SIMILAR PATTERNS OF AMINO ACIDS FOR 4BLV_A_SAMA1281

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.
1eh5 PALMITOYL PROTEIN
THIOESTERASE 1

(Bos taurus) 		PF02089
(Palm_thioest) 		5 LEU A 202
HIS A 143
GLY A 245
HIS A 187
GLY A 141
 None
 1.03A 4blvA-1eh5A:
2.3		 4blvA-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.
1f8f BENZYL ALCOHOL
DEHYDROGENASE

(Acinetobacter
calcoaceticus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 342
GLY A 178
GLY A 317
LEU A 204
GLY A 198
 None
None
None
None
NAD  A 375 ( 4.0A)
 0.93A 4blvA-1f8fA:
5.0		 4blvA-1f8fA:
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.
1fhf SEED COAT PEROXIDASE

(Glycine max) 		PF00141
(peroxidase) 		5 LEU A 101
GLY A 112
LEU A  39
HIS A  40
GLY A  76
 None
 0.99A 4blvA-1fhfA:
undetectable		 4blvA-1fhfA:
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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		5 GLY B  46
GLY B  36
ASP B 501
GLY B  66
PRO B  49
 None
 1.11A 4blvA-1k5sB:
undetectable		 4blvA-1k5sB:
20.74
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.
1ocm MALONAMIDASE E2

(Bradyrhizobium
japonicum) 		PF01425
(Amidase) 		5 LEU A 400
GLY A 194
GLY A 140
ASP A 199
GLY A 191
 None
 1.09A 4blvA-1ocmA:
undetectable		 4blvA-1ocmA:
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.
1q1r PUTIDAREDOXIN
REDUCTASE

(Pseudomonas
putida) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 GLY A  11
GLY A 111
LEU A  78
GLY A  80
PRO A  42
 FAD  A 749 (-3.0A)
FAD  A 749 (-3.1A)
None
None
None
 0.92A 4blvA-1q1rA:
2.0		 4blvA-1q1rA:
23.39
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.
1q6y HYPOTHETICAL PROTEIN
YFDW

(Escherichia
coli) 		PF02515
(CoA_transf_3) 		5 LEU A  28
GLY A 175
GLY A 170
LEU A 182
GLY A 124
 None
 1.11A 4blvA-1q6yA:
2.8		 4blvA-1q6yA:
22.40
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.
1r55 ADAM 33

(Homo sapiens) 		PF01421
(Reprolysin) 		6 LEU A 212
TYR A 211
LEU A 214
ASP A 245
GLY A 259
PRO A 409
 None
 1.42A 4blvA-1r55A:
undetectable		 4blvA-1r55A:
25.16
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.
1sfs HYPOTHETICAL PROTEIN

(Geobacillus
stearothermophilus) 		PF08924
(DUF1906) 		5 LEU A  36
TYR A  35
GLY A   7
LEU A  99
GLY A 129
 None
 1.17A 4blvA-1sfsA:
undetectable		 4blvA-1sfsA:
19.13
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.
1suv TRANSFERRIN RECEPTOR
PROTEIN 1

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 LEU A 165
GLY A 415
GLY A 567
LEU A 147
GLY A 422
 None
 1.05A 4blvA-1suvA:
undetectable		 4blvA-1suvA:
18.41
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.
1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, ALPHA
SUBUNIT
PYRUVATE
DEHYDROGENASE E1
COMPONENT, BETA
SUBUNIT

(Geobacillus
stearothermophilus;
Geobacillus
stearothermophilus) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 LEU B  65
GLY A 189
GLY A 227
LEU A 156
PRO B  56
 None
 1.07A 4blvA-1w85B:
2.8		 4blvA-1w85B:
22.90
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.
1xzw PURPLE ACID
PHOSPHATASE

(Ipomoea batatas) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		5 LEU A 283
GLY A 133
GLY A 362
LEU A 159
GLY A 130
 None
 1.17A 4blvA-1xzwA:
undetectable		 4blvA-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.
1yzf LIPASE/ACYLHYDROLASE

(Enterococcus
faecalis) 		PF13472
(Lipase_GDSL_2) 		5 ASP A 160
GLY A 167
GLY A 118
HIS A 169
ASP A 166
 None
 1.15A 4blvA-1yzfA:
3.0		 4blvA-1yzfA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yzf LIPASE/ACYLHYDROLASE

(Enterococcus
faecalis) 		PF13472
(Lipase_GDSL_2) 		5 GLY A 167
GLY A 118
HIS A 169
ASP A 166
PRO A 113
 None
 1.08A 4blvA-1yzfA:
3.0		 4blvA-1yzfA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zj9 PROBABLE
FERREDOXIN-DEPENDENT
NITRITE REDUCTASE
NIRA

(Mycobacterium
tuberculosis) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 LEU A 521
TYR A 524
GLY A 476
GLY A 499
GLY A 479
 None
 1.04A 4blvA-1zj9A:
undetectable		 4blvA-1zj9A:
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.
2afh NITROGENASE
MOLYBDENUM-IRON
PROTEIN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		5 HIS B 396
GLY B 371
GLY B 444
ASP B 372
GLY B 424
 None
 0.87A 4blvA-2afhB:
3.2		 4blvA-2afhB:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cbm NEOCARZINOSTATIN

(Streptomyces
carzinostaticus) 		PF00960
(Neocarzinostat) 		5 LEU A  26
GLY A 102
LEU A  97
ASP A  99
GLY A 107
 None
MES  A1113 (-4.5A)
None
None
MES  A1113 ( 4.2A)
 1.14A 4blvA-2cbmA:
undetectable		 4blvA-2cbmA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e7u GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Thermus
thermophilus) 		PF00202
(Aminotran_3) 		5 LEU A 255
GLY A 243
GLY A 265
LEU A 254
GLY A 354
 None
 0.96A 4blvA-2e7uA:
3.8		 4blvA-2e7uA:
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.
2e7z ACETYLENE HYDRATASE
AHY

(Pelobacter
acetylenicus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 LEU A 199
GLY A 219
GLY A 722
LEU A 224
GLY A 270
 MGD  A 802 (-4.6A)
MGD  A 802 (-3.5A)
None
None
None
 1.17A 4blvA-2e7zA:
undetectable		 4blvA-2e7zA:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gqw FERREDOXIN REDUCTASE

(Pseudomonas sp.
KKS102) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 GLY A  14
GLY A 110
LEU A  77
GLY A  79
PRO A  45
 FAD  A1449 (-3.2A)
FAD  A1449 (-3.3A)
None
None
None
 1.01A 4blvA-2gqwA:
2.4		 4blvA-2gqwA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iv0 ISOCITRATE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00180
(Iso_dh) 		5 LEU A 120
TYR A 121
GLY A 325
GLY A  20
LEU A 118
 None
 1.16A 4blvA-2iv0A:
undetectable		 4blvA-2iv0A:
21.14
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) 		7 LYS A  18
HIS A  42
GLY A  44
GLY A 100
LEU A 120
HIS A 121
GLY A 145
 None
 0.71A 4blvA-2oo3A:
38.9		 4blvA-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.
2ow4 CANAVALIA MARITIMA
LECTIN

(Canavalia rosea) 		PF00139
(Lectin_legB) 		5 LEU A 232
GLY A 171
LEU A 230
GLY A 227
PRO A 222
 None
None
None
MMA  A 242 (-3.5A)
None
 1.16A 4blvA-2ow4A:
undetectable		 4blvA-2ow4A:
18.28
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.
2pbi REGULATOR OF
G-PROTEIN SIGNALING
9
GUANINE
NUCLEOTIDE-BINDING
PROTEIN SUBUNIT BETA
5

(Mus musculus;
Mus musculus) 		PF00610
(DEP)
PF00615
(RGS)
PF00631
(G-gamma)
PF00400
(WD40) 		5 LYS A 224
HIS B 194
HIS B 152
ASP B 174
GLY B 216
 None
 1.14A 4blvA-2pbiA:
undetectable		 4blvA-2pbiA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pcq PUTATIVE
DIHYDRODIPICOLINATE
SYNTHASE

(Thermus
thermophilus) 		PF00701
(DHDPS) 		5 LEU A 134
GLY A 188
LEU A 123
HIS A 125
ASP A 153
 None
 0.95A 4blvA-2pcqA:
undetectable		 4blvA-2pcqA:
23.22
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.
2pl5 HOMOSERINE
O-ACETYLTRANSFERASE

