SIMILAR PATTERNS OF AMINO ACIDS FOR 4BLV_A_SAMA1281_0

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