SIMILAR PATTERNS OF AMINO ACIDS FOR 4BLV_B_SAMB1281

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.
1ao3 VON WILLEBRAND
FACTOR

(Homo sapiens) 		PF00092
(VWA) 		5 ASP A  12
GLY A  81
SER A  14
LEU A  89
ASP A 117
 None
 1.22A 4blvB-1ao3A:
undetectable		 4blvB-1ao3A:
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.
1dut DUTP PYROPHOSPHATASE

(Feline
immunodeficiency
virus) 		PF00692
(dUTPase) 		5 GLY A  54
GLY A  59
SER A  56
LEU A 101
GLY A  17
 None
 1.25A 4blvB-1dutA:
undetectable		 4blvB-1dutA:
21.15
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.
1eh5 PALMITOYL PROTEIN
THIOESTERASE 1

(Bos taurus) 		PF02089
(Palm_thioest) 		5 HIS A 289
HIS A  39
GLY A 113
GLY A 140
LEU A  70
 None
 1.18A 4blvB-1eh5A:
1.3		 4blvB-1eh5A:
20.13
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.
1eu1 DIMETHYL SULFOXIDE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 ASP A 200
HIS A 201
GLY A 364
SER A 365
GLY A  15
 None
 0.93A 4blvB-1eu1A:
undetectable		 4blvB-1eu1A:
17.16
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.
1gz7 LIPASE 2

(Diutina rugosa) 		PF00135
(COesterase) 		5 ASP A 337
HIS A 449
GLY A 411
LEU A 344
GLY A 450
 None
 1.23A 4blvB-1gz7A:
1.8		 4blvB-1gz7A:
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.
1ia7 CELLULASE CEL9M

([Clostridium]
cellulolyticum) 		PF00759
(Glyco_hydro_9) 		5 ASP A  56
GLY A  64
GLY A  68
LEU A 142
GLY A 122
 None
 1.24A 4blvB-1ia7A:
undetectable		 4blvB-1ia7A:
19.69
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.
1ia7 CELLULASE CEL9M

([Clostridium]
cellulolyticum) 		PF00759
(Glyco_hydro_9) 		5 GLY A  64
GLY A  68
LEU A 142
GLY A 120
ASP A  56
 None
 1.09A 4blvB-1ia7A:
undetectable		 4blvB-1ia7A:
19.69
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.
1ii2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Trypanosoma
cruzi) 		PF01293
(PEPCK_ATP) 		5 LYS A 186
GLY A 221
GLY A 384
LEU A 230
ASP A 242
 None
 1.14A 4blvB-1ii2A:
undetectable		 4blvB-1ii2A:
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.
1itu RENAL DIPEPTIDASE

(Homo sapiens) 		PF01244
(Peptidase_M19) 		5 ASP A 195
GLY A 123
GLY A  19
SER A 218
GLY A 127
 None
 0.87A 4blvB-1ituA:
undetectable		 4blvB-1ituA:
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.
1itu RENAL DIPEPTIDASE

(Homo sapiens) 		PF01244
(Peptidase_M19) 		5 ASP A 195
GLY A 123
GLY A  19
SER A 218
LEU A 140
 None
 1.13A 4blvB-1ituA:
undetectable		 4blvB-1ituA:
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.
1li7 CYSTEINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF01406
(tRNA-synt_1e)
PF09190
(DALR_2) 		6 HIS A  40
ASP A 229
HIS A 256
GLY A 258
GLY A  39
HIS A 297
 None
 1.48A 4blvB-1li7A:
1.4		 4blvB-1li7A:
19.35
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.
1lt8 BETAINE-HOMOCYSTEINE
METHYLTRANSFERASE

(Homo sapiens) 		PF02574
(S-methyl_trans) 		5 GLY A 297
TYR A 295
SER A  68
LEU A 249
GLY A 301
 None
 1.19A 4blvB-1lt8A:
undetectable		 4blvB-1lt8A:
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.
1p3y MRSD PROTEIN

(Bacillus sp.
HIL-Y85/54728) 		PF02441
(Flavoprotein) 		5 HIS 1  73
TYR 1  85
GLY 1  14
HIS 1  75
GLY 1  67
 None
 1.07A 4blvB-1p3y1:
3.1		 4blvB-1p3y1:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r6a GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		5 ASP A  79
GLY A  83
GLY A  86
HIS A 110
ASP A 146
 SAH  A 887 ( 4.8A)
SAH  A 887 (-3.6A)
SAH  A 887 (-3.3A)
SO4  A 901 ( 3.9A)
SAH  A 887 (-3.9A)
 1.01A 4blvB-1r6aA:
7.8		 4blvB-1r6aA:
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.
1vrg PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT

