SIMILAR PATTERNS OF AMINO ACIDS FOR 1NSI_B_H4BB601

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 PHE A  64
GLU A  72
ARG A 106
ILE A  50
 None
 1.22A 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.
1dxy D-2-HYDROXYISOCAPROA
TE DEHYDROGENASE

(Lactobacillus
casei) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 PHE A  16
GLU A  28
ARG A  75
ILE A   3
 None
 1.43A 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.
1ikt ESTRADIOL 17
BETA-DEHYDROGENASE 4

(Homo sapiens) 		PF02036
(SCP2) 		4 TRP A  36
PHE A  12
GLU A  35
ILE A  72
 None
 1.40A 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.
1js6 DOPA DECARBOXYLASE

(Sus scrofa) 		PF00282
(Pyridoxal_deC) 		4 TRP A 464
GLU A 465
ARG A 397
ILE A 467
 None
 1.19A 1nsiA-1js6A:
0.3
1nsiB-1js6A:
0.6		 1nsiA-1js6A:
21.05
1nsiB-1js6A:
21.05
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.
1kex NEUROPILIN-1

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		4 TRP A  97
PHE A 131
GLU A  95
ARG A 130
 None
 1.43A 1nsiA-1kexA:
undetectable
1nsiB-1kexA:
0.0		 1nsiA-1kexA:
18.21
1nsiB-1kexA:
18.21
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.
1kob TWITCHIN

(Aplysia
californica) 		PF00069
(Pkinase) 		4 TRP A 307
PHE A 284
GLU A 280
ILE A 152
 None
 1.39A 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 TRP A 155
PHE A 156
GLU A 154
ARG A 340
 None
 1.36A 1nsiA-1l5jA:
0.0
1nsiB-1l5jA:
0.0		 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.
1l9w 3-DEHYDROQUINATE
DEHYDRATASE AROD

(Salmonella
enterica) 		PF01487
(DHquinase_I) 		4 TRP A  47
PHE A  52
GLU A  33
ILE A  68
 None
 1.08A 1nsiA-1l9wA:
0.0
1nsiB-1l9wA:
0.0		 1nsiA-1l9wA:
21.33
1nsiB-1l9wA:
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.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 TRP A  23
PHE A  20
GLU A  22
ILE A  27
 None
 1.28A 1nsiA-1nj1A:
0.0
1nsiB-1nj1A:
0.0		 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.
1nsa PROCARBOXYPEPTIDASE
B

(Sus scrofa) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 TRP A  15
GLU A  16
ARG A  35
ILE A  18
 None
 1.04A 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 PHE A 432
GLU A 436
ARG A 291
ILE A 273
 None
None
None
FAD  A 652 (-3.6A)
 1.32A 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.
1w1k VANILLYL-ALCOHOL
OXIDASE

(Penicillium
simplicissimum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		4 TRP A 368
PHE A 383
GLU A 369
ILE A 371
 None
 1.27A 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.
1yi7 BETA-XYLOSIDASE,
FAMILY 43 GLYCOSYL
HYDROLASE

(Clostridium
acetobutylicum) 		PF04616
(Glyco_hydro_43) 		4 GLU A  33
ARG A 288
ILE A  73
TRP A  74
 None
GOL  A3020 (-2.5A)
None
GOL  A3020 (-4.3A)
 1.47A 1nsiA-1yi7A:
undetectable
1nsiB-1yi7A:
undetectable		 1nsiA-1yi7A:
20.81
1nsiB-1yi7A:
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.
1yrz XYLAN
BETA-1,4-XYLOSIDASE

(Bacillus
halodurans) 		PF04616
(Glyco_hydro_43) 		4 GLU A1034
ARG A1280
ILE A1074
TRP A1075
 None
 1.44A 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 TRP A  15
GLU A  16
ARG A  35
ILE A  18
 None
 0.95A 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.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		4 PHE A1650
GLU A1652
ARG A1530
ILE A1567
 None
 1.48A 1nsiA-2b39A:
undetectable
1nsiB-2b39A:
undetectable		 1nsiA-2b39A:
13.65
1nsiB-2b39A:
13.65
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.
2b87 ANTI-ZTAQ AFFIBODY
ZTAQ AFFIBODY

