SIMILAR PATTERNS OF AMINO ACIDS FOR 1NSI_C_H4BC602_1

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
 1.23A 1nsiC-1bwyA:
0.0
1nsiD-1bwyA:
0.0		 1nsiC-1bwyA:
16.24
1nsiD-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 ARG A  75
ILE A   3
PHE A  16
GLU A  28
 None
 1.44A 1nsiC-1dxyA:
0.0
1nsiD-1dxyA:
0.0		 1nsiC-1dxyA:
21.69
1nsiD-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.
1kob TWITCHIN

(Aplysia
californica) 		PF00069
(Pkinase) 		4 ILE A 152
TRP A 307
PHE A 284
GLU A 280
 None
 1.44A 1nsiC-1kobA:
0.0
1nsiD-1kobA:
0.0		 1nsiC-1kobA:
20.70
1nsiD-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
 1.36A 1nsiC-1l5jA:
0.0
1nsiD-1l5jA:
0.0		 1nsiC-1l5jA:
18.84
1nsiD-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
 1.35A 1nsiC-1nj1A:
0.0
1nsiD-1nj1A:
0.2		 1nsiC-1nj1A:
22.44
1nsiD-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 ARG A  35
ILE A  18
TRP A  15
GLU A  16
 None
 1.01A 1nsiC-1nsaA:
0.5
1nsiD-1nsaA:
0.0		 1nsiC-1nsaA:
23.04
1nsiD-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
 1.30A 1nsiC-1o5wA:
0.0
1nsiD-1o5wA:
0.0		 1nsiC-1o5wA:
21.34
1nsiD-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.
1tzq EQUINATOXIN II

(Actinia equina) 		PF06369
(Anemone_cytotox) 		4 ARG A 152
ILE A 174
TRP A 117
PHE A 143
 None
 1.50A 1nsiC-1tzqA:
0.0
1nsiD-1tzqA:
0.0		 1nsiC-1tzqA:
17.78
1nsiD-1tzqA:
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.
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
 1.28A 1nsiC-1vcnA:
0.2
1nsiD-1vcnA:
0.0		 1nsiC-1vcnA:
21.91
1nsiD-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.
1vgq FORMYL-COENZYME A
TRANSFERASE

(Oxalobacter
formigenes) 		PF02515
(CoA_transf_3) 		4 ARG A 192
ILE A 112
TRP A 109
GLU A 110
 None
 1.21A 1nsiC-1vgqA:
undetectable
1nsiD-1vgqA:
undetectable		 1nsiC-1vgqA:
22.01
1nsiD-1vgqA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zli CARBOXYPEPTIDASE B

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 ARG A  35
ILE A  18
TRP A  15
GLU A  16
 None
 0.92A 1nsiC-1zliA:
undetectable
1nsiD-1zliA:
undetectable		 1nsiC-1zliA:
21.57
1nsiD-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
 1.39A 1nsiC-2b87B:
undetectable
1nsiD-2b87B:
undetectable		 1nsiC-2b87B:
8.25
1nsiD-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
 1.33A 1nsiC-2cy7A:
undetectable
1nsiD-2cy7A:
undetectable		 1nsiC-2cy7A:
22.50
1nsiD-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
 1.37A 1nsiC-2dpyA:
undetectable
1nsiD-2dpyA:
undetectable		 1nsiC-2dpyA:
22.95
1nsiD-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 1nsiC-2dw6A:
undetectable
1nsiD-2dw6A:
undetectable		 1nsiC-2dw6A:
23.04
1nsiD-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
 1.26A 1nsiC-2e3zA:
undetectable
1nsiD-2e3zA:
undetectable		 1nsiC-2e3zA:
23.58
1nsiD-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
 1.24A 1nsiC-2eynA:
undetectable
1nsiD-2eynA:
undetectable		 1nsiC-2eynA:
19.49
1nsiD-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.
2f4o PEPTIDE N-GLYCANASE

(Mus musculus) 		PF01841
(Transglut_core) 		4 ARG A 302
ILE A 195
TRP A 233
PHE A 238
 None
 1.49A 1nsiC-2f4oA:
0.9
1nsiD-2f4oA:
undetectable		 1nsiC-2f4oA:
21.75
1nsiD-2f4oA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fkz BACTERIOFERRITIN

