5vw4A-4fk8A:
17.9		 5vw4A-4fk8A:
24.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fk8 FERREDOXIN--NADP
REDUCTASE

(Burkholderia
thailandensis) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		6 THR A 132
GLY A 133
ALA A 135
CYH A 234
GLY A 235
GLU A 266
 FAD  A 301 (-3.0A)
None
FAD  A 301 (-3.4A)
None
None
FAD  A 301 ( 3.9A)
 0.82A 5vw4A-4fk8A:
17.9		 5vw4A-4fk8A:
24.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g1b FLAVOHEMOGLOBIN

(Saccharomyces
cerevisiae) 		PF00042
(Globin)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 SER A 210
GLY A 283
CYH A 362
GLY A 363
GLU A 388
 FAD  A 402 (-3.6A)
None
None
None
FAD  A 402 (-3.6A)
 0.77A 5vw4A-4g1bA:
21.7		 5vw4A-4g1bA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g1c NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Homo sapiens) 		PF02146
(SIR2) 		5 GLY A  60
ALA A  63
GLY A 249
GLU A 277
SER A 251
 CNA  A 402 (-3.0A)
CNA  A 402 (-3.5A)
CNA  A 402 (-3.2A)
CNA  A 402 (-3.4A)
CNA  A 402 (-2.7A)
 1.20A 5vw4A-4g1cA:
3.2		 5vw4A-4g1cA:
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.
4hvm TLMII

(Streptoalloteichus
hindustanus) 		PF00668
(Condensation) 		5 THR A 318
GLY A 321
ALA A 320
GLY A 300
LEU A 274
 None
 1.28A 5vw4A-4hvmA:
undetectable		 5vw4A-4hvmA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k1x NADPH:FERREDOXIN
REDUCTASE

(Rhodobacter
capsulatus) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		7 SER A  67
THR A 130
GLY A 131
ALA A 133
CYH A 232
GLY A 233
GLU A 264
 FAD  A 301 (-3.1A)
FAD  A 301 (-2.8A)
None
FAD  A 301 (-3.5A)
None
None
FAD  A 301 (-2.9A)
 0.76A 5vw4A-4k1xA:
5.3		 5vw4A-4k1xA:
23.42
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.
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus) 		PF02128
(Peptidase_M36) 		5 THR A 524
GLY A 523
ALA A 527
LEU A 516
SER A 512
 None
 1.26A 5vw4A-4k90A:
undetectable		 5vw4A-4k90A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mgg MUCONATE LACTONIZING
ENZYME

(Labrenzia
aggregata) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 THR A 353
ALA A 331
GLY A 351
LEU A 347
SER A 345
 None
 1.17A 5vw4A-4mggA:
undetectable		 5vw4A-4mggA:
19.58
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.
4tkt AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A3266
ALA A3342
CYH A3339
GLY A3311
GLU A3338
 None
 1.31A 5vw4A-4tktA:
undetectable		 5vw4A-4tktA:
19.24
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.
4twi NAD-DEPENDENT
PROTEIN DEACYLASE 1

(Archaeoglobus
fulgidus) 		PF02146
(SIR2) 		5 THR A  19
GLY A 185
ALA A 184
GLY A  22
GLU A  26
 None
 1.24A 5vw4A-4twiA:
undetectable		 5vw4A-4twiA:
23.65
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.
4wib MAGNESIUM
TRANSPORTER MGTE

(Thermus
thermophilus) 		PF01769
(MgtE) 		5 THR A 330
GLY A 327
ALA A 401
LEU A 370
SER A 371
 None
 1.26A 5vw4A-4wibA:
undetectable		 5vw4A-4wibA:
20.20
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.
4wqm TOLUENE-4-MONOOXYGEN
ASE ELECTRON
TRANSFER COMPONENT

(Pseudomonas
mendocina) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 SER A 149
GLY A 210
ALA A 212
CYH A 296
GLY A 297
 FAD  A 402 (-3.0A)
None
FAD  A 402 (-3.3A)
None
None
 0.51A 5vw4A-4wqmA:
22.8		 5vw4A-4wqmA:
23.54
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.
4x00 PUTATIVE HYDROLASE

(Burkholderia
cenocepacia) 		PF12697
(Abhydrolase_6) 		5 GLY A  45
ALA A 193
GLY A  42
LEU A 113
SER A 112
 None
None
None
GOL  A 308 ( 4.4A)
GOL  A 308 (-3.5A)
 1.12A 5vw4A-4x00A:
undetectable		 5vw4A-4x00A:
22.45
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.
4x0l HAPTOGLOBIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 SER C 357
THR C 187
GLY C 353
ALA C 355
GLY C 285
 None
 1.25A 5vw4A-4x0lC:
undetectable		 5vw4A-4x0lC:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x81 MYCINAMICIN III
3''-O-METHYLTRANSFER
ASE