(Leptospira
interrogans) 		PF00561
(Abhydrolase_1) 		5 LEU A 281
HIS A  53
GLY A 152
LEU A  55
GLY A  57
 None
 1.04A 4blvA-2pl5A:
undetectable		 4blvA-2pl5A:
23.81
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.
2qfr PURPLE ACID
PHOSPHATASE

(Phaseolus
vulgaris) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		5 LEU A 284
GLY A 134
GLY A 363
LEU A 160
GLY A 131
 None
 1.15A 4blvA-2qfrA:
undetectable		 4blvA-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.
2r3s UNCHARACTERIZED
PROTEIN

(Nostoc
punctiforme) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 HIS A 243
GLY A 297
GLY A 120
LEU A 241
ASP A 298
 EDO  A 341 (-3.7A)
None
None
None
None
 1.08A 4blvA-2r3sA:
10.4		 4blvA-2r3sA:
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.
2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE

(Lactococcus
lactis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 526
GLY A 428
GLY A 405
LEU A 524
ASP A 429
 LEU  A 526 ( 0.5A)
GLY  A 428 (-0.0A)
GLY  A 405 ( 0.0A)
LEU  A 524 ( 0.6A)
ASP  A 429 ( 0.6A)
 1.04A 4blvA-2vbfA:
4.1		 4blvA-2vbfA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wnw ACTIVATED BY
TRANSCRIPTION FACTOR
SSRB

(Salmonella
enterica) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		5 ASP A 241
GLY A 272
HIS A 315
ASP A 273
GLY A 295
 None
None
None
GOL  A1448 (-4.8A)
None
 1.11A 4blvA-2wnwA:
undetectable		 4blvA-2wnwA:
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.
2yzw ADP-RIBOSYLGLYCOHYDR
OLASE

(Thermus
thermophilus) 		PF03747
(ADP_ribosyl_GH) 		5 LEU A 171
GLY A 256
GLY A  25
LEU A 262
GLY A 264
 None
 1.06A 4blvA-2yzwA:
undetectable		 4blvA-2yzwA:
23.69
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.
2z2n VIRGINIAMYCIN B
LYASE

(Staphylococcus
aureus) 		no annotation 5 LEU A  52
TYR A  50
LYS A  25
GLY A  68
GLY A  19
 None
 1.00A 4blvA-2z2nA:
undetectable		 4blvA-2z2nA:
21.49
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.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 LEU A 476
TYR A 472
GLY A 347
LEU A 375
GLY A 434
 None
None
None
None
SO4  A 654 (-3.4A)
 1.08A 4blvA-3af5A:
2.4		 4blvA-3af5A:
17.51
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.
3c5y RIBOSE/GALACTOSE
ISOMERASE

(Novosphingobium
aromaticivorans) 		PF02502
(LacAB_rpiB)
PF12408
(DUF3666) 		5 LEU A  22
GLY A  37
GLY A 187
HIS A  19
GLY A  71
 None
 1.12A 4blvA-3c5yA:
undetectable		 4blvA-3c5yA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cuq VACUOLAR-SORTING
PROTEIN SNF8
VACUOLAR
PROTEIN-SORTING-ASSO
CIATED PROTEIN 36

(Homo sapiens;
Homo sapiens) 		PF04157
(EAP30)
PF04157
(EAP30) 		5 GLY A  94
GLY A  85
LEU A 100
ASP A  95
PRO B 284
 None
 1.14A 4blvA-3cuqA:
undetectable		 4blvA-3cuqA:
23.99
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.
3e7f 6-PHOSPHOGLUCONOLACT
ONASE

(Trypanosoma
brucei) 		PF01182
(Glucosamine_iso) 		5 LEU A  95
LEU A  55
HIS A  56
ASP A  57
GLY A  20
 None
None
ZN  A 301 (-3.2A)
None
None
 0.92A 4blvA-3e7fA:
2.9		 4blvA-3e7fA:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ep1 PGRP-HD -
PEPTIDOGLYCAN
RECOGNITION PROTEIN
HOMOLOGUE

(Alvinella
pompejana) 		PF01510
(Amidase_2) 		5 LEU A 245
ASP A 158
LEU A 205
ASP A 203
PRO A 197
 None
 1.12A 4blvA-3ep1A:
undetectable		 4blvA-3ep1A:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f6m 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF02542
(YgbB) 		5 GLY A 147
LEU A  43
HIS A  44
ASP A   8
GLY A  24
 None
 1.02A 4blvA-3f6mA:
undetectable		 4blvA-3f6mA:
20.07
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.
3g5s METHYLENETETRAHYDROF
OLATE--TRNA-(URACIL-
5-)-METHYLTRANSFERAS
E TRMFO

(Thermus
thermophilus) 		PF01134
(GIDA) 		5 LEU A 375
GLY A 335
GLY A 134
LEU A 352
GLY A 354
 None
FAD  A 444 (-3.3A)
FAD  A 444 (-3.2A)
None
None
 0.85A 4blvA-3g5sA:
undetectable		 4blvA-3g5sA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gip N-ACYL-D-GLUTAMATE
DEACYLASE

(Bordetella
bronchiseptica) 		PF07969
(Amidohydro_3) 		5 LEU A  71
GLY A  67
GLY A 363
ASP A  69
GLY A 145
 None
 1.16A 4blvA-3gipA:
undetectable		 4blvA-3gipA:
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.
3gvh MALATE DEHYDROGENASE

(Brucella
abortus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A 177
GLY A 218
ASP A 178
GLY A 272
PRO A 182
 None
 1.12A 4blvA-3gvhA:
4.3		 4blvA-3gvhA:
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.
3h75 PERIPLASMIC
SUGAR-BINDING DOMAIN
PROTEIN

(Pseudomonas
protegens) 		PF13407
(Peripla_BP_4) 		6 LEU A  81
GLY A 322
LEU A 306
HIS A 310
ASP A 311
GLY A 302
 None
 1.16A 4blvA-3h75A:
2.4		 4blvA-3h75A:
23.73
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.
3h7u ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		5 LEU A 227
HIS A 184
GLY A 246
GLY A 250
GLY A 210
 None
None
None
None
NAP  A 401 (-4.2A)
 1.13A 4blvA-3h7uA:
undetectable		 4blvA-3h7uA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hdl ROYAL PALM TREE
PEROXIDASE

(Roystonea regia) 		PF00141
(peroxidase) 		5 LEU A 245
GLY A 172
GLY A  31
LEU A 244
HIS A 169
 HEM  A 305 (-4.8A)
HEM  A 305 ( 3.2A)
EDO  A 335 ( 3.9A)
None
HEM  A 305 (-3.4A)
 1.15A 4blvA-3hdlA:
undetectable		 4blvA-3hdlA:
20.97
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.
3i6e MUCONATE
CYCLOISOMERASE I

(Ruegeria
pomeroyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  44
GLY A 119
LEU A 114
ASP A 116
GLY A  87
 None
 1.02A 4blvA-3i6eA:
undetectable		 4blvA-3i6eA:
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4) 		5 LEU 3 477
GLY 3 471
GLY 3 690
LEU 3 399
GLY 3 508
 None
 1.16A 4blvA-3i9v3:
3.5		 4blvA-3i9v3:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ihy PHOSPHATIDYLINOSITOL
3-KINASE CATALYTIC
SUBUNIT TYPE 3

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka) 		5 ASP A 830
GLY A 763
ASP A 761
GLY A 740
PRO A 770
 None
 1.16A 4blvA-3ihyA:
undetectable		 4blvA-3ihyA:
19.40
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.
3ix1 N-FORMYL-4-AMINO-5-A
MINOMETHYL-2-METHYLP
YRIMIDINE BINDING
PROTEIN

(Bacillus
halodurans) 		PF09084
(NMT1) 		5 HIS A 117
GLY A 186
GLY A 138
LEU A 115
PRO A 208
 None
NFM  A 401 (-3.6A)
None
None
None
 0.87A 4blvA-3ix1A:
undetectable		 4blvA-3ix1A:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jbz SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom) 		5 LEU A2172
GLY A2238
LEU A2186
GLY A2235
PRO A2141
 None
 1.16A 4blvA-3jbzA:
undetectable		 4blvA-3jbzA:
13.53
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.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 LEU A 327
GLY A 319
LEU A 274
ASP A 323
GLY A 263
 None
 1.09A 4blvA-3k1dA:
undetectable		 4blvA-3k1dA:
17.86
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.
3lps TOPOISOMERASE IV
SUBUNIT B