(Azotobacter
vinelandii) 		PF00210
(Ferritin) 		4 ARG A  30
ILE A  49
PHE A  26
GLU A  47
 None
 1.49A 1nsiC-2fkzA:
undetectable
1nsiD-2fkzA:
undetectable		 1nsiC-2fkzA:
17.13
1nsiD-2fkzA:
17.13
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.
2iuk SEED LIPOXYGENASE

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 ILE A  11
TRP A 113
PHE A 117
GLU A 112
 None
 1.35A 1nsiC-2iukA:
undetectable
1nsiD-2iukA:
undetectable		 1nsiC-2iukA:
19.30
1nsiD-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
 1.09A 1nsiC-2jc6A:
undetectable
1nsiD-2jc6A:
undetectable		 1nsiC-2jc6A:
19.73
1nsiD-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.
2php UNCHARACTERIZED
PROTEIN MJ0236

(Methanocaldococcus
jannaschii) 		PF10120
(ThiP_synth) 		4 ARG A 356
ILE A 318
PHE A 354
GLU A 367
 None
 1.21A 1nsiC-2phpA:
undetectable
1nsiD-2phpA:
undetectable		 1nsiC-2phpA:
18.78
1nsiD-2phpA:
18.78
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.
2qlz TRANSCRIPTION FACTOR
PF0095

(Pyrococcus
furiosus) 		PF12840
(HTH_20) 		4 ARG A 102
ILE A 106
PHE A 104
GLU A 133
 None
 1.48A 1nsiC-2qlzA:
undetectable
1nsiD-2qlzA:
undetectable		 1nsiC-2qlzA:
17.36
1nsiD-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)
 0.95A 1nsiC-2rfmA:
undetectable
1nsiD-2rfmA:
undetectable		 1nsiC-2rfmA:
18.94
1nsiD-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
 1.47A 1nsiC-2x4fA:
undetectable
1nsiD-2x4fA:
undetectable		 1nsiC-2x4fA:
23.11
1nsiD-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
 1.46A 1nsiC-2ycdA:
undetectable
1nsiD-2ycdA:
undetectable		 1nsiC-2ycdA:
19.67
1nsiD-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.
3a4t PUTATIVE
METHYLTRANSFERASE
MJ0026

(Methanocaldococcus
jannaschii) 		PF01189
(Methyltr_RsmB-F) 		4 ARG A 258
ILE A 253
PHE A 267
GLU A 221
 None
 1.47A 1nsiC-3a4tA:
undetectable
1nsiD-3a4tA:
undetectable		 1nsiC-3a4tA:
19.82
1nsiD-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.
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
 1.07A 1nsiC-3dfaA:
undetectable
1nsiD-3dfaA:
undetectable		 1nsiC-3dfaA:
21.17
1nsiD-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 1nsiC-3f3zA:
undetectable
1nsiD-3f3zA:
undetectable		 1nsiC-3f3zA:
20.85
1nsiD-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
 1.17A 1nsiC-3g3oA:
undetectable
1nsiD-3g3oA:
undetectable		 1nsiC-3g3oA:
20.76
1nsiD-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
 1.45A 1nsiC-3ggyA:
undetectable
1nsiD-3ggyA:
undetectable		 1nsiC-3ggyA:
17.78
1nsiD-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
 1.04A 1nsiC-3igoA:
undetectable
1nsiD-3igoA:
undetectable		 1nsiC-3igoA:
21.50
1nsiD-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 1nsiC-3limA:
undetectable
1nsiD-3limA:
undetectable		 1nsiC-3limA:
18.24
1nsiD-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
 1.46A 1nsiC-3qplA:
1.9
1nsiD-3qplA:
undetectable		 1nsiC-3qplA:
20.55
1nsiD-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 1nsiC-3rblA:
undetectable
1nsiD-3rblA:
undetectable		 1nsiC-3rblA:
21.46
1nsiD-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.
3si9 DIHYDRODIPICOLINATE
SYNTHASE

(Bartonella
henselae) 		PF00701
(DHDPS) 		4 ARG A 272
ILE A  63
PHE A  17
GLU A  25
 None
 1.27A 1nsiC-3si9A:
undetectable
1nsiD-3si9A:
undetectable		 1nsiC-3si9A:
23.15
1nsiD-3si9A:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4be3 ALGINATE LYASE,
FAMILY PL7