(Thermotoga
maritima) 		PF01039
(Carboxyl_trans) 		5 LYS A  34
ASP A  94
GLY A  99
LEU A 102
ASP A 129
 None
 1.11A 4blvB-1vrgA:
undetectable		 4blvB-1vrgA:
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.
1wdw TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Pyrococcus
furiosus) 		PF00290
(Trp_syntA) 		5 GLY A 231
LEU A  59
HIS A  55
GLY A  62
ASP A  17
 None
 1.18A 4blvB-1wdwA:
undetectable		 4blvB-1wdwA:
26.16
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.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01039
(Carboxyl_trans) 		5 LYS A  40
ASP A 100
GLY A 105
LEU A 108
ASP A 135
 None
 1.15A 4blvB-1x0uA:
undetectable		 4blvB-1x0uA:
21.40
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.
1xny PROPIONYL-COA
CARBOXYLASE COMPLEX
B SUBUNIT

(Streptomyces
coelicolor) 		PF01039
(Carboxyl_trans) 		5 LYS A  45
ASP A 105
GLY A 110
LEU A 113
ASP A 140
 None
None
1VU  A5601 ( 4.2A)
None
None
 1.12A 4blvB-1xnyA:
undetectable		 4blvB-1xnyA:
20.11
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.
1xzw PURPLE ACID
PHOSPHATASE

(Ipomoea batatas) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		5 ASP A 360
HIS A 388
GLY A 133
GLY A 321
LEU A 145
 None
 1.15A 4blvB-1xzwA:
undetectable		 4blvB-1xzwA:
20.54
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.
1ytm PHOSPHOENOLPYRUVATE
CARBOXYKINASE [ATP]

(Anaerobiospirillum
succiniciproducens) 		PF01293
(PEPCK_ATP) 		5 LYS A 206
GLY A 242
GLY A 404
LEU A 251
ASP A 263
 MN  A 999 ( 2.4A)
None
None
ATP  A 541 ( 4.5A)
MN  A 999 (-2.5A)
 1.13A 4blvB-1ytmA:
undetectable		 4blvB-1ytmA:
20.33
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.
2gre DEBLOCKING
AMINOPEPTIDASE

(Bacillus cereus) 		PF05343
(Peptidase_M42) 		5 ASP A 289
GLY A 243
GLY A 314
SER A 257
GLY A 246
 None
 1.02A 4blvB-2greA:
undetectable		 4blvB-2greA:
22.55
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.
2h8o GERANYLTRANSTRANSFER
ASE

(Agrobacterium
fabrum) 		PF00348
(polyprenyl_synt) 		5 GLY A 233
GLY A 238
SER A 239
LEU A  92
GLY A 251
 None
 1.22A 4blvB-2h8oA:
undetectable		 4blvB-2h8oA:
22.00
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.
2inf UROPORPHYRINOGEN
DECARBOXYLASE

(Bacillus
subtilis) 		PF01208
(URO-D) 		5 HIS A 250
ASP A 266
GLY A 245
GLY A 212
GLY A 285
 None
 0.98A 4blvB-2infA:
undetectable		 4blvB-2infA:
23.86
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.
2jd4 LAMININ SUBUNIT
ALPHA-1

(Mus musculus) 		PF00054
(Laminin_G_1)
PF02210
(Laminin_G_2) 		5 HIS A2840
HIS A2708
GLY A2824
GLY A2735
HIS A2699
 None
 1.19A 4blvB-2jd4A:
undetectable		 4blvB-2jd4A:
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.
2o5p FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug) 		5 GLY A 409
TYR A  72
GLY A  56
SER A  57
LEU A 461
 None
 1.20A 4blvB-2o5pA:
undetectable		 4blvB-2o5pA:
16.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oo3 PROTEIN INVOLVED IN
CATABOLISM OF
EXTERNAL DNA

