SIMILAR PATTERNS OF AMINO ACIDS FOR 6NMP_C_CHDC303_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cpy SERINE
CARBOXYPEPTIDASE

(Saccharomyces
cerevisiae) 		PF00450
(Peptidase_S10) 		4 ASP A 180
THR A 179
TYR A 316
HIS A 397
 None
 1.36A 6nmpA-1cpyA:
0.0
6nmpC-1cpyA:
0.0		 6nmpA-1cpyA:
20.45
6nmpC-1cpyA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j1i META CLEAVAGE
COMPOUND HYDROLASE

(Janthinobacterium) 		PF12697
(Abhydrolase_6) 		4 ASP A  72
THR A  28
TYR A  30
HIS A  96
 None
 1.49A 6nmpA-1j1iA:
0.0
6nmpC-1j1iA:
0.0		 6nmpA-1j1iA:
20.04
6nmpC-1j1iA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1js4 ENDO/EXOCELLULASE E4

(Thermobifida
fusca) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		4 HIS A 108
ASP A 190
TYR A 192
HIS A 181
 None
 1.45A 6nmpA-1js4A:
2.2
6nmpC-1js4A:
1.6		 6nmpA-1js4A:
22.63
6nmpC-1js4A:
17.74
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.
1js4 ENDO/EXOCELLULASE E4

(Thermobifida
fusca) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		4 HIS A 377
THR A 427
TYR A 429
HIS A  59
 None
 1.39A 6nmpA-1js4A:
2.2
6nmpC-1js4A:
1.6		 6nmpA-1js4A:
22.63
6nmpC-1js4A:
17.74
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.
1lur ALDOSE 1-EPIMERASE

(Caenorhabditis
elegans) 		PF01263
(Aldose_epim) 		4 HIS A1163
ASP A1276
TYR A1285
HIS A1092
 None
 0.97A 6nmpA-1lurA:
undetectable
6nmpC-1lurA:
undetectable		 6nmpA-1lurA:
21.01
6nmpC-1lurA:
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.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.22A 6nmpA-1nj1A:
0.0
6nmpC-1nj1A:
undetectable		 6nmpA-1nj1A:
20.07
6nmpC-1nj1A:
18.34
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.
1nj8 PROLINE-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2) 		4 HIS A 264
ASP A 206
THR A 207
TYR A 185
 None
 1.39A 6nmpA-1nj8A:
0.0
6nmpC-1nj8A:
0.0		 6nmpA-1nj8A:
20.61
6nmpC-1nj8A:
17.96
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.
1nw1 CHOLINE KINASE (49.2
KD)

(Caenorhabditis
elegans) 		PF01633
(Choline_kinase) 		4 HIS A 384
ASP A 324
TYR A 333
HIS A 418
 None
 1.29A 6nmpA-1nw1A:
0.0
6nmpC-1nw1A:
1.6		 6nmpA-1nw1A:
21.48
6nmpC-1nw1A:
21.32
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.
1r57 CONSERVED
HYPOTHETICAL PROTEIN

(Staphylococcus
aureus) 		PF14542
(Acetyltransf_CG) 		4 HIS A 100
ASP A  90
TYR A  92
HIS A 102
 None
 1.48A 6nmpA-1r57A:
undetectable
6nmpC-1r57A:
undetectable		 6nmpA-1r57A:
10.87
6nmpC-1r57A:
16.05
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.
1snz ALDOSE 1-EPIMERASE

(Homo sapiens) 		PF01263
(Aldose_epim) 		4 HIS A 176
ASP A 287
TYR A 298
HIS A 107
 None
 1.22A 6nmpA-1snzA:
undetectable
6nmpC-1snzA:
undetectable		 6nmpA-1snzA:
19.69
6nmpC-1snzA:
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.
1vkn N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Thermotoga
maritima) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 HIS A 285
ASP A 327
THR A 329
HIS A 267
 None
 1.01A 6nmpA-1vknA:
0.0
6nmpC-1vknA:
0.0		 6nmpA-1vknA:
21.35
6nmpC-1vknA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xfd DIPEPTIDYL
AMINOPEPTIDASE-LIKE
PROTEIN 6

