SIMILAR PATTERNS OF AMINO ACIDS FOR 1NSI_A_H4BA600

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.
1bwy PROTEIN (HEART FATTY
ACID BINDING
PROTEIN)

(Bos taurus) 		PF00061
(Lipocalin) 		4 ARG A 106
ILE A  50
PHE A  64
GLU A  72
 None
 1.20A 1nsiA-1bwyA:
0.0
1nsiB-1bwyA:
0.0		 1nsiA-1bwyA:
16.24
1nsiB-1bwyA:
16.24
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.
1c4p PROTEIN
(STREPTOKINASE)

(Streptococcus
dysgalactiae) 		PF02821
(Staphylokinase) 		4 ARG A 219
ILE A 270
PHE A 241
GLU A 198
 None
 1.48A 1nsiA-1c4pA:
0.0
1nsiB-1c4pA:
0.0		 1nsiA-1c4pA:
15.12
1nsiB-1c4pA:
15.12
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.
1dvk PRP18

(Saccharomyces
cerevisiae) 		PF02840
(Prp18) 		4 ARG A 123
TRP A 242
PHE A 239
GLU A 241
 None
 1.47A 1nsiA-1dvkA:
1.6
1nsiB-1dvkA:
0.6		 1nsiA-1dvkA:
18.52
1nsiB-1dvkA:
18.52
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.
1dxy D-2-HYDROXYISOCAPROA
TE DEHYDROGENASE

(Lactobacillus
casei) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 ARG A  75
ILE A   3
PHE A  16
GLU A  28
 None
 1.41A 1nsiA-1dxyA:
0.0
1nsiB-1dxyA:
0.0		 1nsiA-1dxyA:
21.69
1nsiB-1dxyA:
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.
1ebb PHOSPHATASE

(Geobacillus
stearothermophilus) 		PF00300
(His_Phos_1) 		4 ILE A  97
TRP A  89
PHE A 108
GLU A  90
 None
SO4  A 304 ( 4.8A)
None
None
 1.47A 1nsiA-1ebbA:
0.0
1nsiB-1ebbA:
0.0		 1nsiA-1ebbA:
21.66
1nsiB-1ebbA:
21.66
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.
1gff BACTERIOPHAGE G4
CAPSID PROTEINS GPF,
GPG, GPJ

(Escherichia
virus G4) 		PF02305
(Phage_F) 		4 ARG 1 382
ILE 1 168
TRP 1 169
PHE 1 343
 None
 1.48A 1nsiA-1gff1:
0.0
1nsiB-1gff1:
0.0		 1nsiA-1gff1:
20.48
1nsiB-1gff1:
20.48
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.
1ikt ESTRADIOL 17
BETA-DEHYDROGENASE 4

(Homo sapiens) 		PF02036
(SCP2) 		4 ILE A  72
TRP A  36
PHE A  12
GLU A  35
 None
 1.43A 1nsiA-1iktA:
0.0
1nsiB-1iktA:
0.0		 1nsiA-1iktA:
14.83
1nsiB-1iktA:
14.83
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.
1j0h NEOPULLULANASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		4 ARG A 326
ILE A 358
TRP A 359
GLU A 332
 None
 1.21A 1nsiA-1j0hA:
0.0
1nsiB-1j0hA:
0.0		 1nsiA-1j0hA:
22.09
1nsiB-1j0hA:
22.09
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.
1kob TWITCHIN

(Aplysia
californica) 		PF00069
(Pkinase) 		4 ILE A 152
TRP A 307
PHE A 284
GLU A 280
 None
 1.38A 1nsiA-1kobA:
0.0
1nsiB-1kobA:
0.0		 1nsiA-1kobA:
20.70
1nsiB-1kobA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		4 ARG A 340
TRP A 155
PHE A 156
GLU A 154
 None
 1.34A 1nsiA-1l5jA:
undetectable
1nsiB-1l5jA:
undetectable		 1nsiA-1l5jA:
18.84
1nsiB-1l5jA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 ILE A  27
TRP A  23
PHE A  20
GLU A  22
 None
 1.29A 1nsiA-1nj1A:
undetectable
1nsiB-1nj1A:
undetectable		 1nsiA-1nj1A:
22.44
1nsiB-1nj1A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nl4 PROTEIN
FARNESYLTRANSFERASE
ALPHA SUBUNIT