(Xanthomonas
oryzae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 LEU A 281
GLY A 262
GLY A 241
LEU A 267
ASP A 265
 None
 1.15A 4blvA-3lpsA:
undetectable		 4blvA-3lpsA:
23.22
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.
3o7w LEUCINE CARBOXYL
METHYLTRANSFERASE 1

(Homo sapiens) 		PF04072
(LCM) 		5 LEU A 172
TYR A 203
GLY A 100
LEU A  97
ASP A 122
 SAM  A 801 (-3.7A)
SAM  A 801 (-4.6A)
SAM  A 801 ( 3.7A)
None
SAM  A 801 (-2.7A)
 1.08A 4blvA-3o7wA:
9.8		 4blvA-3o7wA:
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.
3ogr BETA-GALACTOSIDASE

(Trichoderma
reesei) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 TYR A 948
GLY A 945
GLY A1013
LEU A 940
GLY A 863
 None
 1.07A 4blvA-3ogrA:
undetectable		 4blvA-3ogrA:
15.46
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.
3oqp PUTATIVE
ISOCHORISMATASE

(Paraburkholderia
xenovorans) 		PF00857
(Isochorismatase) 		5 LEU A 103
GLY A 188
LEU A 111
ASP A 109
PRO A  49
 None
 1.04A 4blvA-3oqpA:
2.6		 4blvA-3oqpA:
23.92
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.
3rg1 CD180 MOLECULE

(Bos taurus) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		5 GLY A 208
LEU A 132
HIS A 155
ASP A 179
GLY A 136
 None
 0.93A 4blvA-3rg1A:
undetectable		 4blvA-3rg1A:
18.20
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.
3tji MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Enterobacter
sp. 638) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A 110
GLY A 364
GLY A 106
GLY A 348
PRO A 360
 None
 1.15A 4blvA-3tjiA:
undetectable		 4blvA-3tjiA:
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.
3tl2 MALATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A 181
GLY A 217
ASP A 182
GLY A 271
PRO A 186
 None
 1.16A 4blvA-3tl2A:
4.4		 4blvA-3tl2A:
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.
3umg HALOACID
DEHALOGENASE

(Rhodococcus
jostii) 		PF00702
(Hydrolase) 		5 LEU A  86
HIS A 100
LEU A 108
ASP A 106
PRO A  97
 None
 0.89A 4blvA-3umgA:
undetectable		 4blvA-3umgA:
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.
3uoe DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF02615
(Ldh_2) 		5 LEU A  33
ASP A 263
HIS A 116
GLY A  86
GLY A  81
 None
 1.10A 4blvA-3uoeA:
undetectable		 4blvA-3uoeA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vab DIAMINOPIMELATE
DECARBOXYLASE 1

(Brucella
melitensis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ASP A 198
HIS A 234
GLY A 239
LEU A 271
GLY A 196
 None
None
LLP  A  61 ( 3.6A)
None
None
 1.14A 4blvA-3vabA:
undetectable		 4blvA-3vabA:
23.02
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 LEU A  29
ASP A 170
GLY A 297
GLY A 267
GLY A 132
 None
ZN  A 500 (-2.2A)
None
None
None
 1.16A 4blvA-4a69A:
5.6		 4blvA-4a69A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b45 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		5 LEU A 162
GLY A 102
GLY A   9
LEU A 133
GLY A 147
 None
GSP  A1342 ( 4.1A)
GSP  A1342 (-3.5A)
None
None
 1.17A 4blvA-4b45A:
undetectable		 4blvA-4b45A:
22.25
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) 		8 ASP A  40
HIS A  42
GLY A  44
GLY A  99
LEU A 119
HIS A 120
ASP A 123
PRO A 166
 None
None
EDO  A1284 ( 4.7A)
EDO  A1283 ( 3.8A)
None
None
None
None
 0.69A 4blvA-4bluA:
46.6		 4blvA-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) 		9 LYS A  18
ASP A  40
HIS A  42
GLY A  44
GLY A  99
LEU A 119
HIS A 120
ASP A 123
GLY A 144
 TRS  A1281 ( 2.8A)
None
None
EDO  A1284 ( 4.7A)
EDO  A1283 ( 3.8A)
None
None
None
None
 0.42A 4blvA-4bluA:
46.6		 4blvA-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.
4bof ARGININE DEIMINASE

(Streptococcus
pyogenes) 		PF02274
(Amidinotransf) 		5 LEU A  36
GLY A 395
GLY A 398
ASP A  42
PRO A 159
 None
 1.05A 4blvA-4bofA:
undetectable		 4blvA-4bofA:
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.
4bv6 APOPTOSIS-INDUCING
FACTOR 1,
MITOCHONDRIAL

(Homo sapiens) 		PF07992
(Pyr_redox_2)
PF14721
(AIF_C) 		5 GLY A 138
GLY A 261
LEU A 228
GLY A 230
PRO A 169
 FAD  A1449 (-3.1A)
FAD  A1449 (-3.4A)
None
None
None
 1.10A 4blvA-4bv6A:
undetectable		 4blvA-4bv6A:
19.04
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.
4cak INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 LEU A 586
GLY A 370
GLY A 300
ASP A 369
GLY A 495
 None
 0.97A 4blvA-4cakA:
undetectable		 4blvA-4cakA:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4emi TODA

(Pseudomonas
putida) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 GLY A   9
GLY A 108
LEU A  75
GLY A  77
PRO A  40
 FAD  A 501 (-3.1A)
FAD  A 501 (-3.1A)
None
None
None
 1.04A 4blvA-4emiA:
undetectable		 4blvA-4emiA:
21.72
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.
4h6b ALLENE OXIDE CYCLASE

(Physcomitrella
patens) 		PF06351
(Allene_ox_cyc) 		5 HIS A 100
GLY A  96
GLY A  67
ASP A  97
GLY A 120
 PO4  A 203 (-3.7A)
None
None
None
None
 1.15A 4blvA-4h6bA:
undetectable		 4blvA-4h6bA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		5 LEU A 182
ASP A 230
GLY A 234
GLY A 237
LEU A 255
 SAH  A 501 (-4.0A)
SAH  A 501 ( 4.8A)
SAH  A 501 (-3.6A)
None
SAH  A 501 (-4.3A)
 0.82A 4blvA-4ineA:
10.3		 4blvA-4ineA:
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.
4iu4 ARGINASE

(Leishmania
mexicana) 		PF00491
(Arginase) 		5 GLY A  34
GLY A  30
LEU A  43
ASP A  36
GLY A 307
 None
 1.17A 4blvA-4iu4A:
5.1		 4blvA-4iu4A:
22.65
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.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 TYR A 667
ASP A 758
GLY A 694
GLY A 701
PRO A 728
 None
 1.18A 4blvA-4j3bA:
undetectable		 4blvA-4j3bA:
15.52
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 LEU A 178
ASP A 226
GLY A 230
GLY A 233
LEU A 251
 SAH  A 701 ( 4.2A)
SAH  A 701 ( 4.6A)
SAH  A 701 (-3.5A)
None
SAH  A 701 (-4.4A)
 0.79A 4blvA-4kriA:
10.2		 4blvA-4kriA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pel PENICILLIN G ACYLASE
SUBUNIT BETA

(Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase) 		5 GLY B  46
GLY B  36
ASP B 501
GLY B  66
PRO B  49
 None
 1.10A 4blvA-4pelB:
undetectable		 4blvA-4pelB:
19.54
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.
4pj3 INTRON-BINDING
PROTEIN AQUARIUS

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12)
PF16399
(Aquarius_N) 		5 LEU A 862
GLY A 828
GLY A1137
ASP A 831
GLY A1095
 None
ANP  A1501 (-3.6A)
ANP  A1501 ( 3.8A)
ANP  A1501 (-3.4A)
None
 0.94A 4blvA-4pj3A:
2.5		 4blvA-4pj3A:
12.18
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.
4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF10294
(Methyltransf_16) 		5 LEU A 103
GLY A 156
GLY A 179
LEU A 160
GLY A 162
 None
SAH  A 401 ( 3.3A)
SAH  A 401 (-3.3A)
None
None
 0.96A 4blvA-4pwyA:
9.9		 4blvA-4pwyA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wqe THIOSULFATE
DEHYDROGENASE