(Micromonospora
griseorubida) 		PF05711
(TylF) 		5 THR A  84
GLY A  85
ALA A 112
GLY A 190
SER A 192
 None
SAH  A 301 (-3.3A)
None
SAH  A 301 ( 4.0A)
SAH  A 301 ( 4.9A)
 1.25A 5vw4A-4x81A:
2.5		 5vw4A-4x81A:
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.
4z38 MLNA

(Bacillus
velezensis) 		no annotation 5 THR A 598
GLY A 599
GLY A 725
LEU A 724
SER A 723
 None
None
None
None
FMN  A 900 (-2.6A)
 1.31A 5vw4A-4z38A:
undetectable		 5vw4A-4z38A:
23.91
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.
4z3n PUTATIVE DRUG/SODIUM
ANTIPORTER

(Escherichia
coli) 		PF01554
(MatE) 		5 GLY A 260
ALA A 262
GLY A  91
LEU A  95
SER A  94
 None
 0.94A 5vw4A-4z3nA:
undetectable		 5vw4A-4z3nA:
17.84
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.
4zih APOPTOSIS REGULATOR
BAX

(Homo sapiens) 		PF00452
(Bcl-2) 		5 THR A  22
GLY A  23
ALA A  24
LEU A  59
SER A  60
 None
 1.25A 5vw4A-4zihA:
undetectable		 5vw4A-4zihA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cju ISOBUTYRYL-COA
MUTASE FUSED

(Cupriavidus
metallidurans) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK) 		5 THR A 217
GLY A 218
ALA A 220
GLY A 313
GLU A 310
 None
GDP  A1104 ( 4.5A)
GDP  A1104 (-4.8A)
None
MG  A1105 (-3.2A)
 1.06A 5vw4A-5cjuA:
undetectable		 5vw4A-5cjuA:
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.
5dm3 L-GLUTAMINE
SYNTHETASE

(Chromohalobacter
salexigens) 		PF00120
(Gln-synt_C) 		5 GLY A 371
ALA A 369
GLY A 374
LEU A 379
GLU A 376
 None
 1.16A 5vw4A-5dm3A:
undetectable		 5vw4A-5dm3A:
19.58
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.
5er3 SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Rhodopirellula
baltica) 		PF13407
(Peripla_BP_4) 		5 SER A 309
GLY A 314
ALA A 313
GLY A 349
GLU A 345
 None
 1.19A 5vw4A-5er3A:
2.4		 5vw4A-5er3A:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fnu KELCH-LIKE
ECH-ASSOCIATED
PROTEIN 1

(Mus musculus) 		PF01344
(Kelch_1) 		5 GLY A 603
ALA A 556
GLY A 333
LEU A 339
SER A 338
 L6I  A1615 (-3.3A)
L6I  A1615 (-2.9A)
None
None
None
 1.24A 5vw4A-5fnuA:
undetectable		 5vw4A-5fnuA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fsh CSM6

(Thermus
thermophilus) 		PF09670
(Cas_Cas02710) 		5 SER A  53
GLY A  72
ALA A  73
GLY A  70
LEU A 181
 None
 1.14A 5vw4A-5fshA:
3.4		 5vw4A-5fshA:
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.
5fuu HIV-1 ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 SER A 481
THR A 450
GLY A 451
LEU A 261
SER A 256
 None
None
None
NAG  A1262 ( 4.2A)
None
 1.28A 5vw4A-5fuuA:
undetectable		 5vw4A-5fuuA:
19.38
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.
5g0a TRANSAMINASE

(Bacillus
megaterium) 		PF00202
(Aminotran_3) 		5 GLY A 279
GLY A 385
LEU A 386
GLU A 362
SER A 360
 None
 1.14A 5vw4A-5g0aA:
undetectable		 5vw4A-5g0aA:
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.
5gxu NADPH--CYTOCHROME
P450 REDUCTASE 2

(Arabidopsis
thaliana) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		6 SER A 492
THR A 570
GLY A 571
ALA A 573
CYH A 664
GLY A 665
 FAD  A 802 (-3.3A)
FAD  A 802 (-3.9A)
None
FAD  A 802 ( 3.8A)
None
None
 0.45A 5vw4A-5gxuA:
30.3		 5vw4A-5gxuA:
18.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h5j FERREDOXIN--NADP
REDUCTASE