(Rattus
norvegicus) 		PF01239
(PPTA) 		4 ILE A 267
TRP A 277
PHE A 314
GLU A 274
 None
 1.49A 1nsiA-1nl4A:
undetectable
1nsiB-1nl4A:
undetectable		 1nsiA-1nl4A:
18.72
1nsiB-1nl4A:
18.72
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.
1nsa PROCARBOXYPEPTIDASE
B

(Sus scrofa) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 ARG A  35
ILE A  18
TRP A  15
GLU A  16
 None
 1.01A 1nsiA-1nsaA:
undetectable
1nsiB-1nsaA:
undetectable		 1nsiA-1nsaA:
23.04
1nsiB-1nsaA:
23.04
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.
1o5w AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Rattus
norvegicus) 		PF01593
(Amino_oxidase) 		4 ARG A 291
ILE A 273
PHE A 432
GLU A 436
 None
FAD  A 652 (-3.6A)
None
None
 1.31A 1nsiA-1o5wA:
undetectable
1nsiB-1o5wA:
undetectable		 1nsiA-1o5wA:
21.34
1nsiB-1o5wA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vcn CTP SYNTHETASE

(Thermus
thermophilus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		4 ARG A 137
ILE A 132
PHE A 171
GLU A 166
 None
 1.26A 1nsiA-1vcnA:
undetectable
1nsiB-1vcnA:
undetectable		 1nsiA-1vcnA:
21.91
1nsiB-1vcnA:
21.91
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.
1w1k VANILLYL-ALCOHOL
OXIDASE

(Penicillium
simplicissimum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		4 ILE A 371
TRP A 368
PHE A 383
GLU A 369
 None
 1.26A 1nsiA-1w1kA:
undetectable
1nsiB-1w1kA:
undetectable		 1nsiA-1w1kA:
21.72
1nsiB-1w1kA:
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.
1yrz XYLAN
BETA-1,4-XYLOSIDASE

(Bacillus
halodurans) 		PF04616
(Glyco_hydro_43) 		4 ARG A1280
ILE A1074
TRP A1075
GLU A1034
 None
 1.47A 1nsiA-1yrzA:
undetectable
1nsiB-1yrzA:
undetectable		 1nsiA-1yrzA:
21.34
1nsiB-1yrzA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zli CARBOXYPEPTIDASE B

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 ARG A  35
ILE A  18
TRP A  15
GLU A  16
 None
 0.92A 1nsiA-1zliA:
undetectable
1nsiB-1zliA:
undetectable		 1nsiA-1zliA:
21.57
1nsiB-1zliA:
21.57
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.
2b87 ANTI-ZTAQ AFFIBODY
ZTAQ AFFIBODY

(Staphylococcus
aureus) 		PF02216
(B) 		4 ILE B  13
TRP A  14
PHE A  17
GLU A  15
 None
 1.40A 1nsiA-2b87B:
undetectable
1nsiB-2b87B:
undetectable		 1nsiA-2b87B:
8.25
1nsiB-2b87B:
8.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cy7 CYSTEINE PROTEASE
APG4B

(Homo sapiens) 		PF03416
(Peptidase_C54) 		4 ARG A  55
ILE A 294
PHE A 299
GLU A 297
 None
 1.29A 1nsiA-2cy7A:
undetectable
1nsiB-2cy7A:
undetectable		 1nsiA-2cy7A:
22.50
1nsiB-2cy7A:
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.
2dpy FLAGELLUM-SPECIFIC
ATP SYNTHASE

(Salmonella
enterica) 		PF00006
(ATP-synt_ab) 		4 ARG A 344
ILE A 339
PHE A 181
GLU A 331
 None
 1.36A 1nsiA-2dpyA:
undetectable
1nsiB-2dpyA:
undetectable		 1nsiA-2dpyA:
22.95
1nsiB-2dpyA:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dw6 BLL6730 PROTEIN