(Legionella
pneumophila) 		PF04378
(RsmJ) 		11 LYS A  18
HIS A  19
HIS A  42
GLY A  44
TYR A  48
GLY A 100
SER A 101
LEU A 120
HIS A 121
GLY A 145
ASP A 165
 None
 0.71A 4blvB-2oo3A:
38.2		 4blvB-2oo3A:
38.80
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.
2ot3 RAS-RELATED PROTEIN
RAB-21

(Homo sapiens) 		PF00071
(Ras) 		5 GLY B  77
GLY B  28
LEU B  84
HIS B  82
ASP B  74
 None
 1.16A 4blvB-2ot3B:
undetectable		 4blvB-2ot3B:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qfr PURPLE ACID
PHOSPHATASE

(Phaseolus
vulgaris) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		5 ASP A 361
HIS A 389
GLY A 134
GLY A 322
LEU A 146
 None
 1.16A 4blvB-2qfrA:
undetectable		 4blvB-2qfrA:
20.75
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.
2vsq SURFACTIN SYNTHETASE
SUBUNIT 3

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 GLY A 538
GLY A 514
SER A 515
LEU A 532
GLY A 530
 None
 1.24A 4blvB-2vsqA:
undetectable		 4blvB-2vsqA:
13.49
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.
2wzm ALDO-KETO REDUCTASE

(Mycolicibacterium
smegmatis) 		PF00248
(Aldo_ket_red) 		5 ASP A 121
GLY A 119
LEU A  84
HIS A 116
GLY A  90
 None
 1.24A 4blvB-2wzmA:
undetectable		 4blvB-2wzmA:
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.
2x3l ORN/LYS/ARG
DECARBOXYLASE FAMILY
PROTEIN

(Staphylococcus
aureus) 		PF01276
(OKR_DC_1)
PF03711
(OKR_DC_1_C) 		5 HIS A 335
HIS A 187
GLY A  25
GLY A  32
GLY A 185
 None
 1.09A 4blvB-2x3lA:
3.0		 4blvB-2x3lA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x7i MEVALONATE KINASE

(Staphylococcus
aureus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A  98
GLY A 271
SER A 273
GLY A  35
ASP A 178
 CIT  A1307 (-3.3A)
CL  A1308 ( 4.9A)
None
None
None
 1.19A 4blvB-2x7iA:
undetectable		 4blvB-2x7iA:
23.80
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.
2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF03714
(PUD) 		5 HIS A 941
TYR A 946
GLY A 943
SER A 942
GLY A 613
 NA  A2153 (-4.3A)
None
None
None
None
 1.23A 4blvB-2ya1A:
undetectable		 4blvB-2ya1A:
14.43
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.
2ys6 PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE

(Geobacillus
kaustophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 HIS A 213
GLY A 271
SER A 194
GLY A 413
ASP A 212
 None
None
None
None
GLY  A 431 (-3.5A)
 1.12A 4blvB-2ys6A:
undetectable		 4blvB-2ys6A:
22.10
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.
2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Aquifex
aeolicus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 HIS A 213
GLY A 271
SER A 194
GLY A 415
ASP A 212
 None
 1.13A 4blvB-2yw2A:
1.9		 4blvB-2yw2A:
19.95
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.
2zwa LEUCINE CARBOXYL
METHYLTRANSFERASE 2

(Saccharomyces
cerevisiae) 		PF04072
(LCM)
PF13418
(Kelch_4) 		5 HIS A 443
TYR A 402
GLY A 405
LEU A 655
GLY A 615
 None
None
None
EDO  A 697 (-4.0A)
EDO  A 697 (-4.8A)
 1.24A 4blvB-2zwaA:
9.8		 4blvB-2zwaA:
16.12
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.
3btp SINGLE-STRAND
DNA-BINDING PROTEIN
PROTEIN VIRE1

(Agrobacterium
fabrum;
Agrobacterium
fabrum) 		PF07229
(VirE2)
PF12189
(VirE1) 		5 ASP B  40
GLY B  35
TYR A 250
SER A 311
HIS B  31
 None
NH4  B 603 (-3.7A)
None
None
None
 1.13A 4blvB-3btpB:
undetectable		 4blvB-3btpB:
11.23
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.
3c2q UNCHARACTERIZED
CONSERVED PROTEIN

(Methanococcus
maripaludis) 		no annotation 5 GLY A 222
SER A 250
LEU A 350
GLY A 213
ASP A 247
 None
 1.19A 4blvB-3c2qA:
undetectable		 4blvB-3c2qA:
19.66
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.
3cr3 PTS-DEPENDENT
DIHYDROXYACETONE
KINASE, ADP-BINDING
SUBUNIT DHAL
PTS-DEPENDENT
DIHYDROXYACETONE
KINASE,
PHOSPHOTRANSFERASE
SUBUNIT DHAM