(Zea mays) 		PF00175
(NAD_binding_1) 		8 SER A  95
THR A 176
GLY A 177
ALA A 179
CYH A 275
GLY A 276
LEU A 277
GLU A 315
 FAD  A 401 (-3.5A)
FAD  A 401 (-3.3A)
None
FAD  A 401 ( 4.4A)
None
None
None
FAD  A 401 (-3.5A)
 0.57A 5vw4A-5h5jA:
49.6		 5vw4A-5h5jA:
97.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ogx CYTOCHROME P450
REDUCTASE

(Amycolatopsis
methanolica) 		no annotation 7 SER A 148
THR A 215
GLY A 216
ALA A 218
CYH A 302
GLY A 303
GLU A 328
 FAD  A 401 (-3.2A)
FAD  A 401 (-3.5A)
None
FAD  A 401 ( 4.1A)
None
None
FAD  A 401 ( 4.0A)
 0.69A 5vw4A-5ogxA:
23.6		 5vw4A-5ogxA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5sga PROTEINASE A (SGPA)

(Streptomyces
griseus) 		PF00089
(Trypsin) 		5 THR E  54
GLY E  45
ALA E  52
GLU E  29
SER E 141
 None
 0.91A 5vw4A-5sgaE:
undetectable		 5vw4A-5sgaE:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t33 RHPA GP120 CORE

(Human
immunodeficiency
virus) 		PF00516
(GP120) 		5 SER G 481
THR G 450
GLY G 451
LEU G 261
SER G 256
 None
None
None
NAG  G1262 (-4.3A)
None
 1.31A 5vw4A-5t33G:
undetectable		 5vw4A-5t33G:
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.
5thx FERREDOXIN--NADP
REDUCTASE

(Neisseria
gonorrhoeae) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		6 SER A  54
THR A 117
GLY A 118
ALA A 120
CYH A 219
GLU A 252
 FAD  A 303 (-3.8A)
FAD  A 303 (-3.1A)
None
FAD  A 303 (-3.5A)
None
FAD  A 303 ( 4.0A)
 0.58A 5vw4A-5thxA:
7.7		 5vw4A-5thxA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5thx FERREDOXIN--NADP
REDUCTASE

(Neisseria
gonorrhoeae) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		6 THR A 117
GLY A 118
ALA A 120
CYH A 219
GLY A 220
GLU A 252
 FAD  A 303 (-3.1A)
None
FAD  A 303 (-3.5A)
None
None
FAD  A 303 ( 4.0A)
 0.66A 5vw4A-5thxA:
7.7		 5vw4A-5thxA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tr9 FERREDOXIN-NADP
REDUCTASE

(Neisseria
gonorrhoeae) 		PF00175
(NAD_binding_1) 		5 GLY A 131
ALA A 133
CYH A 232
GLY A 233
GLU A 264
 None
FAD  A 301 ( 3.7A)
None
None
FAD  A 301 ( 4.6A)
 0.68A 5vw4A-5tr9A:
21.3		 5vw4A-5tr9A:
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.
5tr9 FERREDOXIN-NADP
REDUCTASE

(Neisseria
gonorrhoeae) 		PF00175
(NAD_binding_1) 		5 SER A  67
GLY A 131
ALA A 133
CYH A 232
GLU A 264
 FAD  A 301 (-3.9A)
None
FAD  A 301 ( 3.7A)
None
FAD  A 301 ( 4.6A)
 0.62A 5vw4A-5tr9A:
21.3		 5vw4A-5tr9A:
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.
5tr9 FERREDOXIN-NADP
REDUCTASE

(Neisseria
gonorrhoeae) 		PF00175
(NAD_binding_1) 		5 SER A  67
GLY A 131
ALA A 133
CYH A 232
GLY A 266
 FAD  A 301 (-3.9A)
None
FAD  A 301 ( 3.7A)
None
FAD  A 301 (-4.9A)
 0.96A 5vw4A-5tr9A:
21.3		 5vw4A-5tr9A:
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.
5wdu ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		no annotation 5 SER G 481
THR G 450
GLY G 451
LEU G 261
SER G 256
 None
None
None
NAG  G 627 ( 4.8A)
None
 1.19A 5vw4A-5wduG:
undetectable		 5vw4A-5wduG:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xks THERMOSTABLE
MONOACYLGLYCEROL
LIPASE

(Geobacillus sp.
12AMOR1) 		no annotation 5 THR A  30
GLY A  31
ALA A 158
GLY A  28
SER A  97
 None
 0.67A 5vw4A-5xksA:
undetectable		 5vw4A-5xksA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bwt THIOREDOXIN
REDUCTASE

(Francisella
tularensis) 		no annotation 5 GLY A 151
ALA A 240
GLY A 152
LEU A 179
SER A 181
 None
None
SO4  A 404 ( 4.1A)
None
None
 1.01A 5vw4A-6bwtA:
2.3		 5vw4A-6bwtA:
undetectable