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ASP A 712
TYR A 716
TRP A 429
HIS A 431
 None
 1.05A 6nmpA-1xfdA:
undetectable
6nmpC-1xfdA:
0.0		 6nmpA-1xfdA:
19.95
6nmpC-1xfdA:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yiq QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		4 HIS A 389
THR A 481
TYR A 404
HIS A 408
 None
 1.37A 6nmpA-1yiqA:
0.0
6nmpC-1yiqA:
0.0		 6nmpA-1yiqA:
21.21
6nmpC-1yiqA:
18.12
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.
1ysj PROTEIN YXEP

(Bacillus
subtilis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 HIS A 158
ASP A 357
THR A 343
HIS A 100
 NI  A 381 (-3.4A)
None
None
NI  A 381 (-3.2A)
 1.28A 6nmpA-1ysjA:
undetectable
6nmpC-1ysjA:
0.2		 6nmpA-1ysjA:
19.86
6nmpC-1ysjA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zzh CYTOCHROME C
PEROXIDASE

(Rhodobacter
capsulatus) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		4 HIS A 264
ASP A 243
THR A 241
TRP A  97
 ZN  A 402 ( 3.6A)
None
None
None
 1.13A 6nmpA-1zzhA:
undetectable
6nmpC-1zzhA:
undetectable		 6nmpA-1zzhA:
20.08
6nmpC-1zzhA:
21.13
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.
2b61 HOMOSERINE
O-ACETYLTRANSFERASE

(Haemophilus
influenzae) 		PF00561
(Abhydrolase_1) 		4 ASP A  78
THR A  77
TYR A  80
TRP A  65
 None
 1.19A 6nmpA-2b61A:
undetectable
6nmpC-2b61A:
1.6		 6nmpA-2b61A:
21.56
6nmpC-2b61A:
22.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		4 HIS A 233
ASP A 300
THR A 301
TYR A 304
 None
 0.11A 6nmpA-2eijA:
63.8
6nmpC-2eijA:
3.0		 6nmpA-2eijA:
100.00
6nmpC-2eijA:
21.00
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.
2f4o PEPTIDE N-GLYCANASE

(Mus musculus) 		PF01841
(Transglut_core) 		4 ASP A 332
THR A 331
TYR A 330
TRP A 386
 None
 1.36A 6nmpA-2f4oA:
undetectable
6nmpC-2f4oA:
undetectable		 6nmpA-2f4oA:
16.31
6nmpC-2f4oA:
16.83
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.
2gs4 PROTEIN YCIF

(Escherichia
coli) 		PF05974
(DUF892) 		4 ASP A  16
THR A  17
TYR A  18
HIS A  47
 None
 1.17A 6nmpA-2gs4A:
2.1
6nmpC-2gs4A:
4.0		 6nmpA-2gs4A:
14.17
6nmpC-2gs4A:
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.
2hyp HYPOTHETICAL PROTEIN
RV0805

(Mycobacterium
tuberculosis) 		PF00149
(Metallophos) 		4 HIS A 261
ASP A 257
THR A 258
TYR A 255
 None
BR  A 302 (-4.7A)
BR  A 302 ( 4.9A)
None
 1.38A 6nmpA-2hypA:
undetectable
6nmpC-2hypA:
undetectable		 6nmpA-2hypA:
20.49
6nmpC-2hypA:
21.29
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.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 HIS A 243
ASP A 181
TYR A 182
HIS A 272
 C2O  A 340 (-3.3A)
None
None
C2O  A 340 (-3.1A)
 1.48A 6nmpA-2p3xA:
undetectable
6nmpC-2p3xA:
undetectable		 6nmpA-2p3xA:
19.17
6nmpC-2p3xA:
19.65
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.
2q6d INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE

(Avian
coronavirus) 		PF05409
(Peptidase_C30) 		4 HIS A  41
ASP A 174
THR A 173
TYR A 159
 None
 1.31A 6nmpA-2q6dA:
undetectable
6nmpC-2q6dA:
undetectable		 6nmpA-2q6dA:
21.14
6nmpC-2q6dA:
21.00
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.
2vpw THIOSULFATE
REDUCTASE

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 HIS A 292
ASP A 257
THR A 258
HIS A 602
 None
MGD  A1766 (-2.8A)
None
None
 1.34A 6nmpA-2vpwA:
undetectable
6nmpC-2vpwA:
undetectable		 6nmpA-2vpwA:
19.97
6nmpC-2vpwA:
13.66
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.
2vqr PUTATIVE SULFATASE