(Allochromatium
vinosum) 		PF13442
(Cytochrome_CBB3) 		5 LEU A  47
ASP A 167
GLY A 170
HIS A  51
GLY A 185
 HEC  A1001 (-4.2A)
None
None
HEC  A1002 (-4.9A)
IOD  A1004 ( 4.5A)
 1.08A 4blvA-4wqeA:
undetectable		 4blvA-4wqeA:
24.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y5f BACTERIOPHYTOCHROME

(Deinococcus
radiodurans) 		PF01590
(GAF)
PF08446
(PAS_2) 		5 LEU A 220
TYR A 216
GLY A 285
GLY A 184
GLY A 281
 None
LBV  A 401 (-4.8A)
None
None
None
 1.16A 4blvA-4y5fA:
undetectable		 4blvA-4y5fA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aex AMMONIUM TRANSPORTER
MEP2

(Saccharomyces
cerevisiae) 		PF00909
(Ammonium_transp) 		5 LEU A 120
GLY A 112
GLY A  16
LEU A 124
ASP A 122
 None
 1.07A 4blvA-5aexA:
undetectable		 4blvA-5aexA:
19.45
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.
5b5z PTLCIB4 H88A MUTANT

(Phaeodactylum
tricornutum) 		no annotation 5 LEU A 179
ASP A  48
GLY A 127
GLY A 123
GLY A  73
 None
ZN  A 500 ( 4.8A)
None
None
None
 1.14A 4blvA-5b5zA:
2.9		 4blvA-5b5zA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d79 BERBERINE BRIDGE
ENZYME-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 LEU A 341
GLY A 154
GLY A 178
LEU A 352
GLY A 161
 None
None
FAD  A 603 (-3.4A)
None
None
 1.08A 4blvA-5d79A:
undetectable		 4blvA-5d79A:
18.90
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.
5dll AMINOPEPTIDASE N

(Francisella
tularensis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 TYR A 470
ASP A 559
GLY A 497
GLY A 503
PRO A 529
 CL  A 913 (-4.9A)
None
None
None
None
 1.03A 4blvA-5dllA:
undetectable		 4blvA-5dllA:
16.90
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.
5fbb NUCLEASE S1

(Aspergillus
oryzae) 		PF02265
(S1-P1_nuclease) 		5 ASP A  83
GLY A 152
HIS A 135
ASP A 139
GLY A 104
 AMP  A 701 ( 2.6A)
AMP  A 701 (-3.4A)
ZN  A 402 ( 3.2A)
ZN  A 402 (-2.5A)
None
 1.11A 4blvA-5fbbA:
undetectable		 4blvA-5fbbA:
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.
5g6r IMINE REDUCTASE

(Aspergillus
oryzae) 		PF03446
(NAD_binding_2) 		5 LEU A  22
TYR A  26
GLY A   6
LEU A  41
GLY A  14
 None
None
None
None
NDP  A1000 ( 4.9A)
 1.12A 4blvA-5g6rA:
2.1		 4blvA-5g6rA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h1k GEM-ASSOCIATED
PROTEIN 5

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 ASP A 248
HIS A 199
GLY A 174
GLY A 193
ASP A 173
 None
 1.17A 4blvA-5h1kA:
undetectable		 4blvA-5h1kA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i84 PHOSPHATE-BINDING
PROTEIN PSTS

(Xanthomonas
citri) 		PF12849
(PBP_like_2) 		5 ASP A  80
GLY A  61
LEU A 220
GLY A 101
PRO A  38
 None
 1.14A 4blvA-5i84A:
undetectable		 4blvA-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.
5ir6 BD-TYPE QUINOL
OXIDASE SUBUNIT II

(Geobacillus
stearothermophilus) 		PF02322
(Cyt_bd_oxida_II) 		5 LEU B 284
TYR B  80
GLY B 294
ASP B 293
GLY B  72
 None
 0.97A 4blvA-5ir6B:
undetectable		 4blvA-5ir6B:
22.85
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.
5ljo OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		5 LEU A 641
GLY A 638
GLY A 708
ASP A 639
GLY A 597
 None
 1.02A 4blvA-5ljoA:
undetectable		 4blvA-5ljoA:
16.37
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.
5mhf MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Mus musculus) 		no annotation 5 GLY A 336
LEU A 236
HIS A 232
ASP A 238
GLY A 180
 None
 1.16A 4blvA-5mhfA:
undetectable		 4blvA-5mhfA:
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.
5njf METALLOPROTEASE TLDD

(Escherichia
coli) 		PF01523
(PmbA_TldD) 		5 LEU A   3
GLY A 315
GLY A 348
LEU A 175
GLY A 173
 None
 1.04A 4blvA-5njfA:
undetectable		 4blvA-5njfA:
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.
5o2x GLYCOSIDE HYDROLASE
FAMILY 61

(Trichoderma
reesei) 		PF03443
(Glyco_hydro_61) 		5 TYR A  93
GLY A 116
GLY A 118
ASP A 115
PRO A 222
 None
None
None
None
SO4  A 321 (-4.2A)
 1.13A 4blvA-5o2xA:
undetectable		 4blvA-5o2xA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tzb D-AMINOPEPTIDASE

(Burkholderia
sp. LK4) 		PF03576
(Peptidase_S58) 		5 LEU A 208
GLY A 176
GLY A 168
HIS A 172
GLY A 350
 None
 1.14A 4blvA-5tzbA:
undetectable		 4blvA-5tzbA:
19.54
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.
5ve2 ENOYL-COA HYDRATASE

(Pseudoalteromonas
atlantica) 		PF00378
(ECH_1) 		5 LEU A 144
GLY A 105
LEU A 156
GLY A 160
PRO A 136
 LEU  A 144 ( 0.6A)
GLY  A 105 ( 0.0A)
LEU  A 156 ( 0.5A)
GLY  A 160 ( 0.0A)
PRO  A 136 ( 1.1A)
 1.03A 4blvA-5ve2A:
undetectable		 4blvA-5ve2A:
18.39
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.
5veh KYNURENINE
AMINOTRANSFERASE

(Aedes aegypti) 		no annotation 5 TYR A  90
GLY A 265
GLY A 254
LEU A 105
GLY A  78
 None
None
LLP  A 255 ( 2.4A)
None
None
 1.10A 4blvA-5vehA:
3.8		 4blvA-5vehA:
21.33
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.
5vhi 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 2

(Homo sapiens) 		PF00004
(AAA) 		5 LEU f 433
TYR f 432
GLY f 415
GLY f 379
GLY f 424
 None
 1.16A 4blvA-5vhif:
undetectable		 4blvA-5vhif:
16.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w8o HOMOSERINE
O-ACETYLTRANSFERASE

(Mycolicibacterium
hassiacum) 		PF00561
(Abhydrolase_1) 		5 LEU A 289
HIS A  58
GLY A 156
LEU A  60
GLY A  62
 None
 1.15A 4blvA-5w8oA:
undetectable		 4blvA-5w8oA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 LEU A 241
ASP A 288
GLY A 292
GLY A 295
LEU A 313
 SAH  A 703 (-4.0A)
SAH  A 703 ( 4.6A)
SAH  A 703 ( 3.7A)
None
SAH  A 703 (-4.1A)
 0.79A 4blvA-5wp4A:
10.1		 4blvA-5wp4A:
21.17
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.
6d2l HISTONE-ARGININE
METHYLTRANSFERASE
CARM1

(Homo sapiens) 		no annotation 5 TYR A 355
GLY A 290
HIS A 293
ASP A 291
GLY A 260
 None
None
SO4  A 502 ( 4.8A)
None
FTG  A 501 ( 4.3A)
 1.14A 4blvA-6d2lA:
8.1		 4blvA-6d2lA:
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.
6eqn TRYPTOPHAN SYNTHASE
BETA CHAIN 2

(Sulfobacillus) 		no annotation 5 TYR B 422
GLY B 377
LEU B 417
GLY B 108
PRO B 382
 None
 1.11A 4blvA-6eqnB:
2.2		 4blvA-6eqnB:
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.
6fht BACTERIOPHYTOCHROME,
ADENYLATE CYCLASE