(Zobellia
galactanivorans) 		PF08787
(Alginate_lyase2) 		4 ILE A 269
TRP A 190
PHE A 259
GLU A 179
 None
 1.20A 1nsiC-4be3A:
undetectable
1nsiD-4be3A:
undetectable		 1nsiC-4be3A:
21.10
1nsiD-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
 1.44A 1nsiC-4c7vA:
undetectable
1nsiD-4c7vA:
undetectable		 1nsiC-4c7vA:
22.69
1nsiD-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 ILE A 161
TRP A 170
PHE A 169
GLU A 163
 None
 1.49A 1nsiC-4ebaA:
undetectable
1nsiD-4ebaA:
undetectable		 1nsiC-4ebaA:
20.18
1nsiD-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 ARG A 254
ILE A 245
TRP A 242
PHE A 237
 None
 1.11A 1nsiC-4fg8A:
undetectable
1nsiD-4fg8A:
undetectable		 1nsiC-4fg8A:
22.49
1nsiD-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.
4im4 ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		4 ILE A 175
TRP A 172
PHE A 188
GLU A 173
 None
 1.27A 1nsiC-4im4A:
0.0
1nsiD-4im4A:
undetectable		 1nsiC-4im4A:
21.28
1nsiD-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
 1.44A 1nsiC-4ncnA:
undetectable
1nsiD-4ncnA:
undetectable		 1nsiC-4ncnA:
20.99
1nsiD-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
 1.42A 1nsiC-4pneA:
undetectable
1nsiD-4pneA:
undetectable		 1nsiC-4pneA:
20.81
1nsiD-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 1nsiC-4qbuA:
undetectable
1nsiD-4qbuA:
undetectable		 1nsiC-4qbuA:
21.12
1nsiD-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
 1.48A 1nsiC-4tmzB:
undetectable
1nsiD-4tmzB:
undetectable		 1nsiC-4tmzB:
23.93
1nsiD-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.
4u3g BACTERIOFERRITIN

(Escherichia
coli) 		PF00210
(Ferritin) 		4 ARG A  30
ILE A  49
PHE A  26
GLU A  47
 None
 1.48A 1nsiC-4u3gA:
undetectable
1nsiD-4u3gA:
undetectable		 1nsiC-4u3gA:
18.70
1nsiD-4u3gA:
18.70
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 ARG A 276
ILE A 271
PHE A 264
GLU A 266
 None
 1.28A 1nsiC-4xj6A:
undetectable
1nsiD-4xj6A:
undetectable		 1nsiC-4xj6A:
22.82
1nsiD-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.
4z4l CELLOBIOSE
2-EPIMERASE

(Caldicellulosiruptor
saccharolyticus) 		PF07221
(GlcNAc_2-epim) 		4 ARG A 347
ILE A 340
TRP A 337
GLU A 338
 None
 1.45A 1nsiC-4z4lA:
undetectable
1nsiD-4z4lA:
undetectable		 1nsiC-4z4lA:
22.78
1nsiD-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.
5b4x REELIN

(Mus musculus) 		PF07974
(EGF_2) 		4 ILE A2396
TRP A2459
TRP A2471
PHE A2357
 None
 1.30A 1nsiC-5b4xA:
undetectable
1nsiD-5b4xA:
undetectable		 1nsiC-5b4xA:
19.75
1nsiD-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.
5huo NICOTINATE-NUCLEOTID
E DIPHOSPHORYLASE
(CARBOXYLATING)

(Streptococcus
pyogenes) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		4 ARG A 256
ILE A 262
PHE A 257
GLU A 244
 None
 1.45A 1nsiC-5huoA:
undetectable
1nsiD-5huoA:
undetectable		 1nsiC-5huoA:
21.38
1nsiD-5huoA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hwt SENSOR HISTIDINE
KINASE TODS