(Lactococcus
lactis;
Lactococcus
lactis) 		PF02734
(Dak2)
PF03610
(EIIA-man) 		5 HIS C  10
ASP A  36
HIS A  37
GLY A  33
LEU A  28
 None
MG  A1212 (-2.5A)
ADP  A1211 (-4.0A)
None
None
 0.97A 4blvB-3cr3C:
undetectable		 4blvB-3cr3C:
19.03
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.
3d1c FLAVIN-CONTAINING
PUTATIVE
MONOOXYGENASE

(Staphylococcus
aureus) 		PF13738
(Pyr_redox_3) 		5 HIS A 153
ASP A 140
GLY A 268
LEU A 316
GLY A 306
 None
UNL  A 501 ( 4.7A)
UNL  A 501 ( 4.0A)
None
FAD  A 500 (-3.5A)
 0.94A 4blvB-3d1cA:
undetectable		 4blvB-3d1cA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		5 ASP A  79
GLY A  83
GLY A  86
HIS A 110
ASP A 146
 SAH  A 901 ( 4.9A)
SAH  A 901 (-3.3A)
SAH  A 901 (-3.1A)
SAH  A 901 (-3.8A)
SAH  A 901 (-3.8A)
 1.17A 4blvB-3evcA:
6.8		 4blvB-3evcA:
22.93
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.
3iiw POLYCOMB PROTEIN EED

(Homo sapiens) 		PF00400
(WD40) 		5 ASP A 257
HIS A 213
GLY A 234
SER A 259
HIS A 295
 None
 1.22A 4blvB-3iiwA:
undetectable		 4blvB-3iiwA:
23.88
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.
3ist GLUTAMATE RACEMASE

(Listeria
monocytogenes) 		PF01177
(Asp_Glu_race) 		5 GLY A  13
TYR A  32
SER A  10
LEU A 181
GLY A 115
 None
None
SIN  A 267 (-2.5A)
None
None
 1.22A 4blvB-3istA:
undetectable		 4blvB-3istA:
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.
3k5w CARBOHYDRATE KINASE

(Helicobacter
pylori) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		5 ASP A 120
GLY A 124
GLY A 155
SER A 154
GLY A  61
 None
PO4  A 501 (-3.4A)
None
None
None
 1.04A 4blvB-3k5wA:
undetectable		 4blvB-3k5wA:
19.88
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.
3l9r CD1B3

(Bos taurus) 		PF07654
(C1-set)
PF16497
(MHC_I_3) 		5 TYR A 212
GLY A   6
LEU A  50
GLY A  30
ASP A  34
 None
None
None
L9R  A 284 ( 4.8A)
None
 1.14A 4blvB-3l9rA:
undetectable		 4blvB-3l9rA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lkz NON-STRUCTURAL
PROTEIN 5

(West Nile virus) 		PF01728
(FtsJ) 		5 ASP A  79
GLY A  83
GLY A  86
HIS A 110
ASP A 146
 SFG  A 301 ( 4.9A)
SFG  A 301 (-3.3A)
SFG  A 301 (-3.4A)
SFG  A 301 (-3.9A)
SFG  A 301 (-3.8A)
 1.21A 4blvB-3lkzA:
undetectable		 4blvB-3lkzA:
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.
3mjf PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Yersinia pestis) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 HIS A 215
GLY A 273
SER A 196
GLY A 420
ASP A 214
 GOL  A 501 (-3.9A)
None
None
None
NA  A 513 ( 3.1A)
 1.15A 4blvB-3mjfA:
undetectable		 4blvB-3mjfA:
21.63
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.
3n2z LYSOSOMAL PRO-X
CARBOXYPEPTIDASE

(Homo sapiens) 		PF05577
(Peptidase_S28) 		5 HIS B 456
TYR B  89
GLY B 178
SER B 179
GLY B 355
 None
 1.17A 4blvB-3n2zB:
undetectable		 4blvB-3n2zB:
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.
3ncy ADIC