(Rhizobium
leguminosarum) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 HIS A 411
ASP A 482
TYR A 447
HIS A 494
 None
 1.28A 6nmpA-2vqrA:
undetectable
6nmpC-2vqrA:
undetectable		 6nmpA-2vqrA:
20.48
6nmpC-2vqrA:
18.82
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.
2vyc BIODEGRADATIVE
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		4 HIS A 382
ASP A 362
TYR A 360
HIS A 398
 None
 1.38A 6nmpA-2vycA:
undetectable
6nmpC-2vycA:
undetectable		 6nmpA-2vycA:
21.37
6nmpC-2vycA:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w8s PHOSPHONATE
MONOESTER HYDROLASE

(Paraburkholderia
caryophylli) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 HIS A 411
ASP A 482
TYR A 447
HIS A 494
 None
None
None
SO4  A1517 (-4.1A)
 1.27A 6nmpA-2w8sA:
undetectable
6nmpC-2w8sA:
undetectable		 6nmpA-2w8sA:
19.33
6nmpC-2w8sA:
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		4 HIS A 271
ASP A 153
TRP A  93
HIS A 185
 None
 1.38A 6nmpA-3b1bA:
undetectable
6nmpC-3b1bA:
undetectable		 6nmpA-3b1bA:
22.98
6nmpC-3b1bA:
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.
3d23 3C-LIKE PROTEINASE

(Human
coronavirus
HKU1) 		no annotation 4 HIS B  41
ASP B 176
THR B 175
TYR B 161
 None
 1.27A 6nmpA-3d23B:
undetectable
6nmpC-3d23B:
undetectable		 6nmpA-3d23B:
20.69
6nmpC-3d23B:
19.93
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.
3d62 3C-LIKE PROTEINASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF05409
(Peptidase_C30) 		4 HIS A  41
ASP A 176
THR A 175
TYR A 161
 959  A 350 (-3.9A)
None
None
None
 1.42A 6nmpA-3d62A:
undetectable
6nmpC-3d62A:
undetectable		 6nmpA-3d62A:
20.46
6nmpC-3d62A:
21.54
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.
3ec7 PUTATIVE
DEHYDROGENASE

(Salmonella
enterica) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.06A 6nmpA-3ec7A:
undetectable
6nmpC-3ec7A:
undetectable		 6nmpA-3ec7A:
20.73
6nmpC-3ec7A:
19.29
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.
3ecn HIGH AFFINITY
CAMP-SPECIFIC AND
IBMX-INSENSITIVE
3',5'-CYCLIC
PHOSPHODIESTERASE 8A

(Homo sapiens) 		PF00233
(PDEase_I) 		4 ASP A 621
THR A 622
TYR A 619
HIS A 676
 None
 1.38A 6nmpA-3ecnA:
0.7
6nmpC-3ecnA:
undetectable		 6nmpA-3ecnA:
18.32
6nmpC-3ecnA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hoa THERMOSTABLE
CARBOXYPEPTIDASE 1

(Thermus
thermophilus) 		PF02074
(Peptidase_M32) 		4 HIS A 280
THR A 429
TYR A 172
HIS A 276
 None
 1.43A 6nmpA-3hoaA:
undetectable
6nmpC-3hoaA:
2.7		 6nmpA-3hoaA:
22.80
6nmpC-3hoaA:
20.62
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.
3ib7 ICC PROTEIN

(Mycobacterium
tuberculosis) 		PF00149
(Metallophos) 		4 HIS A 261
ASP A 257
THR A 258
TYR A 255
 None
 1.49A 6nmpA-3ib7A:
undetectable
6nmpC-3ib7A:
undetectable		 6nmpA-3ib7A:
23.25
6nmpC-3ib7A:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ixw HEMOCYANIN AA6 CHAIN

(Androctonus
australis) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 HIS A 321
ASP A 299
TRP A 360
HIS A 361
 None
 1.49A 6nmpA-3ixwA:
0.0
6nmpC-3ixwA:
undetectable		 6nmpA-3ixwA:
20.16
6nmpC-3ixwA:
16.67
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.
3izq ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF08938
(HBS1_N) 		4 ASP 1 366
THR 1 365
TYR 1 364
HIS 1 243
 None
 1.39A 6nmpA-3izq1:
undetectable
6nmpC-3izq1:
undetectable		 6nmpA-3izq1:
20.06
6nmpC-3izq1:
15.65
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.
3j97 ALPHA-SOLUBLE NSF
ATTACHMENT PROTEIN