(Bradyrhizobium
japonicum) 		PF13378
(MR_MLE_C) 		4 ILE A 320
TRP A 288
PHE A 236
GLU A 239
 None
None
None
MG  A2001 ( 2.9A)
 1.47A 1nsiA-2dw6A:
undetectable
1nsiB-2dw6A:
undetectable		 1nsiA-2dw6A:
23.04
1nsiB-2dw6A:
23.04
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.
2e3z BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF00232
(Glyco_hydro_1) 		4 ARG A 256
ILE A 174
PHE A 257
GLU A 170
 None
 1.23A 1nsiA-2e3zA:
undetectable
1nsiB-2e3zA:
undetectable		 1nsiA-2e3zA:
23.58
1nsiB-2e3zA:
23.58
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.
2e3z BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF00232
(Glyco_hydro_1) 		4 ARG A 256
ILE A 201
PHE A 257
GLU A 170
 None
 1.36A 1nsiA-2e3zA:
undetectable
1nsiB-2e3zA:
undetectable		 1nsiA-2e3zA:
23.58
1nsiB-2e3zA:
23.58
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.
2eyn ALPHA-ACTININ 1

(Homo sapiens) 		PF00307
(CH) 		4 ARG A 187
ILE A 218
PHE A 249
GLU A 257
 None
 1.19A 1nsiA-2eynA:
undetectable
1nsiB-2eynA:
undetectable		 1nsiA-2eynA:
19.49
1nsiB-2eynA:
19.49
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.
2iuk SEED LIPOXYGENASE

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 ILE A  11
TRP A 113
PHE A 117
GLU A 112
 None
 1.38A 1nsiA-2iukA:
undetectable
1nsiB-2iukA:
undetectable		 1nsiA-2iukA:
19.30
1nsiB-2iukA:
19.30
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.
2jc6 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1D

(Homo sapiens) 		PF00069
(Pkinase) 		4 ARG A 257
ILE A 248
TRP A 245
PHE A 240
 None
 1.12A 1nsiA-2jc6A:
undetectable
1nsiB-2jc6A:
undetectable		 1nsiA-2jc6A:
19.73
1nsiB-2jc6A:
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.
2qlz TRANSCRIPTION FACTOR
PF0095

(Pyrococcus
furiosus) 		PF12840
(HTH_20) 		4 ARG A 102
ILE A 106
PHE A 104
GLU A 133
 None
 1.47A 1nsiA-2qlzA:
undetectable
1nsiB-2qlzA:
undetectable		 1nsiA-2qlzA:
17.36
1nsiB-2qlzA:
17.36
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.
2rfm PUTATIVE ANKYRIN
REPEAT PROTEIN
TV1425

(Thermoplasma
volcanium) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		4 ARG A  25
ILE A  17
PHE A  55
GLU A  53
 None
None
None
BU2  A 196 (-3.2A)
 0.94A 1nsiA-2rfmA:
undetectable
1nsiB-2rfmA:
undetectable		 1nsiA-2rfmA:
18.94
1nsiB-2rfmA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo sapiens) 		PF00069
(Pkinase) 		4 ILE A 205
TRP A 360
PHE A 337
GLU A 333
 None
 1.41A 1nsiA-2x4fA:
undetectable
1nsiB-2x4fA:
undetectable		 1nsiA-2x4fA:
23.11
1nsiB-2x4fA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ycd GLUTATHIONE
S-TRANSFERASE

(Agrobacterium
tumefaciens) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		4 ILE A 179
TRP A  40
PHE A 213
GLU A  43
 None
 1.38A 1nsiA-2ycdA:
undetectable
1nsiB-2ycdA:
undetectable		 1nsiA-2ycdA:
19.67
1nsiB-2ycdA:
19.67
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.
2yeq ALKALINE PHOSPHATASE
D

(Bacillus
subtilis) 		PF09423
(PhoD)
PF16655
(PhoD_N) 		4 ARG A 420
ILE A 433
TRP A 337
PHE A 436
 None
 1.26A 1nsiA-2yeqA:
undetectable
1nsiB-2yeqA:
undetectable		 1nsiA-2yeqA:
24.14
1nsiB-2yeqA:
24.14
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.
3a4t PUTATIVE
METHYLTRANSFERASE
MJ0026