(Salmonella
enterica) 		PF13520
(AA_permease_2) 		5 ASP A  67
GLY A  71
SER A  69
LEU A 374
GLY A 376
 None
 1.23A 4blvB-3ncyA:
undetectable		 4blvB-3ncyA:
19.59
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.
3r4z GLYCOSYL HYDROLASE
FAMILY 32, N
TERMINAL

(Saccharophagus
degradans) 		PF04616
(Glyco_hydro_43) 		5 ASP A  84
GLY A  76
GLY A  78
SER A  79
GLY A  72
 None
 1.20A 4blvB-3r4zA:
undetectable		 4blvB-3r4zA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 ASP A 114
GLY A 118
GLY A 151
SER A 150
GLY A  56
 K  A 491 (-3.2A)
ADP  A 494 (-3.2A)
None
K  A 491 (-3.0A)
None
 1.15A 4blvB-3rreA:
undetectable		 4blvB-3rreA:
21.34
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.
3s2j DIPEPTIDASE

(Streptomyces
coelicolor) 		PF01244
(Peptidase_M19) 		5 ASP A 188
GLY A 121
GLY A  19
SER A 211
GLY A 125
 None
 0.90A 4blvB-3s2jA:
undetectable		 4blvB-3s2jA:
20.88
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.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 ASP A 321
GLY A 257
GLY A 285
LEU A 318
GLY A 351
 OAN  A2000 (-4.0A)
None
None
None
None
 1.23A 4blvB-3sutA:
undetectable		 4blvB-3sutA:
20.50
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.
3szb ALDEHYDE
DEHYDROGENASE

(Homo sapiens) 		PF00171
(Aldedh) 		5 HIS A 393
GLY A 403
GLY A 384
LEU A 208
GLY A 187
 None
 1.11A 4blvB-3szbA:
4.1		 4blvB-3szbA:
22.13
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.
3t6c PUTATIVE MAND FAMILY
DEHYDRATASE

(Pantoea
ananatis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 129
HIS A 127
TYR A 199
GLY A 160
LEU A 221
 None
None
None
EDO  A 703 (-4.2A)
None
 1.24A 4blvB-3t6cA:
undetectable		 4blvB-3t6cA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vnk XYLOSE ISOMERASE
DOMAIN PROTEIN TIM
BARREL

([Clostridium]
cellulolyticum) 		PF01261
(AP_endonuc_2) 		5 GLY A 206
GLY A 239
SER A 240
LEU A 149
GLY A 106
 None
None
None
None
FUD  A 301 ( 4.0A)
 0.78A 4blvB-3vnkA:
undetectable		 4blvB-3vnkA:
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.
3x2z UPF0173
METAL-DEPENDENT
HYDROLASE TM_1162

(Thermotoga
maritima) 		PF12706
(Lactamase_B_2) 		5 HIS A 138
HIS A  50
LEU A 113
GLY A 111
ASP A 141
 None
NI  A 301 (-3.3A)
None
None
NI  A 302 ( 2.5A)
 0.98A 4blvB-3x2zA:
undetectable		 4blvB-3x2zA:
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		5 GLY A 157
TYR A  93
GLY A 241
LEU A 196
GLY A 194
 None
 1.21A 4blvB-4a01A:
undetectable		 4blvB-4a01A:
15.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4blu RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Escherichia
coli) 		PF04378
(RsmJ) 		11 LYS A  18
HIS A  19
ASP A  40
HIS A  42
GLY A  44
TYR A  48
GLY A  99
LEU A 119
HIS A 120
GLY A 144
ASP A 164
 TRS  A1281 ( 2.8A)
None
None
None
EDO  A1284 ( 4.7A)
EDO  A1283 (-3.6A)
EDO  A1283 ( 3.8A)
None
None
None
TRS  A1281 ( 3.0A)
 0.45A 4blvB-4bluA:
49.2		 4blvB-4bluA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4blu RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Escherichia
coli) 		PF04378
(RsmJ) 		10 LYS A  18
HIS A  19
HIS A  42
TYR A  48
GLY A  99
SER A 100
LEU A 119
HIS A 120
GLY A 144
ASP A 164
 TRS  A1281 ( 2.8A)
None
None
EDO  A1283 (-3.6A)
EDO  A1283 ( 3.8A)
None
None
None
None
TRS  A1281 ( 3.0A)
 0.67A 4blvB-4bluA:
49.2		 4blvB-4bluA:
100.00
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 GLY A 137
TYR A  11
GLY A 117
SER A 118
GLY A 283
 None
 0.90A 4blvB-4bz7A:
3.1		 4blvB-4bz7A:
20.13
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.
4ci8 ECHINODERM
MICROTUBULE-ASSOCIAT
ED PROTEIN-LIKE 1