(Rattus
norvegicus) 		no annotation 4 HIS H 124
ASP H 113
THR H 112
HIS H 144
 None
 1.21A 6nmpA-3j97H:
2.8
6nmpC-3j97H:
4.8		 6nmpA-3j97H:
19.26
6nmpC-3j97H:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mi6 ALPHA-GALACTOSIDASE

(Lactobacillus
brevis) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 ASP A 642
THR A 652
TYR A 669
HIS A 205
 None
 1.25A 6nmpA-3mi6A:
undetectable
6nmpC-3mi6A:
undetectable		 6nmpA-3mi6A:
21.28
6nmpC-3mi6A:
15.95
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.
3mn8 LP15968P

(Drosophila
melanogaster) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		4 ASP A 257
THR A 254
TYR A 255
HIS A 336
 None
 1.42A 6nmpA-3mn8A:
undetectable
6nmpC-3mn8A:
undetectable		 6nmpA-3mn8A:
23.47
6nmpC-3mn8A:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mtw L-ARGININE
CARBOXYPEPTIDASE
CC2672

(Caulobacter
vibrioides) 		PF01979
(Amidohydro_1) 		4 HIS A  90
ASP A 268
THR A 269
HIS A  92
 ZN  A   1 ( 3.2A)
None
None
ZN  A   1 ( 3.2A)
 1.15A 6nmpA-3mtwA:
undetectable
6nmpC-3mtwA:
undetectable		 6nmpA-3mtwA:
21.42
6nmpC-3mtwA:
19.90
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.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 ASP A 115
THR A 114
TYR A 113
HIS A 337
 None
None
None
ADN  A 500 ( 3.6A)
 1.21A 6nmpA-3n58A:
undetectable
6nmpC-3n58A:
undetectable		 6nmpA-3n58A:
21.15
6nmpC-3n58A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sp1 CYSTEINYL-TRNA
SYNTHETASE

(Borreliella
burgdorferi) 		PF01406
(tRNA-synt_1e) 		4 HIS A 242
ASP A  68
THR A  67
HIS A 236
 AMP  A 482 (-4.2A)
None
None
None
 1.49A 6nmpA-3sp1A:
undetectable
6nmpC-3sp1A:
undetectable		 6nmpA-3sp1A:
20.43
6nmpC-3sp1A:
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.
3sp1 CYSTEINYL-TRNA
SYNTHETASE

(Borreliella
burgdorferi) 		PF01406
(tRNA-synt_1e) 		4 HIS A 246
ASP A  68
THR A  67
HIS A 236
 ZN  A 481 (-3.3A)
None
None
None
 1.41A 6nmpA-3sp1A:
undetectable
6nmpC-3sp1A:
undetectable		 6nmpA-3sp1A:
20.43
6nmpC-3sp1A:
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.
4arr TOLL RECEPTOR,
VARIABLE LYMPHOCYTE
RECEPTOR B.61
CHIMERA

(Drosophila
melanogaster;
Eptatretus
burgeri) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		4 HIS A 145
ASP A  83
THR A  84
TYR A  87
 None
 1.26A 6nmpA-4arrA:
undetectable
6nmpC-4arrA:
undetectable		 6nmpA-4arrA:
19.22
6nmpC-4arrA:
19.93
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.
4el8 GLYCOSIDE HYDROLASE
FAMILY 48

(Caldicellulosiruptor
bescii) 		PF02011
(Glyco_hydro_48) 		4 HIS A 191
ASP A 223
THR A 222
TYR A 221
 None
 1.11A 6nmpA-4el8A:
1.7
6nmpC-4el8A:
undetectable		 6nmpA-4el8A:
20.22
6nmpC-4el8A:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fnm E3 ALPHA-ESTERASE-7
CARBOXYLESTERASE

(Lucilia cuprina) 		PF00135
(COesterase) 		4 HIS A 418
ASP A 549
TYR A 536
HIS A 401
 None
 1.25A 6nmpA-4fnmA:
undetectable
6nmpC-4fnmA:
undetectable		 6nmpA-4fnmA:
20.56
6nmpC-4fnmA:
17.53
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.
4lmg IRON-REGULATED
TRANSCRIPTIONAL
ACTIVATOR AFT2