(Methanocaldococcus
jannaschii) 		PF01189
(Methyltr_RsmB-F) 		4 ARG A 258
ILE A 253
PHE A 267
GLU A 221
 None
 1.44A 1nsiA-3a4tA:
undetectable
1nsiB-3a4tA:
undetectable		 1nsiA-3a4tA:
19.82
1nsiB-3a4tA:
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.
3chl ALPHA-14 GIARDIN

(Giardia
intestinalis) 		PF00191
(Annexin) 		4 ARG A 198
ILE A 111
PHE A 239
GLU A 275
 None
 1.45A 1nsiA-3chlA:
undetectable
1nsiB-3chlA:
undetectable		 1nsiA-3chlA:
21.17
1nsiB-3chlA:
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 ARG A 437
TRP A 485
PHE A 489
GLU A 484
 None
 1.01A 1nsiA-3ckbA:
undetectable
1nsiB-3ckbA:
undetectable		 1nsiA-3ckbA:
21.74
1nsiB-3ckbA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfa CALCIUM-DEPENDENT
PROTEIN KINASE
CGD3_920

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 ARG A 241
ILE A 232
TRP A 229
PHE A 224
 None
 1.09A 1nsiA-3dfaA:
undetectable
1nsiB-3dfaA:
undetectable		 1nsiA-3dfaA:
21.17
1nsiB-3dfaA:
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.
3f3z CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 ARG A 260
TRP A 248
PHE A 243
GLU A 245
 None
 1.29A 1nsiA-3f3zA:
undetectable
1nsiB-3f3zA:
undetectable		 1nsiA-3f3zA:
20.85
1nsiB-3f3zA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g3o VACUOLAR TRANSPORTER
CHAPERONE 2

(Saccharomyces
cerevisiae) 		PF09359
(VTC) 		4 ARG A 440
ILE A 391
PHE A 353
GLU A 395
 None
 1.19A 1nsiA-3g3oA:
undetectable
1nsiB-3g3oA:
undetectable		 1nsiA-3g3oA:
20.76
1nsiB-3g3oA:
20.76
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.
3ggy INCREASED SODIUM
TOLERANCE PROTEIN 1

(Saccharomyces
cerevisiae) 		PF03398
(Ist1) 		4 ARG A 110
ILE A  90
PHE A 140
GLU A  94
 None
 1.44A 1nsiA-3ggyA:
undetectable
1nsiB-3ggyA:
undetectable		 1nsiA-3ggyA:
17.78
1nsiB-3ggyA:
17.78
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.
3igo CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 ARG A 310
ILE A 301
TRP A 298
PHE A 293
 SRT  A 543 (-3.8A)
None
None
None
 1.08A 1nsiA-3igoA:
undetectable
1nsiB-3igoA:
undetectable		 1nsiA-3igoA:
21.50
1nsiB-3igoA:
21.50
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.
3lim FRAGACEATOXIN C

(Actinia
fragacea) 		PF06369
(Anemone_cytotox) 		4 ARG A 152
ILE A 174
TRP A 117
PHE A 143
 None
 1.47A 1nsiA-3limA:
undetectable
1nsiB-3limA:
undetectable		 1nsiA-3limA:
18.24
1nsiB-3limA:
18.24
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.
3qpl HTH-TYPE
TRANSCRIPTIONAL
REGULATOR ETHR

(Mycobacterium
tuberculosis) 		PF00440
(TetR_N) 		4 ARG A 159
ILE A 211
TRP A 103
GLU A 100
 None
 1.40A 1nsiA-3qplA:
undetectable
1nsiB-3qplA:
1.6		 1nsiA-3qplA:
20.55
1nsiB-3qplA:
20.55
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.
3rbl AROMATIC L-AMINO
ACID DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 ARG A 397
ILE A 467
TRP A 464
GLU A 465
 None
 1.13A 1nsiA-3rblA:
undetectable
1nsiB-3rblA:
undetectable		 1nsiA-3rblA:
21.46
1nsiB-3rblA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zid TUBULIN/FTSZ, GTPASE