(Pseudomonas
putida) 		PF08448
(PAS_4) 		4 ILE A 114
TRP A  84
PHE A 128
GLU A  45
 None
 1.35A 1nsiC-5hwtA:
undetectable
1nsiD-5hwtA:
undetectable		 1nsiC-5hwtA:
15.97
1nsiD-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 1nsiC-5j1qA:
undetectable
1nsiD-5j1qA:
undetectable		 1nsiC-5j1qA:
20.90
1nsiD-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
 1.46A 1nsiC-5jnuA:
undetectable
1nsiD-5jnuA:
undetectable		 1nsiC-5jnuA:
15.96
1nsiD-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.
5kk5 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Acidaminococcus
sp. BV3L6) 		no annotation 4 ARG A1194
ILE A1191
PHE A1193
GLU A1188
 None
 1.43A 1nsiC-5kk5A:
undetectable
1nsiD-5kk5A:
undetectable		 1nsiC-5kk5A:
16.37
1nsiD-5kk5A:
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.
5m6g BETA-GLUCOSIDASE

(Saccharopolyspora
erythraea) 		no annotation 4 ARG A 417
ILE A 546
TRP A 587
PHE A 606
 None
 1.47A 1nsiC-5m6gA:
undetectable
1nsiD-5m6gA:
undetectable		 1nsiC-5m6gA:
23.23
1nsiD-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 1nsiC-5m7rA:
undetectable
1nsiD-5m7rA:
undetectable		 1nsiC-5m7rA:
17.66
1nsiD-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
 1.07A 1nsiC-5m8tA:
0.0
1nsiD-5m8tA:
undetectable		 1nsiC-5m8tA:
20.32
1nsiD-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
 1.17A 1nsiC-5no8A:
undetectable
1nsiD-5no8A:
undetectable		 1nsiC-5no8A:
21.85
1nsiD-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
 1.15A 1nsiC-5nqdA:
undetectable
1nsiD-5nqdA:
undetectable		 1nsiC-5nqdA:
10.00
1nsiD-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.
5oyd CELLULASE, PUTATIVE,
CEL5D

(Cellvibrio
japonicus) 		no annotation 4 ILE A 237
TRP A 234
PHE A 250
GLU A 235
 None
 1.28A 1nsiC-5oydA:
0.2
1nsiD-5oydA:
undetectable		 1nsiC-5oydA:
13.55
1nsiD-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 ILE A 237
TRP A 234
PHE A 274
GLU A 235
 None
 1.30A 1nsiC-5oydA:
0.2
1nsiD-5oydA:
undetectable		 1nsiC-5oydA:
13.55
1nsiD-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
 1.32A 1nsiC-5u6oA:
undetectable
1nsiD-5u6oA:
undetectable		 1nsiC-5u6oA:
18.98
1nsiD-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
 1.42A 1nsiC-5u6oA:
undetectable
1nsiD-5u6oA:
undetectable		 1nsiC-5u6oA:
18.98
1nsiD-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.
5vvo PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 ARG A  84
TRP A  73
PHE A 318
GLU A 317
 None
 1.48A 1nsiC-5vvoA:
undetectable
1nsiD-5vvoA:
undetectable		 1nsiC-5vvoA:
20.35
1nsiD-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 ILE A  30
TRP A  27
PHE A  63
GLU A  28
 None
 1.16A 1nsiC-5x3hA:
undetectable
1nsiD-5x3hA:
undetectable		 1nsiC-5x3hA:
22.06
1nsiD-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 ARG E  72
ILE E  80
TRP E  65
PHE E  73
 None
None
UDP  E 403 (-4.0A)
None
 1.44A 1nsiC-5xykE:
undetectable
1nsiD-5xykE:
undetectable		 1nsiC-5xykE:
11.53
1nsiD-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 ARG A  30
ILE A 236
PHE A 264
GLU A 262
 None
 1.10A 1nsiC-5y2pA:
undetectable
1nsiD-5y2pA:
undetectable		 1nsiC-5y2pA:
undetectable
1nsiD-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
 0.83A 1nsiC-5yhhA:
undetectable
1nsiD-5yhhA:
undetectable		 1nsiC-5yhhA:
11.96
1nsiD-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
 1.38A 1nsiC-5zibA:
undetectable
1nsiD-5zibA:
undetectable		 1nsiC-5zibA:
undetectable
1nsiD-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
 1.25A 1nsiC-5zvtB:
undetectable
1nsiD-5zvtB:
undetectable		 1nsiC-5zvtB:
10.45
1nsiD-5zvtB:
10.45