(Synechocystis
sp. PCC 6803;
Deinococcus
radiodurans) 		no annotation 5 LEU A 220
TYR A 216
GLY A 285
GLY A 184
GLY A 281
 None
LBV  A 801 (-4.5A)
None
None
None
 1.13A 4blvA-6fhtA:
undetectable		 4blvA-6fhtA:
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.
1a8s CHLOROPEROXIDASE F

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		4 HIS A 253
SER A  94
GLU A  99
ASP A  70
 PPI  A 278 ( 4.0A)
PPI  A 278 ( 2.7A)
None
None
 1.39A 4blvA-1a8sA:
2.1		 4blvA-1a8sA:
22.74
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.
1a9x CARBAMOYL PHOSPHATE
SYNTHETASE (SMALL
CHAIN)

(Escherichia
coli) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain) 		4 HIS B1795
SER B1831
GLU B1818
ASP B1834
 None
 1.36A 4blvA-1a9xB:
2.2		 4blvA-1a9xB:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)

(Lactobacillus
sp. 30A) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		4 HIS A 354
SER A 352
GLU A 314
ASP A 219
 PLP  A 955 (-4.1A)
PLP  A 955 (-2.8A)
None
None
 1.28A 4blvA-1c4kA:
3.8		 4blvA-1c4kA:
18.18
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		4 SER E   3
GLU E 162
ASP E 156
ASP E 171
 None
 1.40A 4blvA-1cziE:
undetectable		 4blvA-1cziE:
21.81
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.
1dxe 2-DEHYDRO-3-DEOXY-GA
LACTARATE ALDOLASE

(Escherichia
coli) 		PF03328
(HpcH_HpaI) 		4 HIS A  50
GLU A 101
ASP A 159
ASP A 179
 None
None
None
MG  A 901 (-3.2A)
 1.28A 4blvA-1dxeA:
undetectable		 4blvA-1dxeA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gpj GLUTAMYL-TRNA
REDUCTASE

(Methanopyrus
kandleri) 		PF00745
(GlutR_dimer)
PF01488
(Shikimate_DH)
PF05201
(GlutR_N) 		4 SER A 393
GLU A 401
ASP A 343
ASP A 333
 None
 1.14A 4blvA-1gpjA:
4.7		 4blvA-1gpjA:
22.76
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.
1i7n SYNAPSIN II

(Rattus
norvegicus) 		PF02078
(Synapsin)
PF02750
(Synapsin_C) 		4 HIS A 275
SER A 392
GLU A 387
ASP A 314
 None
 1.38A 4blvA-1i7nA:
undetectable		 4blvA-1i7nA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l9y FEZ-1 B-LACTAMASE

(Fluoribacter
gormanii) 		PF00753
(Lactamase_B) 		4 HIS A 196
HIS A 263
SER A 262
ASP A 176
 ZN  A   1 ( 3.3A)
ZN  A   2 ( 3.3A)
None
None
 1.35A 4blvA-1l9yA:
undetectable		 4blvA-1l9yA:
23.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lfw PEPV

(Lactobacillus
delbrueckii) 		PF01546
(Peptidase_M20) 		4 HIS A 269
GLU A 179
ASP A 449
ASP A 119
 AEP  A 683 (-4.0A)
None
None
ZN  A1001 (-2.4A)
 1.39A 4blvA-1lfwA:
undetectable		 4blvA-1lfwA:
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.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 HIS A  61
GLU A 104
ASP A 141
ASP A 158
 None
 1.36A 4blvA-1mjfA:
11.6		 4blvA-1mjfA:
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.
1qq0 CARBONIC ANHYDRASE

(Methanosarcina
thermophila) 		PF00132
(Hexapep)
PF14602
(Hexapep_2) 		4 HIS A 193
SER A 192
GLU A 184
ASP A 187
 None
 1.13A 4blvA-1qq0A:
undetectable		 4blvA-1qq0A:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w36 EXODEOXYRIBONUCLEASE
V GAMMA CHAIN

(Escherichia
coli) 		PF04257
(Exonuc_V_gamma) 		4 HIS C 237
HIS C 267
GLU C  33
ASP C  28
 None
 1.15A 4blvA-1w36C:
undetectable		 4blvA-1w36C:
13.83
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.
1z48 PROBABLE
NADH-DEPENDENT
FLAVIN
OXIDOREDUCTASE YQJM

(Bacillus
subtilis) 		PF00724
(Oxidored_FMN) 		4 HIS A 164
SER A 217
GLU A 173
ASP A 125
 FMN  A1500 (-3.9A)
None
None
None
 1.28A 4blvA-1z48A:
undetectable		 4blvA-1z48A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zoi ESTERASE

(Pseudomonas
putida) 		PF00561
(Abhydrolase_1) 		4 HIS A 256
SER A  97
GLU A 102
ASP A  73
 None
 1.40A 4blvA-1zoiA:
2.2		 4blvA-1zoiA:
24.16
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.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 HIS A 740
SER A 630
GLU A 545
ASP A 556
 SO4  A1769 ( 4.1A)
SO4  A1769 ( 3.0A)
None
None
 1.35A 4blvA-2bucA:
2.1		 4blvA-2bucA:
16.09
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.
2ec3 FIBRONECTIN

(Homo sapiens) 		PF00039
(fn1) 		4 HIS A  60
SER A  44
GLU A  31
ASP A  34
 None
 1.38A 4blvA-2ec3A:
undetectable		 4blvA-2ec3A:
10.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ei0 1,2-DIHYDROXYNAPHTHA
LENE DIOXYGENASE

(Pseudomonas sp.
C18) 		PF00903
(Glyoxalase) 		4 HIS A 247
HIS A 215
GLU A 177
ASP A 276
 BP7  A 400 (-3.2A)
FE2  A 399 ( 3.3A)
MG  A 398 (-2.5A)
BP7  A 402 (-2.7A)
 1.03A 4blvA-2ei0A:
undetectable		 4blvA-2ei0A:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f7v AECTYLCITRULLINE
DEACETYLASE

(Xanthomonas
campestris) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 HIS A  51
SER A  57
ASP A 103
ASP A 129
 None
None
CO  A5367 (-2.2A)
None
 1.26A 4blvA-2f7vA:
undetectable		 4blvA-2f7vA:
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.
2gsn PHOSPHODIESTERASE-NU
CLEOTIDE
PYROPHOSPHATASE

(Xanthomonas
citri) 		PF01663
(Phosphodiest) 		4 HIS A 258
HIS A  94
SER A  52
ASP A  62
 ZN  A1000 (-3.2A)
None
None
None
 1.33A 4blvA-2gsnA:
2.7		 4blvA-2gsnA:
23.15
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.
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 HIS X 149
GLU X 385
ASP X 101
ASP X 349
 None
 1.32A 4blvA-2iv2X:
2.1		 4blvA-2iv2X:
17.04
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.
2ixo SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
ACTIVATOR 1

(Saccharomyces
cerevisiae) 		PF03095
(PTPA) 		4 HIS A 304
SER A 138
ASP A 205
ASP A 143
 None
 1.40A 4blvA-2ixoA:
undetectable		 4blvA-2ixoA:
23.94
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) 		5 HIS A  19
SER A 101
GLU A 119
ASP A 144
ASP A 165
 None
 0.70A 4blvA-2oo3A:
38.9		 4blvA-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.
2p0k POLYCOMB PROTEIN
SCMH1

(Homo sapiens) 		PF02820
(MBT) 		4 HIS A  45
HIS A 164
SER A 163
ASP A 106
 None
 1.35A 4blvA-2p0kA:
undetectable		 4blvA-2p0kA:
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.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 HIS A 103
GLU A 147
ASP A 178
ASP A 196
 S4M  A 501 (-3.7A)
S4M  A 501 (-2.7A)
S4M  A 501 (-3.3A)
S4M  A 501 (-2.6A)
 1.37A 4blvA-2pt6A:
11.2		 4blvA-2pt6A:
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.
2r2c 28 KDA OUTER
MEMBRANE PROTEIN
OMP28

(Porphyromonas
gingivalis) 		PF11551
(Omp28) 		4 HIS A 173
SER A 155
GLU A 152
ASP A  95
 None
 1.19A 4blvA-2r2cA:
undetectable		 4blvA-2r2cA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r2d ZN-DEPENDENT
HYDROLASES