(Saccharomyces
cerevisiae) 		PF08731
(AFT) 		4 ASP A 146
THR A 145
TYR A 148
HIS A 135
 None
None
None
ZN  A 201 (-3.2A)
 1.34A 6nmpA-4lmgA:
undetectable
6nmpC-4lmgA:
undetectable		 6nmpA-4lmgA:
13.37
6nmpC-4lmgA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n1a CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		4 HIS A 877
ASP A 790
THR A 788
TYR A 787
 None
 1.40A 6nmpA-4n1aA:
undetectable
6nmpC-4n1aA:
undetectable		 6nmpA-4n1aA:
21.75
6nmpC-4n1aA:
16.81
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.
4nh0 CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		4 HIS A 877
ASP A 790
THR A 788
TYR A 787
 None
 1.43A 6nmpA-4nh0A:
0.5
6nmpC-4nh0A:
undetectable		 6nmpA-4nh0A:
17.50
6nmpC-4nh0A:
12.38
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.
4p62 METALLO-BETA-LACTAMA
SE AIM-1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 HIS A 106
ASP A 132
THR A 133
HIS A 182
 ZN  A 301 (-3.1A)
None
None
ZN  A 301 (-3.3A)
 1.46A 6nmpA-4p62A:
undetectable
6nmpC-4p62A:
undetectable		 6nmpA-4p62A:
20.00
6nmpC-4p62A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		4 HIS A 387
ASP A 214
THR A 213
HIS A 389
 HEM  A 602 (-3.7A)
None
HEM  A 602 (-3.4A)
HEM  A 602 (-3.3A)
 1.26A 6nmpA-4ph9A:
undetectable
6nmpC-4ph9A:
undetectable		 6nmpA-4ph9A:
20.29
6nmpC-4ph9A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q6u UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 4 ASP A 114
THR A 113
TYR A 132
HIS A 198
 1PE  A 401 (-3.2A)
None
None
None
 1.45A 6nmpA-4q6uA:
undetectable
6nmpC-4q6uA:
undetectable		 6nmpA-4q6uA:
21.76
6nmpC-4q6uA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tn0 UPF0141 PROTEIN YJDB

(Campylobacter
jejuni) 		PF00884
(Sulfatase) 		4 ASP A 402
THR A 401
TYR A 400
HIS A 428
 None
None
None
ZN  A 601 (-3.4A)
 1.36A 6nmpA-4tn0A:
undetectable
6nmpC-4tn0A:
undetectable		 6nmpA-4tn0A:
21.76
6nmpC-4tn0A:
22.96
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.
4tqv ALGS

(Sphingomonas
sp.) 		PF00005
(ABC_tran)
PF03459
(TOBE) 		4 HIS C  21
ASP C  15
THR C  17
TYR C  14
 None
 1.38A 6nmpA-4tqvC:
undetectable
6nmpC-4tqvC:
undetectable		 6nmpA-4tqvC:
20.76
6nmpC-4tqvC:
23.32
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.
4xly UNCHARACTERIZED
PROTEIN BLR2150

(Bradyrhizobium
diazoefficiens) 		no annotation 4 ASP A 132
THR A 133
TYR A 136
TRP A  14
 None
None
ECP  A 700 ( 4.9A)
None
 1.11A 6nmpA-4xlyA:
undetectable
6nmpC-4xlyA:
3.0		 6nmpA-4xlyA:
19.80
6nmpC-4xlyA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dmr REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H P80

(Murine leukemia
virus) 		PF00075
(RNase_H) 		4 ASP A 524
THR A 523
TYR A 522
HIS A 592
 None
 1.35A 6nmpA-5dmrA:
undetectable
6nmpC-5dmrA:
undetectable		 6nmpA-5dmrA:
15.89
6nmpC-5dmrA:
22.48
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.
5dmr REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H P80

(Murine leukemia
virus) 		PF00075
(RNase_H) 		4 HIS A 592
ASP A 583
THR A 582
TYR A 581
 None
 1.44A 6nmpA-5dmrA:
undetectable
6nmpC-5dmrA:
undetectable		 6nmpA-5dmrA:
15.89
6nmpC-5dmrA:
22.48
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.
5fjq CARBOHYDRATE BINDING
PROTEIN, PUTATIVE,
CPB33A