(Methanothrix
thermoacetophila) 		PF00091
(Tubulin) 		4 ARG A  42
ILE A  46
PHE A 103
GLU A  98
 None
 1.46A 1nsiA-3zidA:
undetectable
1nsiB-3zidA:
undetectable		 1nsiA-3zidA:
20.74
1nsiB-3zidA:
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.
4be3 ALGINATE LYASE,
FAMILY PL7

(Zobellia
galactanivorans) 		PF08787
(Alginate_lyase2) 		4 ILE A 269
TRP A 190
PHE A 259
GLU A 179
 None
 1.17A 1nsiA-4be3A:
undetectable
1nsiB-4be3A:
undetectable		 1nsiA-4be3A:
21.10
1nsiB-4be3A:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ARG A 207
ILE A 156
PHE A 208
GLU A 245
 None
 1.41A 1nsiA-4c7vA:
undetectable
1nsiB-4c7vA:
undetectable		 1nsiA-4c7vA:
22.69
1nsiB-4c7vA:
22.69
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.
4fg8 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 ARG A 254
ILE A 245
TRP A 242
PHE A 237
 None
 1.13A 1nsiA-4fg8A:
undetectable
1nsiB-4fg8A:
undetectable		 1nsiA-4fg8A:
22.49
1nsiB-4fg8A:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gtr PROTEIN
FARNESYLTRANSFERASE/
GERANYLGERANYLTRANSF
ERASE TYPE-1 SUBUNIT
ALPHA

(Rattus
norvegicus) 		PF01239
(PPTA) 		4 ILE A 267
TRP A 277
PHE A 314
GLU A 274
 None
 1.48A 1nsiA-4gtrA:
undetectable
1nsiB-4gtrA:
undetectable		 1nsiA-4gtrA:
19.12
1nsiB-4gtrA:
19.12
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.
4h3e SUPEROXIDE DISMUTASE

(Trypanosoma
cruzi) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 ILE A 219
TRP A 221
PHE A 128
GLU A 222
 None
 1.40A 1nsiA-4h3eA:
undetectable
1nsiB-4h3eA:
undetectable		 1nsiA-4h3eA:
19.46
1nsiB-4h3eA:
19.46
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.
4im4 ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		4 ILE A 175
TRP A 172
PHE A 188
GLU A 173
 None
 1.31A 1nsiA-4im4A:
undetectable
1nsiB-4im4A:
undetectable		 1nsiA-4im4A:
21.28
1nsiB-4im4A:
21.28
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.
4ncn EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5B-LIKE PROTEIN

(Chaetomium
thermophilum) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		4 ARG A 637
ILE A 630
PHE A 695
GLU A 692
 None
 1.39A 1nsiA-4ncnA:
undetectable
1nsiB-4ncnA:
undetectable		 1nsiA-4ncnA:
20.99
1nsiB-4ncnA:
20.99
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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		4 ARG A  75
ILE A 101
PHE A 141
GLU A 162
 None
SAH  A 301 ( 4.1A)
None
None
 1.38A 1nsiA-4pneA:
undetectable
1nsiB-4pneA:
undetectable		 1nsiA-4pneA:
20.81
1nsiB-4pneA:
20.81
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.
4qbu ZMAA

(Bacillus cereus) 		PF00698
(Acyl_transf_1) 		4 ARG A   9
TRP A 428
PHE A 431
GLU A 429
 None
 1.49A 1nsiA-4qbuA:
undetectable
1nsiB-4qbuA:
undetectable		 1nsiA-4qbuA:
21.12
1nsiB-4qbuA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tmz EIF5B

(Chaetomium
thermophilum) 		no annotation 4 ARG B 637
ILE B 630
PHE B 695
GLU B 692
 None
 1.45A 1nsiA-4tmzB:
undetectable
1nsiB-4tmzB:
undetectable		 1nsiA-4tmzB:
23.93
1nsiB-4tmzB:
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.
4yxt POLYKETIDE
BIOSYNTHESIS
3-HYDROXY-3-METHYLGL
UTARYL-ACP SYNTHASE
PKSG