(Agrobacterium
fabrum) 		PF00753
(Lactamase_B) 		4 HIS A 113
SER A 110
ASP A 238
ASP A 213
 ZN  A 278 ( 3.2A)
None
None
ZN  A 277 (-2.0A)
 1.32A 4blvA-2r2dA:
undetectable		 4blvA-2r2dA:
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.
2uuu ALKYLDIHYDROXYACETON
EPHOSPHATE SYNTHASE

(Dictyostelium
discoideum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		4 HIS A  12
SER A  -1
GLU A 152
ASP A 108
 None
 1.41A 4blvA-2uuuA:
undetectable		 4blvA-2uuuA:
19.80
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.
2vg8 HYDROQUINONE
GLUCOSYLTRANSFERASE

(Arabidopsis
thaliana) 		PF00201
(UDPGT) 		4 HIS A  19
SER A  14
GLU A  45
ASP A  75
 EDO  A1480 ( 3.8A)
None
None
None
 1.13A 4blvA-2vg8A:
2.5		 4blvA-2vg8A:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w5s PROCESSED GLYCEROL
PHOSPHATE
LIPOTEICHOIC ACID
SYNTHASE

(Staphylococcus
aureus) 		PF00884
(Sulfatase) 		4 HIS A 253
HIS A 476
SER A 256
ASP A 425
 None
MN  A1642 ( 3.4A)
MN  A1642 ( 4.6A)
None
 1.15A 4blvA-2w5sA:
3.2		 4blvA-2w5sA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB

(Streptococcus
pneumoniae) 		no annotation 4 HIS A   5
HIS A 201
GLU A 138
ASP A 141
 MN  A1246 (-3.4A)
MN  A1247 ( 3.3A)
None
None
 1.37A 4blvA-2wjfA:
undetectable		 4blvA-2wjfA:
21.59
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.
2wqp POLYSIALIC ACID
CAPSULE BIOSYNTHESIS
PROTEIN SIAC

(Neisseria
meningitidis) 		PF03102
(NeuB)
PF08666
(SAF) 		4 HIS A 215
SER A 251
ASP A  76
ASP A 247
 MN  A1351 ( 3.3A)
None
EDO  A1356 (-4.4A)
WQP  A1350 (-2.8A)
 1.39A 4blvA-2wqpA:
undetectable		 4blvA-2wqpA:
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.
2x1m METHIONYL-TRNA
SYNTHETASE

(Mycolicibacterium
smegmatis) 		PF09334
(tRNA-synt_1g) 		4 HIS A  52
HIS A 100
ASP A 130
ASP A  50
 None
None
None
MET  A 600 (-4.3A)
 1.29A 4blvA-2x1mA:
undetectable		 4blvA-2x1mA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x7v PROBABLE
ENDONUCLEASE 4

(Thermotoga
maritima) 		PF01261
(AP_endonuc_2) 		4 HIS A 230
HIS A 109
ASP A 188
ASP A 178
 ZN  A1289 (-3.2A)
ZN  A1287 (-3.3A)
None
ZN  A1288 (-3.1A)
 1.30A 4blvA-2x7vA:
undetectable		 4blvA-2x7vA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yb4 AMIDOHYDROLASE

(Chromobacterium
violaceum) 		PF02811
(PHP) 		4 HIS A   9
HIS A  75
GLU A 254
ASP A 248
 None
 1.34A 4blvA-2yb4A:
undetectable		 4blvA-2yb4A:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yeq ALKALINE PHOSPHATASE
D

(Bacillus
subtilis) 		PF09423
(PhoD)
PF16655
(PhoD_N) 		4 HIS A 382
HIS A 211
GLU A 503
ASP A 380
 FE  A1524 (-3.4A)
PO4  A1527 (-4.0A)
None
CA  A1525 ( 3.4A)
 1.26A 4blvA-2yeqA:
undetectable		 4blvA-2yeqA:
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.
2yeq ALKALINE PHOSPHATASE
D

(Bacillus
subtilis) 		PF09423
(PhoD)
PF16655
(PhoD_N) 		4 HIS A 510
HIS A 382
SER A 412
ASP A 151
 PO4  A1527 (-4.1A)
FE  A1524 (-3.4A)
FE  A1524 ( 4.0A)
CA  A1525 (-2.4A)
 1.10A 4blvA-2yeqA:
undetectable		 4blvA-2yeqA:
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.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 HIS A  63
GLU A 107
ASP A 144
ASP A 161
 AG3  A1001 (-4.0A)
None
None
AG3  A1001 (-2.8A)
 1.19A 4blvA-2zsuA:
12.1		 4blvA-2zsuA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dul O-METHYLTRANSFERASE,
PUTATIVE

(Bacillus cereus) 		PF01596
(Methyltransf_3) 		4 HIS A  40
SER A  72
GLU A  90
ASP A 140
 None
 1.19A 4blvA-3dulA:
11.9		 4blvA-3dulA:
25.42
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.
3ez0 UNCHARACTERIZED
PROTEIN WITH
FERRITIN-LIKE FOLD

(Arthrobacter
sp. FB24) 		PF13794
(MiaE_2) 		4 HIS A  59
SER A 111
ASP A  36
ASP A 108
 UNL  A 500 (-3.7A)
UNL  A 500 (-3.5A)
None
None
 1.40A 4blvA-3ez0A:
undetectable		 4blvA-3ez0A:
23.00
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.
3fby CARTILAGE OLIGOMERIC
MATRIX PROTEIN

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		4 SER A 681
GLU A 559
ASP A 310
ASP A 271
 None
None
None
CA  A 801 ( 2.8A)
 1.38A 4blvA-3fbyA:
undetectable		 4blvA-3fbyA:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fm0 PROTEIN CIAO1

(Homo sapiens) 		PF00400
(WD40) 		4 HIS A 155
SER A 199
ASP A 273
ASP A 257
 None
 1.38A 4blvA-3fm0A:
undetectable		 4blvA-3fm0A:
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.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 HIS A 344
SER A  60
ASP A 115
ASP A 142
 RAB  A 602 ( 3.5A)
None
None
None
 1.33A 4blvA-3glqA:
4.8		 4blvA-3glqA:
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.
3gr8 NADPH DEHYDROGENASE

(Geobacillus
kaustophilus) 		PF00724
(Oxidored_FMN) 		4 HIS A 164
SER A 217
GLU A 173
ASP A 125
 FMN  A 341 (-4.0A)
None
None
None
 1.28A 4blvA-3gr8A:
undetectable		 4blvA-3gr8A:
24.71
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.
3gxa OUTER MEMBRANE
LIPOPROTEIN GNA1946

(Neisseria
meningitidis) 		PF03180
(Lipoprotein_9) 		4 HIS A 100
SER A 152
GLU A 110
ASP A 150
 MET  A 296 (-3.6A)
None
None
None
 1.34A 4blvA-3gxaA:
undetectable		 4blvA-3gxaA:
24.56
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.
3hpf MUCONATE
CYCLOISOMERASE

(Oceanobacillus
iheyensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A 246
GLU A 218
ASP A 159
ASP A 322
 MG  A 401 ( 3.3A)
None
None
None
 1.32A 4blvA-3hpfA:
undetectable		 4blvA-3hpfA:
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.
3ibr BACTERIOPHYTOCHROME

(Pseudomonas
aeruginosa) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 HIS A 247
HIS A 277
SER A 275
ASP A 169
 BLA  A 900 (-3.8A)
BLA  A 900 (-4.2A)
BLA  A 900 (-2.9A)
None
 1.40A 4blvA-3ibrA:
undetectable		 4blvA-3ibrA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ihm STYRENE
MONOOXYGENASE A

(Pseudomonas
putida) 		no annotation 4 HIS A  50
HIS A  16
SER A 312
ASP A 384
 None
 1.19A 4blvA-3ihmA:
2.2		 4blvA-3ihmA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jb9 PRE-MRNA-SPLICING
FACTOR SPP42

(Schizosaccharomyces
pombe) 		PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		4 SER A1362
GLU A1510
ASP A1730
ASP A1696
 None
 1.13A 4blvA-3jb9A:
undetectable		 4blvA-3jb9A:
8.63
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.
3kgy BIFUNCTIONAL
DEAMINASE-REDUCTASE
DOMAIN PROTEIN