(Homo sapiens) 		PF00400
(WD40)
PF03451
(HELP) 		5 HIS A 783
GLY A 757
SER A 755
HIS A 786
GLY A 782
 None
 1.24A 4blvB-4ci8A:
undetectable		 4blvB-4ci8A:
17.24
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.
4cnt DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 GLY A 466
LEU A 454
HIS A 460
GLY A 100
ASP A 408
 None
 1.16A 4blvB-4cntA:
undetectable		 4blvB-4cntA:
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.
4epa PESTICIN RECEPTOR

(Yersinia pestis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY A 625
TYR A 232
GLY A  61
SER A  60
GLY A 583
 None
 1.19A 4blvB-4epaA:
undetectable		 4blvB-4epaA:
17.67
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.
4fzv PUTATIVE
METHYLTRANSFERASE
NSUN4

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		5 ASP A 179
GLY A 186
LEU A 205
GLY A 238
ASP A 255
 SAM  A 401 ( 4.2A)
SAM  A 401 (-3.9A)
SAM  A 401 (-3.8A)
SAM  A 401 (-3.5A)
SAM  A 401 (-3.7A)
 0.79A 4blvB-4fzvA:
8.7		 4blvB-4fzvA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hqn SPOROZOITE SURFACE
PROTEIN 2

(Plasmodium
vivax) 		PF00090
(TSP_1)
PF00092
(VWA) 		5 ASP A 158
GLY A  51
GLY A  53
SER A  54
LEU A  48
 MN  A 301 ( 4.0A)
None
None
MN  A 301 (-2.1A)
None
 1.07A 4blvB-4hqnA:
undetectable		 4blvB-4hqnA:
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.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 HIS A 753
TYR A  59
GLY A  71
LEU A 754
HIS A 755
 None
 1.18A 4blvB-4iglA:
undetectable		 4blvB-4iglA:
11.42
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.
4ip4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Ruegeria sp.
TM1040) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 HIS A 349
ASP A 246
TYR A  32
GLY A 351
GLY A 220
 GOL  A 501 (-3.8A)
MG  A 503 (-2.6A)
GOL  A 501 (-4.5A)
GOL  A 501 (-3.5A)
None
 1.16A 4blvB-4ip4A:
undetectable		 4blvB-4ip4A:
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 ASP A  79
GLY A  83
GLY A  86
HIS A 110
ASP A 146
 None
SAH  A1001 ( 3.7A)
SAH  A1001 (-3.2A)
SAH  A1001 ( 3.6A)
SAH  A1001 (-3.6A)
 1.19A 4blvB-4k6mA:
4.1		 4blvB-4k6mA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mtk VGRG1

(Pseudomonas
aeruginosa) 		PF05954
(Phage_GPD) 		5 HIS A 299
GLY A 290
SER A 342
LEU A 300
GLY A 298
 None
 1.04A 4blvB-4mtkA:
undetectable		 4blvB-4mtkA:
18.51
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.
4n7w TRANSPORTER,
SODIUM/BILE ACID
SYMPORTER FAMILY

(Yersinia
frederiksenii) 		PF01758
(SBF) 		5 HIS A 226
GLY A 256
SER A 233
HIS A 286
GLY A 100
 None
None
None
CIT  A 401 (-4.0A)
None
 1.12A 4blvB-4n7wA:
undetectable		 4blvB-4n7wA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nmn REPLICATIVE DNA
HELICASE

(Aquifex
aeolicus) 		PF00772
(DnaB)
PF03796
(DnaB_C) 		5 ASP A 386
HIS A 197
GLY A 199
LEU A 182
GLY A 195
 None
 1.05A 4blvB-4nmnA:
5.8		 4blvB-4nmnA:
21.16
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.
4tlg SEC14-LIKE PROTEIN 4

(Homo sapiens) 		PF00650
(CRAL_TRIO) 		5 HIS A 162
GLY A 261
GLY A 104
LEU A  82
ASP A 107
 EDO  A 509 ( 3.6A)
None
None
None
EDO  A 509 (-3.7A)
 1.14A 4blvB-4tlgA:
undetectable		 4blvB-4tlgA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u6v FAB, ANTIGEN BINDING
FRAGMENT, HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 HIS H  32
GLY H  52
TYR H  58
GLY H  50
ASP H  98
 None
 1.25A 4blvB-4u6vH:
undetectable		 4blvB-4u6vH:
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.
4w8k CAS1 PROTEIN