(Bacillus
subtilis) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		4 ARG A 403
ILE A 394
PHE A 405
GLU A 389
 None
 1.50A 1nsiA-4yxtA:
undetectable
1nsiB-4yxtA:
undetectable		 1nsiA-4yxtA:
22.34
1nsiB-4yxtA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z4l CELLOBIOSE
2-EPIMERASE

(Caldicellulosiruptor
saccharolyticus) 		PF07221
(GlcNAc_2-epim) 		4 ARG A 347
ILE A 340
TRP A 337
GLU A 338
 None
 1.42A 1nsiA-4z4lA:
undetectable
1nsiB-4z4lA:
undetectable		 1nsiA-4z4lA:
22.78
1nsiB-4z4lA:
22.78
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.
5hwt SENSOR HISTIDINE
KINASE TODS

(Pseudomonas
putida) 		PF08448
(PAS_4) 		4 ILE A 114
TRP A  84
PHE A 128
GLU A  45
 None
 1.36A 1nsiA-5hwtA:
undetectable
1nsiB-5hwtA:
undetectable		 1nsiA-5hwtA:
15.97
1nsiB-5hwtA:
15.97
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.
5j1q CARBOXYPEPTIDASE B

(Sus scrofa) 		PF00246
(Peptidase_M14) 		4 ARG A  35
ILE A  18
TRP A  15
GLU A  16
 None
 1.10A 1nsiA-5j1qA:
undetectable
1nsiB-5j1qA:
undetectable		 1nsiA-5j1qA:
20.90
1nsiB-5j1qA:
20.90
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.
5jnu LOW MOLECULAR WEIGHT
PHOSPHOTYROSINE
PROTEIN PHOSPHATASE

(Mus musculus) 		PF01451
(LMWPc) 		4 ARG A  40
ILE A  77
PHE A  85
GLU A  80
 None
 1.45A 1nsiA-5jnuA:
undetectable
1nsiB-5jnuA:
undetectable		 1nsiA-5jnuA:
15.96
1nsiB-5jnuA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ly8 TAIL COMPONENT

(Lactobacillus
phage J-1) 		no annotation 4 ILE A  82
TRP A 233
PHE A  94
GLU A 232
 None
 1.49A 1nsiA-5ly8A:
undetectable
1nsiB-5ly8A:
undetectable		 1nsiA-5ly8A:
19.50
1nsiB-5ly8A:
19.50
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.
5m15 SYNTHETIC NANOBODY
L2_D09, (A-MBP#3)

(synthetic
construct) 		no annotation 4 ILE C 108
TRP C 110
PHE C  37
GLU C  44
 None
 1.41A 1nsiA-5m15C:
undetectable
1nsiB-5m15C:
undetectable		 1nsiA-5m15C:
14.62
1nsiB-5m15C:
14.62
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.
5m6g BETA-GLUCOSIDASE

(Saccharopolyspora
erythraea) 		no annotation 4 ARG A 417
ILE A 546
TRP A 587
PHE A 606
 None
 1.44A 1nsiA-5m6gA:
undetectable
1nsiB-5m6gA:
undetectable		 1nsiA-5m6gA:
23.23
1nsiB-5m6gA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 ARG A  84
TRP A  73
PHE A 318
GLU A 317
 None
 1.46A 1nsiA-5m7rA:
undetectable
1nsiB-5m7rA:
undetectable		 1nsiA-5m7rA:
17.66
1nsiB-5m7rA:
17.66
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.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		4 ARG A 225
TRP A 414
PHE A 411
GLU A 413
 None
 1.04A 1nsiA-5m8tA:
undetectable
1nsiB-5m8tA:
undetectable		 1nsiA-5m8tA:
20.32
1nsiB-5m8tA:
20.32
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 ARG A 249
ILE A 179
PHE A 581
GLU A 576
 None
 1.16A 1nsiA-5no8A:
undetectable
1nsiB-5no8A:
undetectable		 1nsiA-5no8A:
21.85
1nsiB-5no8A:
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 4 ILE A 232
TRP A 251
PHE A 247
GLU A 227
 None
 1.13A 1nsiA-5nqdA:
undetectable
1nsiB-5nqdA:
undetectable		 1nsiA-5nqdA:
10.00
1nsiB-5nqdA:
10.00
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.
5o51 RHO GUANYL
NUCLEOTIDE EXCHANGE
FACTOR (ROM2),
PUTATIVE