(Chloroflexus
aurantiacus) 		PF01872
(RibD_C) 		4 HIS A 206
SER A   9
GLU A 168
ASP A 145
 None
NDP  A 301 (-4.5A)
None
None
 1.41A 4blvA-3kgyA:
undetectable		 4blvA-3kgyA:
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.
3kzp PUTATIVE DIGUANYLATE
CYCLASE/PHOSPHODIEST
ERASE

(Listeria
monocytogenes) 		PF00563
(EAL) 		4 HIS A 143
GLU A  23
ASP A  15
ASP A 201
 None
 1.34A 4blvA-3kzpA:
undetectable		 4blvA-3kzpA:
21.75
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.
3lij CALCIUM/CALMODULIN
DEPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 HIS A 118
SER A 170
GLU A 314
ASP A 379
 None
None
None
CA  A   1 (-3.3A)
 1.17A 4blvA-3lijA:
undetectable		 4blvA-3lijA:
22.29
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.
3mpd NUCLEOSIDE
DIPHOSPHATE KINASE

(Encephalitozoon
cuniculi) 		PF00334
(NDK) 		4 HIS A  51
HIS A 115
GLU A 121
ASP A 118
 None
 1.15A 4blvA-3mpdA:
undetectable		 4blvA-3mpdA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT

(Komagataella
pastoris;
Komagataella
pastoris) 		PF00365
(PFK)
PF00365
(PFK) 		4 HIS A 493
SER B 365
ASP A 314
ASP A 221
 SO4  B 943 (-4.2A)
None
SO4  A 991 (-4.7A)
None
 1.32A 4blvA-3opyA:
undetectable		 4blvA-3opyA:
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.
3s2j DIPEPTIDASE

(Streptomyces
coelicolor) 		PF01244
(Peptidase_M19) 		4 HIS A 212
SER A  66
ASP A 333
ASP A  22
 ZN  A 403 ( 3.3A)
ZN  A 402 ( 3.9A)
None
ZN  A 402 ( 2.2A)
 1.32A 4blvA-3s2jA:
undetectable		 4blvA-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.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		4 HIS A 239
HIS A 122
ASP A 304
ASP A 290
 UNX  A 606 ( 3.6A)
UNX  A 607 ( 3.5A)
None
None
 1.13A 4blvA-3t8lA:
undetectable		 4blvA-3t8lA:
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.
3u60 DNA POLYMERASE
ACCESSORY PROTEIN 62

(Escherichia
virus T4) 		PF16790
(Phage_clamp_A) 		4 SER A  19
GLU A  12
ASP A  30
ASP A  21
 None
 1.40A 4blvA-3u60A:
undetectable		 4blvA-3u60A:
22.90
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.
3ux8 EXCINUCLEASE ABC, A
SUBUNIT

(Geobacillus sp.
Y412MC52) 		PF00005
(ABC_tran) 		4 HIS A 886
SER A 639
GLU A 903
ASP A 521
 None
 1.34A 4blvA-3ux8A:
2.8		 4blvA-3ux8A:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v0a NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		4 SER B 890
GLU B 837
ASP B 733
ASP B 892
 None
 1.27A 4blvA-3v0aB:
undetectable		 4blvA-3v0aB:
12.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS A 491
HIS A 606
GLU A 595
ASP A 774
 CUO  A9002 (-3.4A)
CUO  A9002 (-3.3A)
None
None
 1.31A 4blvA-4bedA:
undetectable		 4blvA-4bedA:
11.21
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS A 905
HIS A1019
GLU A1008
ASP A1188
 CUO  A9003 (-3.5A)
CUO  A9003 (-3.4A)
None
None
 1.36A 4blvA-4bedA:
undetectable		 4blvA-4bedA:
11.21
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS B1734
HIS B1851
GLU B1840
ASP B2019
 CUO  B9005 (-3.4A)
CUO  B9005 (-3.2A)
None
None
 1.30A 4blvA-4bedB:
undetectable		 4blvA-4bedB:
10.06
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) 		5 HIS A  19
SER A 100
GLU A 118
ASP A 143
ASP A 164
 None
None
None
None
TRS  A1281 ( 3.0A)
 0.41A 4blvA-4bluA:
46.6		 4blvA-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.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 HIS A 244
SER A 239
GLU A 315
ASP A 230
 None
 0.87A 4blvA-4cw4A:
undetectable		 4blvA-4cw4A:
18.39
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.
4ddw REVERSE GYRASE

(Thermotoga
maritima) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		4 HIS A   9
SER A 617
ASP A 623
ASP A 645
 None
 1.26A 4blvA-4ddwA:
2.5		 4blvA-4ddwA:
13.03
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.
4dvg RHO-LIKE SMALL
GTPASE

(Entamoeba
histolytica) 		PF00071
(Ras) 		4 SER A 111
GLU A 148
ASP A 143
ASP A 108
 None
 1.38A 4blvA-4dvgA:
undetectable		 4blvA-4dvgA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gaa MGC78867 PROTEIN

(Xenopus laevis) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 HIS A  23
SER A 158
GLU A 162
ASP A 180
 None
 1.16A 4blvA-4gaaA:
undetectable		 4blvA-4gaaA:
19.80
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.
4i59 CYCLOHEXYLAMINE
OXIDASE

(Microbacterium
oxydans) 		PF01593
(Amino_oxidase) 		4 SER A 405
GLU A 386
ASP A 391
ASP A 403
 None
 1.33A 4blvA-4i59A:
undetectable		 4blvA-4i59A:
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.
4ig8 2'-5'-OLIGOADENYLATE
SYNTHASE 1

(Homo sapiens) 		PF01909
(NTP_transf_2)
PF10421
(OAS1_C) 		4 SER A  64
GLU A 233
ASP A 300
ASP A  77
 None
DTP  A 403 ( 4.2A)
None
MG  A 402 (-2.6A)
 1.22A 4blvA-4ig8A:
undetectable		 4blvA-4ig8A:
22.99
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.
4keq 4-PYRIDOXOLACTONASE

(Mesorhizobium
japonicum) 		PF00753
(Lactamase_B) 		4 HIS A  96
HIS A 252
SER A 251
ASP A 170
 ZN  A 302 (-3.4A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 4.9A)
None
 1.21A 4blvA-4keqA:
undetectable		 4blvA-4keqA:
23.93
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.
4miv N-SULPHOGLUCOSAMINE
SULPHOHYDROLASE

(Homo sapiens) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 HIS A 368
HIS A 125
SER A  71
ASP A 477
 FGP  A  70 ( 4.4A)
FGP  A  70 ( 3.7A)
FGP  A  70 ( 4.1A)
None
 1.38A 4blvA-4mivA:
2.2		 4blvA-4mivA:
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.
4nur PSDSA

(Pseudomonas sp.
S9) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 HIS A 192
HIS A 367
SER A 146
ASP A 161
 None
ZN  A 701 (-3.4A)
None
None
 1.28A 4blvA-4nurA:
undetectable		 4blvA-4nurA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nv0 7-METHYLGUANOSINE
PHOSPHATE-SPECIFIC
5'-NUCLEOTIDASE

(Drosophila
melanogaster) 		PF05822
(UMPH-1) 		4 SER A 171
GLU A 103
ASP A 270
ASP A  57
 MGF  A 404 (-2.7A)
MG7  A 403 (-2.8A)
None
MG7  A 403 (-3.9A)
 1.08A 4blvA-4nv0A:
2.4		 4blvA-4nv0A:
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.
4r27 GLYCOSIDE HYDROLASE

(Microbacterium
sp. Gsoil167) 		PF00232
(Glyco_hydro_1) 		4 HIS A 106
HIS A  64
GLU A 112
ASP A 162
 None
 1.31A 4blvA-4r27A:
undetectable		 4blvA-4r27A:
24.09
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.
4r70 BACTERIOPHYTOCHROME
(LIGHT-REGULATED
SIGNAL TRANSDUCTION
HISTIDINE KINASE),
PHYB2

(Rhodopseudomonas
palustris) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 HIS A 269
HIS A 299
SER A 297
ASP A 190
 BLA  A 900 (-3.3A)
BLA  A 900 (-4.0A)
BLA  A 900 (-3.2A)
None
 1.25A 4blvA-4r70A:
undetectable		 4blvA-4r70A:
19.74
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.
4u4l BETA-LACTAMASE NDM-1