(Staphylococcus
aureus) 		PF02216
(B) 		4 TRP A  14
PHE A  17
GLU A  15
ILE B  13
 None
 1.45A 1nsiA-2b87A:
undetectable
1nsiB-2b87A:
undetectable		 1nsiA-2b87A:
8.73
1nsiB-2b87A:
8.73
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.
2cy7 CYSTEINE PROTEASE
APG4B

(Homo sapiens) 		PF03416
(Peptidase_C54) 		4 PHE A 299
GLU A 297
ARG A  55
ILE A 294
 None
 1.34A 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 PHE A 181
GLU A 331
ARG A 344
ILE A 339
 None
 1.41A 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 TRP A 288
PHE A 236
GLU A 239
ILE A 320
 None
None
MG  A2001 ( 2.9A)
None
 1.49A 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 PHE A 257
GLU A 170
ARG A 256
ILE A 174
 None
 1.25A 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 PHE A 257
GLU A 170
ARG A 256
ILE A 201
 None
 1.39A 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 PHE A 249
GLU A 257
ARG A 187
ILE A 218
 None
 1.21A 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 TRP A 113
PHE A 117
GLU A 112
ILE A  11
 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 TRP A 245
PHE A 240
ARG A 257
ILE A 248
 None
 1.11A 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 PHE A 104
GLU A 133
ARG A 102
ILE A 106
 None
 1.45A 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.
2rrn PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF07549
(Sec_GG) 		4 PHE A 525
GLU A 494
ARG A 523
ILE A 512
 None
 1.49A 1nsiA-2rrnA:
undetectable
1nsiB-2rrnA:
undetectable		 1nsiA-2rrnA:
10.83
1nsiB-2rrnA:
10.83
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.
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo sapiens) 		PF00069
(Pkinase) 		4 TRP A 360
PHE A 337
GLU A 333
ILE A 205
 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 TRP A  40
PHE A 213
GLU A  43
ILE A 179
 None
 1.35A 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 PHE A 436
ARG A 420
ILE A 433
TRP A 337
 None
 1.20A 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.
2ywb GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Thermus
thermophilus) 		PF00117
(GATase)
PF00958
(GMP_synt_C) 		4 PHE A 358
GLU A 323
ARG A  17
ILE A  28
 None
 1.43A 1nsiA-2ywbA:
undetectable
1nsiB-2ywbA:
undetectable		 1nsiA-2ywbA:
21.68
1nsiB-2ywbA:
21.68
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.
3a4t PUTATIVE
METHYLTRANSFERASE
MJ0026

(Methanocaldococcus
jannaschii) 		PF01189
(Methyltr_RsmB-F) 		4 PHE A 267
GLU A 221
ARG A 258
ILE A 253
 None
 1.49A 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.
3c2u XYLOSIDASE/ARABINOSI
DASE

(Selenomonas
ruminantium) 		PF04616
(Glyco_hydro_43)
PF07081
(DUF1349) 		4 GLU A  32
ARG A 290
ILE A  72
TRP A  73
 None
B3P  A 539 (-2.7A)
None
B3P  A 539 (-4.6A)
 1.48A 1nsiA-3c2uA:
undetectable
1nsiB-3c2uA:
undetectable		 1nsiA-3c2uA:
22.59
1nsiB-3c2uA:
22.59
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.
3chl ALPHA-14 GIARDIN

(Giardia
intestinalis) 		PF00191
(Annexin) 		4 PHE A 239
GLU A 275
ARG A 198
ILE A 111
 None
 1.47A 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 TRP A 485
PHE A 489
GLU A 484
ARG A 437
 None
 1.03A 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 TRP A 229
PHE A 224
ARG A 241
ILE A 232
 None
 1.08A 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 TRP A 248
PHE A 243
GLU A 245
ARG A 260
 None
 1.31A 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.
3fqd PROTEIN DIN1

(Schizosaccharomyces
pombe) 		PF08652
(RAI1) 		4 TRP B 322
PHE B   5
GLU B 321
ILE B 323
 None
 1.46A 1nsiA-3fqdB:
undetectable
1nsiB-3fqdB:
undetectable		 1nsiA-3fqdB:
21.96
1nsiB-3fqdB:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g3o VACUOLAR TRANSPORTER
CHAPERONE 2