(Vibrio phage
ICP1) 		PF01867
(Cas_Cas1) 		5 HIS A 168
GLY A 170
SER A 175
LEU A 165
GLY A 155
 None
 1.13A 4blvB-4w8kA:
undetectable		 4blvB-4w8kA:
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.
4x9e DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE

(Escherichia
coli) 		PF01966
(HD) 		5 HIS A 451
GLY A 120
GLY A 487
HIS A 117
GLY A 234
 None
None
None
MG  A1000 (-3.5A)
None
 1.08A 4blvB-4x9eA:
undetectable		 4blvB-4x9eA:
21.09
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.
4xg1 DIAMINOPIMELATE
DECARBOXYLASE

(Psychromonas
ingrahamii) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ASP A  80
GLY A 238
SER A 103
LEU A 241
GLY A 276
 LLP  A 508 (-4.0A)
LLP  A 508 ( 4.7A)
LLP  A 508 (-3.5A)
None
LLP  A 508 (-3.2A)
 1.24A 4blvB-4xg1A:
undetectable		 4blvB-4xg1A:
21.40
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 GLY A1363
GLY A1399
LEU A1369
GLY A1371
ASP A1406
 None
 0.98A 4blvB-5a22A:
undetectable		 4blvB-5a22A:
8.55
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.
5b26 PROTEIN SEL-1
HOMOLOG 1

(Mus musculus) 		PF08238
(Sel1) 		5 GLY A 450
SER A 447
LEU A 508
GLY A 513
ASP A 480
 None
 1.21A 4blvB-5b26A:
undetectable		 4blvB-5b26A:
22.68
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.
5dnw SHKAI2IB

(Striga
hermonthica) 		PF12697
(Abhydrolase_6) 		5 HIS A  94
GLY A  25
SER A  95
LEU A 125
GLY A 132
 None
 1.24A 4blvB-5dnwA:
undetectable		 4blvB-5dnwA:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5exk LIPOYL SYNTHASE

(Mycobacterium
tuberculosis) 		PF04055
(Radical_SAM)
PF16881
(LIAS_N) 		5 ASP A 127
TYR A 136
GLY A 132
GLY A  93
ASP A 126
 None
 1.14A 4blvB-5exkA:
undetectable		 4blvB-5exkA:
23.16
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.
5hdi CYTOCHROME P450 144

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 HIS A 325
HIS A 376
GLY A 351
GLY A 324
GLY A 375
 HEM  A 501 (-3.6A)
None
None
None
None
 1.18A 4blvB-5hdiA:
undetectable		 4blvB-5hdiA:
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.
5ho9 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 GLY A 303
GLY A 297
LEU A 326
HIS A 395
GLY A 330
 None
 1.22A 4blvB-5ho9A:
undetectable		 4blvB-5ho9A:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hp6 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF13385
(Laminin_G_3)
PF16369
(GH43_C) 		5 GLY A 303
GLY A 297
LEU A 326
HIS A 395
GLY A 330
 None
None
TRS  A 903 (-4.4A)
CA  A 902 ( 3.7A)
None
 1.24A 4blvB-5hp6A:
undetectable		 4blvB-5hp6A:
15.65
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.
5i84 PHOSPHATE-BINDING
PROTEIN PSTS

(Xanthomonas
citri) 		PF12849
(PBP_like_2) 		5 ASP A  80
GLY A  61
SER A  62
LEU A 220
GLY A 101
 None
 0.99A 4blvB-5i84A:
undetectable		 4blvB-5i84A:
22.62
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.
5ikm NS5 METHYL
TRANSFERASE

(Dengue virus) 		PF01728
(FtsJ) 		5 ASP A  79
GLY A  83
GLY A  86
HIS A 110
ASP A 146
 SAM  A 311 ( 4.9A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.3A)
SAM  A 311 (-4.1A)
SAM  A 311 (-3.8A)
 1.16A 4blvB-5ikmA:
6.3		 4blvB-5ikmA:
21.10
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.
5inf CARBOXYL TRANSFERASE