(Klebsiella
pneumoniae) 		PF00753
(Lactamase_B) 		4 HIS A 120
SER A 249
ASP A  95
ASP A  90
 ZN  A 301 (-3.3A)
ZN  A 302 ( 4.3A)
None
None
 1.27A 4blvA-4u4lA:
undetectable		 4blvA-4u4lA:
19.37
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.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 HIS A 103
GLU A 147
ASP A 178
ASP A 196
 None
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
4ZY  A 501 ( 3.6A)
 1.41A 4blvA-4uoeA:
11.2		 4blvA-4uoeA:
20.38
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.
4uoo LIPOTEICHOIC ACID
SYNTHASE

(Listeria
monocytogenes) 		PF00884
(Sulfatase) 		4 HIS A 261
HIS A 482
SER A 264
ASP A 431
 TPO  A 307 ( 4.5A)
MG  A1645 (-3.2A)
MG  A1645 ( 3.9A)
None
 1.21A 4blvA-4uooA:
2.1		 4blvA-4uooA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4whn APXC

(Actinobacillus
pleuropneumoniae) 		PF02794
(HlyC) 		4 HIS A 152
SER A 157
GLU A  68
ASP A  87
 None
 1.22A 4blvA-4whnA:
undetectable		 4blvA-4whnA:
22.92
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.
4wxo UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF) 		4 HIS A 363
SER A 442
GLU A 403
ASP A 464
 None
 1.31A 4blvA-4wxoA:
undetectable		 4blvA-4wxoA:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yg7 SERINE/THREONINE-PRO
TEIN KINASE HIPA

(Escherichia
coli) 		PF07804
(HipA_C)
PF13657
(Couple_hipA) 		4 HIS D  24
SER D  91
ASP D  73
ASP D  88
 None
 1.32A 4blvA-4yg7D:
undetectable		 4blvA-4yg7D:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ysj CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE

(Eimeria tenella) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 HIS A  85
SER A 137
GLU A 281
ASP A 345
 None
None
None
CA  A 501 (-3.1A)
 0.96A 4blvA-4ysjA:
undetectable		 4blvA-4ysjA:
20.59
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.
4ysl BETA-LACTAMASE
DOMAIN PROTEIN

(Pseudomonas
putida) 		PF00753
(Lactamase_B) 		4 HIS A  79
HIS A  74
ASP A  10
ASP A  36
 None
FE  A 301 (-3.4A)
None
None
 1.40A 4blvA-4yslA:
undetectable		 4blvA-4yslA:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bn7 MALTODEXTRIN
GLUCOSIDASE

(Escherichia
coli) 		PF00128
(Alpha-amylase) 		4 SER A 307
GLU A 343
ASP A 291
ASP A 279
 None
 1.20A 4blvA-5bn7A:
undetectable		 4blvA-5bn7A:
19.42
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.
5bza BETA-N-ACETYLHEXOSAM
INIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3) 		4 HIS A 165
SER A 172
ASP A 280
ASP A 245
 None
None
None
CD  A 501 (-3.0A)
 1.39A 4blvA-5bzaA:
undetectable		 4blvA-5bzaA:
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.
5cfa BONE
SIALOPROTEIN-BINDING
PROTEIN

(Staphylococcus
aureus) 		PF10425
(SdrG_C_C) 		4 HIS A  29
GLU A 174
ASP A 167
ASP A  64
 None
 1.34A 4blvA-5cfaA:
undetectable		 4blvA-5cfaA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cuv ACIDOCALCISOMAL
PYROPHOSPHATASE

(Trypanosoma
cruzi) 		PF00719
(Pyrophosphatase) 		4 HIS A 202
SER A 199
GLU A 229
ASP A 252
 None
 1.28A 4blvA-5cuvA:
undetectable		 4blvA-5cuvA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ejy MYOSIN-I HEAVY CHAIN

(Dictyostelium
discoideum) 		PF00784
(MyTH4) 		4 HIS A  78
SER A 100
GLU A 140
ASP A  88
 None
15P  A 602 ( 4.3A)
None
None
 1.32A 4blvA-5ejyA:
undetectable		 4blvA-5ejyA:
20.12
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.
5hp5 PROTEIN-ARGININE
DEIMINASE TYPE-1

(Homo sapiens) 		PF03068
(PAD)
PF08526
(PAD_N)
PF08527
(PAD_M) 		4 HIS A 535
GLU A 580
ASP A 585
ASP A 539
 None
 1.38A 4blvA-5hp5A:
undetectable		 4blvA-5hp5A:
18.71
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.
5k0w CLASS B
CARBAPENEMASE GOB-18

(Elizabethkingia
meningoseptica) 		PF00753
(Lactamase_B) 		4 HIS A 241
HIS A 175
SER A 202
ASP A 264
 ZN  A 301 (-3.3A)
ZN  A 302 (-3.3A)
None
None
 1.30A 4blvA-5k0wA:
undetectable		 4blvA-5k0wA:
20.68
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.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		4 HIS A 404
HIS A 215
SER A 214
ASP A 234
 ZN  A 511 (-3.1A)
ZN  A 512 ( 3.3A)
None
None
 1.38A 4blvA-5m8tA:
undetectable		 4blvA-5m8tA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqs BETA-L-ARABINOBIOSID
ASE

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2) 		4 HIS A  77
SER A 367
GLU A 397
ASP A 458
 PTR  A 372 ( 4.0A)
None
None
None
 1.39A 4blvA-5mqsA:
undetectable		 4blvA-5mqsA:
13.01
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.
5n0o PEPTIDE
N-METHYLTRANSFERASE

(Omphalotus
olearius) 		no annotation 4 HIS A 100
HIS A 109
SER A 108
ASP A  45
 None
 1.38A 4blvA-5n0oA:
undetectable		 4blvA-5n0oA:
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 HIS A1810
SER A2056
GLU A1814
ASP A1886
 None
 1.36A 4blvA-5nugA:
undetectable		 4blvA-5nugA:
4.91
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.
5nv8 EF-P ARGININE 32
RHAMNOSYL-TRANSFERAS
E

(Pseudomonas
putida) 		PF10093
(DUF2331) 		4 HIS A  32
HIS A 371
ASP A 274
ASP A 364
 None
None
TRH  A 401 (-4.1A)
None
 1.33A 4blvA-5nv8A:
undetectable		 4blvA-5nv8A:
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.
5thm ESTERASE-6

(Drosophila
melanogaster) 		PF00135
(COesterase) 		4 HIS A 187
SER A 214
GLU A 318
ASP A 448
 7BZ  A 601 ( 4.8A)
None
None
None
 1.40A 4blvA-5thmA:
undetectable		 4blvA-5thmA:
19.56
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.
5vjw RHIZOBIALES-LIKE
PHOSPHATASE 2

(Arabidopsis
thaliana) 		no annotation 4 HIS A  15
HIS A 213
ASP A  60
ASP A  82
 ZN  A 402 ( 3.4A)
ZN  A 401 (-3.4A)
None
None
 1.11A 4blvA-5vjwA:
undetectable		 4blvA-5vjwA:
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.
5xyi GUANINE
NUCLEOTIDE-BINDING
PROTEIN BETA
SUBUNIT, PUTATIVE

(Trichomonas
vaginalis) 		no annotation 4 HIS g 255
SER g 215
GLU g  37
ASP g 124
 None
 1.29A 4blvA-5xyig:
undetectable		 4blvA-5xyig:
19.73
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 4 SER A  68
GLU A  85
ASP A 113
ASP A 133
 SAM  A 302 (-2.7A)
SAM  A 302 (-2.7A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.6A)
 0.93A 4blvA-5zw4A:
12.0		 4blvA-5zw4A:
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.
6ax8 METHIONINE-TRNA
LIGASE

(Mycobacterium
tuberculosis) 		no annotation 4 HIS A  51
HIS A  99
ASP A 129
ASP A  49
 None
None
None
ME8  A 801 (-4.1A)
 1.31A 4blvA-6ax8A:
undetectable		 4blvA-6ax8A:
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.
6bog RNA
POLYMERASE-ASSOCIATE
D PROTEIN RAPA

(Escherichia
coli) 		no annotation 4 HIS A 692
GLU A 402
ASP A 381
ASP A 409
 None
 1.20A 4blvA-6bogA:
undetectable		 4blvA-6bogA:
undetectable