(Saccharomyces
cerevisiae) 		PF09359
(VTC) 		4 PHE A 353
GLU A 395
ARG A 440
ILE A 391
 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 PHE A 140
GLU A  94
ARG A 110
ILE A  90
 None
 1.47A 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 TRP A 298
PHE A 293
ARG A 310
ILE A 301
 None
None
SRT  A 543 (-3.8A)
None
 1.05A 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 TRP A 117
PHE A 143
ARG A 152
ILE A 174
 None
 1.46A 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 TRP A 103
GLU A 100
ARG A 159
ILE A 211
 None
 1.46A 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 TRP A 464
GLU A 465
ARG A 397
ILE A 467
 None
 1.17A 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 PHE A 103
GLU A  98
ARG A  42
ILE A  46
 None
 1.48A 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 TRP A 190
PHE A 259
GLU A 179
ILE A 269
 None
 1.18A 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 PHE A 208
GLU A 245
ARG A 207
ILE A 156
 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.
4eba MRNA
3'-END-PROCESSING
PROTEIN RNA14

(Kluyveromyces
lactis) 		PF05843
(Suf) 		4 TRP A 170
PHE A 169
GLU A 163
ILE A 161
 None
 1.47A 1nsiA-4ebaA:
undetectable
1nsiB-4ebaA:
undetectable		 1nsiA-4ebaA:
20.18
1nsiB-4ebaA:
20.18
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.
4fg8 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 TRP A 242
PHE A 237
ARG A 254
ILE A 245
 None
 1.11A 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.
4h3e SUPEROXIDE DISMUTASE

(Trypanosoma
cruzi) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TRP A 221
PHE A 128
GLU A 222
ILE A 219
 None
 1.39A 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 TRP A 172
PHE A 188
GLU A 173
ILE A 175
 None
 1.37A 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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 PHE B 342
GLU B 424
ILE B 422
TRP B 355
 None
 1.40A 1nsiA-4l37B:
undetectable
1nsiB-4l37B:
undetectable		 1nsiA-4l37B:
19.91
1nsiB-4l37B:
19.91
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.
4ncn EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5B-LIKE PROTEIN

(Chaetomium
thermophilum) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		4 PHE A 695
GLU A 692
ARG A 637
ILE A 630
 None
 1.44A 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.
4pbx RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE S

(Homo sapiens) 		PF00041
(fn3)
PF07679
(I-set) 		4 PHE A 547
GLU A 549
ARG A 558
ILE A 528
 None
 1.41A 1nsiA-4pbxA:
undetectable
1nsiB-4pbxA:
undetectable		 1nsiA-4pbxA:
21.91
1nsiB-4pbxA:
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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		4 PHE A 141
GLU A 162
ARG A  75
ILE A 101
 None
None
None
SAH  A 301 ( 4.1A)
 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.
4trb PURINE
PHOSPHORIBOSYLTRANSF
ERASE (GPT-1)

(Sulfolobus
solfataricus) 		PF00156
(Pribosyltran) 		4 TRP A 156
GLU A 157
ARG A 206
ILE A 200
 None
 1.24A 1nsiA-4trbA:
undetectable
1nsiB-4trbA:
undetectable		 1nsiA-4trbA:
18.29
1nsiB-4trbA:
18.29
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 PHE A 264
GLU A 266
ARG A 276
ILE A 271
 None
 1.26A 1nsiA-4xj6A:
undetectable
1nsiB-4xj6A:
undetectable		 1nsiA-4xj6A:
22.82
1nsiB-4xj6A:
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.
5b4x REELIN

(Mus musculus) 		PF07974
(EGF_2) 		4 TRP A2471
PHE A2357
ILE A2396
TRP A2459
 None
 1.26A 1nsiA-5b4xA:
undetectable
1nsiB-5b4xA:
undetectable		 1nsiA-5b4xA:
19.75
1nsiB-5b4xA:
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.
5hwt SENSOR HISTIDINE
KINASE TODS