(Aspergillus
fumigatus) 		no annotation 4 ARG A1115
ILE A1136
PHE A1106
GLU A1090
 None
 1.27A 1nsiA-5o51A:
undetectable
1nsiB-5o51A:
undetectable		 1nsiA-5o51A:
10.92
1nsiB-5o51A:
10.92
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 4 ARG A 501
ILE A 535
TRP A 536
GLU A 507
 None
 1.19A 1nsiA-5ot1A:
undetectable
1nsiB-5ot1A:
undetectable		 1nsiA-5ot1A:
13.54
1nsiB-5ot1A:
13.54
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.
5oyd CELLULASE, PUTATIVE,
CEL5D

(Cellvibrio
japonicus) 		no annotation 4 ILE A 237
TRP A 234
PHE A 250
GLU A 235
 None
 1.33A 1nsiA-5oydA:
undetectable
1nsiB-5oydA:
undetectable		 1nsiA-5oydA:
13.55
1nsiB-5oydA:
13.55
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.
5u6o POTASSIUM/SODIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 1

(Homo sapiens) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF08412
(Ion_trans_N) 		4 ILE A 278
TRP A 281
PHE A 285
GLU A 283
 None
 1.31A 1nsiA-5u6oA:
undetectable
1nsiB-5u6oA:
undetectable		 1nsiA-5u6oA:
18.98
1nsiB-5u6oA:
18.98
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.
5u6o POTASSIUM/SODIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 1

(Homo sapiens) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF08412
(Ion_trans_N) 		4 ILE A 284
TRP A 281
PHE A 143
GLU A 282
 None
 1.47A 1nsiA-5u6oA:
undetectable
1nsiB-5u6oA:
undetectable		 1nsiA-5u6oA:
18.98
1nsiB-5u6oA:
18.98
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.
5x3h URACIL-DNA
GLYCOSYLASE

(Nitratifractor
salsuginis) 		no annotation 4 ILE A  30
TRP A  27
PHE A  63
GLU A  28
 None
 1.21A 1nsiA-5x3hA:
undetectable
1nsiB-5x3hA:
undetectable		 1nsiA-5x3hA:
22.06
1nsiB-5x3hA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y2p -

(-) 		no annotation 4 ARG A  30
ILE A 236
PHE A 264
GLU A 262
 None
 1.11A 1nsiA-5y2pA:
undetectable
1nsiB-5y2pA:
undetectable		 1nsiA-5y2pA:
undetectable
1nsiB-5y2pA:
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.
5yhh UNCHARACTERIZED
CONSERVED PROTEIN
YIIM

(Geobacillus
stearothermophilus) 		no annotation 4 ILE A   3
TRP A  87
PHE A 145
GLU A  85
 None
 0.76A 1nsiA-5yhhA:
undetectable
1nsiB-5yhhA:
undetectable		 1nsiA-5yhhA:
11.96
1nsiB-5yhhA:
11.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zib -

(-) 		no annotation 4 ARG A 500
ILE A 437
PHE A 504
GLU A 442
 NAG  A1001 ( 4.0A)
None
None
None
 1.31A 1nsiA-5zibA:
undetectable
1nsiB-5zibA:
undetectable		 1nsiA-5zibA:
undetectable
1nsiB-5zibA:
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.
5zvt C-TERMINUS OF OUTER
CAPSID PROTEIN VP5

(Aquareovirus C) 		no annotation 4 ARG B 292
ILE B 299
TRP B 306
GLU B 497
 None
 1.29A 1nsiA-5zvtB:
undetectable
1nsiB-5zvtB:
undetectable		 1nsiA-5zvtB:
10.45
1nsiB-5zvtB:
10.45