(Cellvibrio
japonicus) 		PF03067
(LPMO_10) 		4 HIS A 178
ASP A 198
THR A 138
HIS A 165
 None
 1.28A 6nmpA-5fjqA:
undetectable
6nmpC-5fjqA:
undetectable		 6nmpA-5fjqA:
14.54
6nmpC-5fjqA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ftz CHITIN BINDING
PROTEIN

(Streptomyces
lividans) 		PF03067
(LPMO_10) 		4 HIS A 120
ASP A 124
TYR A 155
HIS A  30
 CU  A 202 (-3.1A)
None
None
CU  A 202 (-2.9A)
 1.30A 6nmpA-5ftzA:
undetectable
6nmpC-5ftzA:
undetectable		 6nmpA-5ftzA:
16.94
6nmpC-5ftzA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		4 HIS A 386
ASP A 213
THR A 212
HIS A 388
 COH  A 602 (-3.7A)
None
COH  A 602 (-2.4A)
COH  A 602 (-3.3A)
 1.16A 6nmpA-5ikrA:
undetectable
6nmpC-5ikrA:
undetectable		 6nmpA-5ikrA:
21.04
6nmpC-5ikrA:
20.62
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.
5ip4 NEURONAL MIGRATION
PROTEIN DOUBLECORTIN

(Homo sapiens) 		PF03607
(DCX) 		4 ASP D 313
THR D 311
TYR D 310
HIS D 321
 None
 1.35A 6nmpA-5ip4D:
undetectable
6nmpC-5ip4D:
undetectable		 6nmpA-5ip4D:
11.35
6nmpC-5ip4D:
16.14
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 4 HIS A 482
ASP A 508
THR A 507
HIS A 489
 None
 1.30A 6nmpA-5nqdA:
undetectable
6nmpC-5nqdA:
undetectable		 6nmpA-5nqdA:
undetectable
6nmpC-5nqdA:
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.
5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 HIS A 674
ASP A 669
THR A 670
TYR A 671
 None
 1.24A 6nmpA-5okoA:
undetectable
6nmpC-5okoA:
undetectable		 6nmpA-5okoA:
22.94
6nmpC-5okoA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tir SUPEROXIDE DISMUTASE

(Trichoderma
reesei) 		no annotation 4 HIS A  30
ASP A  16
TYR A  13
HIS A  34
 MN  A 301 (-3.4A)
None
None
None
 1.47A 6nmpA-5tirA:
undetectable
6nmpC-5tirA:
undetectable		 6nmpA-5tirA:
19.46
6nmpC-5tirA:
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.
5y2v RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp. PCC 6803) 		no annotation 4 HIS A   0
ASP A  72
THR A  69
HIS A  -1
 None
 1.27A 6nmpA-5y2vA:
undetectable
6nmpC-5y2vA:
undetectable		 6nmpA-5y2vA:
undetectable
6nmpC-5y2vA:
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.
5y9d ACYL-COENZYME A
OXIDASE 1

(Yarrowia
lipolytica) 		no annotation 4 ASP A 519
THR A 518
TYR A 521
HIS A 548
 None
 1.14A 6nmpA-5y9dA:
undetectable
6nmpC-5y9dA:
2.1		 6nmpA-5y9dA:
undetectable
6nmpC-5y9dA:
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.
5ys9 ACYL-COENZYME A
OXIDASE 3

(Yarrowia
lipolytica) 		no annotation 4 ASP A 635
THR A 634
TYR A 633
HIS A 351
 None
 1.02A 6nmpA-5ys9A:
undetectable
6nmpC-5ys9A:
3.1		 6nmpA-5ys9A:
undetectable
6nmpC-5ys9A:
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.
6b74 COAGULATION FACTOR
XII

(Homo sapiens) 		no annotation 4 HIS B  57
ASP B 230
THR B 229
TYR B 228
 SO4  B 304 (-3.8A)
None
None
None
 1.38A 6nmpA-6b74B:
undetectable
6nmpC-6b74B:
undetectable		 6nmpA-6b74B:
undetectable
6nmpC-6b74B:
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.
6fnz NEURONAL MIGRATION
PROTEIN DOUBLECORTIN

(Homo sapiens) 		no annotation 4 ASP A 313
THR A 311
TYR A 310
HIS A 321
 None
 1.23A 6nmpA-6fnzA:
undetectable
6nmpC-6fnzA:
undetectable		 6nmpA-6fnzA:
undetectable
6nmpC-6fnzA:
undetectable