(Pseudomonas
putida) 		PF08448
(PAS_4) 		4 PHE A 128
GLU A  45
ILE A 114
TRP A  84
 None
 1.39A 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 TRP A  15
GLU A  16
ARG A  35
ILE A  18
 None
 1.14A 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 PHE A  85
GLU A  80
ARG A  40
ILE A  77
 None
 1.42A 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.
5lsk CENTROMERE PROTEIN C
KINETOCHORE-ASSOCIAT
ED PROTEIN NSL1
HOMOLOG

(Homo sapiens) 		PF08641
(Mis14)
PF15622
(CENP_C_N) 		4 PHE N 115
GLU N 117
ARG P  16
ILE N 122
 None
 1.24A 1nsiA-5lskN:
undetectable
1nsiB-5lskN:
undetectable		 1nsiA-5lskN:
19.61
1nsiB-5lskN:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m15 SYNTHETIC NANOBODY
L2_D09, (A-MBP#3)

(synthetic
construct) 		no annotation 4 PHE C  37
GLU C  44
ILE C 108
TRP C 110
 None
 1.44A 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 TRP A 587
PHE A 606
ARG A 417
ILE A 546
 None
 1.49A 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 TRP A  73
PHE A 318
GLU A 317
ARG A  84
 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 TRP A 414
PHE A 411
GLU A 413
ARG A 225
 None
 1.06A 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 PHE A 581
GLU A 576
ARG A 249
ILE A 179
 None
 1.15A 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 TRP A 251
PHE A 247
GLU A 227
ILE A 232
 None
 1.12A 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 PHE A1106
GLU A1090
ARG A1115
ILE A1136
 None
 1.26A 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 GLU A 507
ARG A 501
ILE A 535
TRP A 536
 None
 1.24A 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 TRP A 234
PHE A 250
GLU A 235
ILE A 237
 None
 1.39A 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.
5oyd CELLULASE, PUTATIVE,
CEL5D

(Cellvibrio
japonicus) 		no annotation 4 TRP A 234
PHE A 274
GLU A 235
ILE A 237
 None
 1.28A 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 PHE A 285
GLU A 283
ILE A 278
TRP A 281
 None
 1.28A 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 TRP A 281
PHE A 143
GLU A 282
ILE A 284
 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.
5v12 HERCYNYLCYSTEINE
SULFOXIDE LYASE

(Neurospora
crassa) 		no annotation 4 PHE C 204
GLU C 235
ARG C 201
ILE C 233
 None
 1.42A 1nsiA-5v12C:
undetectable
1nsiB-5v12C:
undetectable		 1nsiA-5v12C:
12.90
1nsiB-5v12C:
12.90
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.
5vvo PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 TRP A  73
PHE A 318
GLU A 317
ARG A  84
 None
 1.47A 1nsiA-5vvoA:
undetectable
1nsiB-5vvoA:
undetectable		 1nsiA-5vvoA:
20.35
1nsiB-5vvoA:
20.35
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.
5x3h URACIL-DNA
GLYCOSYLASE

(Nitratifractor
salsuginis) 		no annotation 4 TRP A  27
PHE A  63
GLU A  28
ILE A  30
 None
 1.22A 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.
5xyk PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		no annotation 4 PHE E  73
ARG E  72
ILE E  80
TRP E  65
 None
None
None
UDP  E 403 (-4.0A)
 1.46A 1nsiA-5xykE:
undetectable
1nsiB-5xykE:
undetectable		 1nsiA-5xykE:
11.53
1nsiB-5xykE:
11.53
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.
5y2p -

(-) 		no annotation 4 PHE A 264
GLU A 262
ARG A  30
ILE A 236
 None
 1.14A 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 TRP A  87
PHE A 145
GLU A  85
ILE A   3
 None
 0.78A 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 PHE A 504
GLU A 442
ARG A 500
ILE A 437
 None
None
NAG  A1001 ( 4.0A)
None
 1.35A 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 TRP B 306
GLU B 497
ARG B 292
ILE B 299
 None
 1.25A 1nsiA-5zvtB:
undetectable
1nsiB-5zvtB:
undetectable		 1nsiA-5zvtB:
10.45
1nsiB-5zvtB:
10.45