(Streptomyces
ambofaciens) 		PF01039
(Carboxyl_trans) 		5 LYS A  48
ASP A 106
HIS A 105
GLY A 111
ASP A 141
 None
 0.87A 4blvB-5infA:
undetectable		 4blvB-5infA:
21.13
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.
5m04 GTPASE OBGE/CGTA

(Escherichia
coli) 		PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1) 		5 HIS A   0
GLY A 224
GLY A  -2
SER A  -1
GLY A 216
 None
 1.25A 4blvB-5m04A:
undetectable		 4blvB-5m04A:
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.
5mkk MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN

(Thermus
thermophilus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 HIS B 400
GLY B 337
GLY B 399
LEU B 496
GLY B 415
 None
 1.24A 4blvB-5mkkB:
undetectable		 4blvB-5mkkB:
19.55
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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 5 ASP A  79
GLY A  83
GLY A  86
HIS A 110
ASP A 146
 SAH  A1001 ( 4.9A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-4.0A)
SAH  A1001 (-3.7A)
 1.11A 4blvB-5njuA:
undetectable		 4blvB-5njuA:
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.
5nth PUTATIVE
AMINOPEPTIDASE

(Leishmania
major) 		PF00883
(Peptidase_M17) 		5 ASP A 513
GLY A 422
GLY A 489
SER A 490
HIS A 315
 None
BB2  A 604 (-3.8A)
None
None
BB2  A 604 (-3.5A)
 1.17A 4blvB-5nthA:
undetectable		 4blvB-5nthA:
18.53
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.
5uoh CARBOXYLESTERASE A

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		5 ASP A 324
TYR A 381
GLY A 379
LEU A 365
GLY A 362
 None
 1.06A 4blvB-5uohA:
undetectable		 4blvB-5uohA:
22.33
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.
5uqr 2-METHYLCITRATE
SYNTHASE,
MITOCHONDRIAL

(Aspergillus
fumigatus) 		no annotation 5 HIS A 266
GLY A 431
TYR A 293
GLY A 296
SER A 275
 None
None
None
None
OAA  A 501 ( 4.9A)
 1.20A 4blvB-5uqrA:
undetectable		 4blvB-5uqrA:
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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ASP A 444
GLY A 402
LEU A 467
HIS A  21
GLY A  52
 MN  A 602 (-2.6A)
None
None
None
None
 1.19A 4blvB-5vpuA:
undetectable		 4blvB-5vpuA:
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.
5xgs RCC1-LIKE G
EXCHANGING
FACTOR-LIKE PROTEIN

(Homo sapiens) 		PF00415
(RCC1)
PF13540
(RCC1_2) 		5 HIS A 185
GLY A 292
TYR A 116
GLY A 182
GLY A 308
 None
 0.98A 4blvB-5xgsA:
undetectable		 4blvB-5xgsA:
19.10
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.
5y9d ACYL-COENZYME A
OXIDASE 1

(Yarrowia
lipolytica) 		no annotation 5 ASP A 436
GLY A 244
SER A 103
GLY A 429
ASP A 101
 None
 1.24A 4blvB-5y9dA:
undetectable		 4blvB-5y9dA:
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.
6a91 -

(-) 		no annotation 5 HIS A 392
GLY A 329
GLY A 389
LEU A 344
GLY A 346
 None
 1.15A 4blvB-6a91A:
undetectable		 4blvB-6a91A:
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.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Moorella
thermoacetica) 		no annotation 5 HIS A 125
GLY A 171
SER A 364
GLY A 275
ASP A 124
 None
 1.22A 4blvB-6cipA:
undetectable		 4blvB-6cipA:
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.
6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)

(Escherichia
coli) 		no annotation 5 LYS A 213
GLY A 248
GLY A 410
LEU A 257
ASP A 269
 MN  A 604 ( 2.1A)
None
None
ATP  A 601 ( 4.5A)
MN  A 604 ( 2.5A)
 1.20A 4blvB-6d5iA:
undetectable		 4blvB-6d5iA:
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.
6fyd PUTATIVE
FAD-DEPENDENT
OXYGENASE ENCM

(Streptomyces
maritimus) 		no annotation 5 HIS A  83
GLY A  77
GLY A  82
HIS A 138
GLY A 114
 FAD  A 600 ( 4.7A)
FAD  A 600 (-3.5A)
None
None
None
 1.16A 4blvB-6fydA:
undetectable		 4blvB-6fydA:
undetectable