SIMILAR PATTERNS OF AMINO ACIDS FOR 6NKN_C_CHDC301_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
 1.38A 6nknA-1cpyA:
0.1
6nknC-1cpyA:
undetectable		 6nknA-1cpyA:
20.45
6nknC-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.
1eqw CU,ZN SUPEROXIDE
DISMUTASE

(Salmonella
enterica) 		PF00080
(Sod_Cu) 		4 HIS A  44
ASP A  75
TYR A  73
HIS A  46
 CU  A 502 (-3.3A)
None
None
CU  A 502 (-3.2A)
 1.44A 6nknA-1eqwA:
undetectable
6nknC-1eqwA:
undetectable		 6nknA-1eqwA:
17.05
6nknC-1eqwA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j1i META CLEAVAGE
COMPOUND HYDROLASE

(Janthinobacterium) 		PF12697
(Abhydrolase_6) 		4 ASP A  72
THR A  28
TYR A  30
HIS A  96
 None
 1.47A 6nknA-1j1iA:
0.0
6nknC-1j1iA:
undetectable		 6nknA-1j1iA:
20.04
6nknC-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
 1.48A 6nknA-1js4A:
1.7
6nknC-1js4A:
1.6		 6nknA-1js4A:
22.63
6nknC-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.
1jsw L-ASPARTATE
AMMONIA-LYASE

(Escherichia
coli) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 HIS A  26
ASP A 146
THR A 144
TYR A 148
 None
 1.24A 6nknA-1jswA:
0.0
6nknC-1jswA:
4.2		 6nknA-1jswA:
20.18
6nknC-1jswA:
19.38
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.
1kkc MANGANESE SUPEROXIDE
DISMUTASE

(Aspergillus
fumigatus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 HIS A  40
ASP A  26
TYR A  23
HIS A  44
 MN  A2001 (-3.3A)
None
None
None
 1.49A 6nknA-1kkcA:
0.5
6nknC-1kkcA:
2.3		 6nknA-1kkcA:
18.50
6nknC-1kkcA:
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.
1lur ALDOSE 1-EPIMERASE

(Caenorhabditis
elegans) 		PF01263
(Aldose_epim) 		4 HIS A1163
ASP A1276
TYR A1285
HIS A1092
 None
 0.96A 6nknA-1lurA:
undetectable
6nknC-1lurA:
undetectable		 6nknA-1lurA:
21.01
6nknC-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.
1n81 PLASMODIUM
FALCIPARUM GAMETE
ANTIGEN 27/25

(Plasmodium
falciparum) 		PF09216
(Pfg27) 		4 ASP A 164
THR A 165
TYR A 168
HIS A  28
 None
 1.45A 6nknA-1n81A:
undetectable
6nknC-1n81A:
0.8		 6nknA-1n81A:
14.40
6nknC-1n81A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.17A 6nknA-1nj1A:
undetectable
6nknC-1nj1A:
undetectable		 6nknA-1nj1A:
20.07
6nknC-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
 1.34A 6nknA-1nj8A:
0.0
6nknC-1nj8A:
undetectable		 6nknA-1nj8A:
20.61
6nknC-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
 1.26A 6nknA-1nw1A:
1.7
6nknC-1nw1A:
undetectable		 6nknA-1nw1A:
21.48
6nknC-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.
1snz ALDOSE 1-EPIMERASE

(Homo sapiens) 		PF01263
(Aldose_epim) 		4 HIS A 176
ASP A 287
TYR A 298
HIS A 107
 None
 1.27A 6nknA-1snzA:
undetectable
6nknC-1snzA:
undetectable		 6nknA-1snzA:
19.69
6nknC-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
 1.09A 6nknA-1vknA:
undetectable
6nknC-1vknA:
undetectable		 6nknA-1vknA:
21.35
6nknC-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.
1xdp POLYPHOSPHATE KINASE

(Escherichia
coli) 		PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C) 		4 HIS A 321
ASP A 679
TYR A 680
HIS A 352
 None
 1.31A 6nknA-1xdpA:
undetectable
6nknC-1xdpA:
4.5		 6nknA-1xdpA:
20.37
6nknC-1xdpA:
16.23
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.
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
 1.11A 6nknA-1xfdA:
undetectable
6nknC-1xfdA:
undetectable		 6nknA-1xfdA:
19.95
6nknC-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.
1xre SUPEROXIDE DISMUTASE

(Bacillus
anthracis) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 HIS A  28
ASP A  14
TYR A  11
HIS A  32
 MN  A 209 (-3.3A)
None
None
None
 1.50A 6nknA-1xreA:
undetectable
6nknC-1xreA:
undetectable		 6nknA-1xreA:
16.47
6nknC-1xreA:
20.68
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.
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)
 1.27A 6nknA-1ysjA:
undetectable
6nknC-1ysjA:
undetectable		 6nknA-1ysjA:
19.86
6nknC-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 6nknA-1zzhA:
undetectable
6nknC-1zzhA:
undetectable		 6nknA-1zzhA:
20.08
6nknC-1zzhA:
21.13
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
 0.00A 6nknA-2eijA:
63.9
6nknC-2eijA:
1.7		 6nknA-2eijA:
100.00
6nknC-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.
2gs4 PROTEIN YCIF

(Escherichia
coli) 		PF05974
(DUF892) 		4 ASP A  16
THR A  17
TYR A  18
HIS A  47
 None
 1.20A 6nknA-2gs4A:
1.8
6nknC-2gs4A:
3.9		 6nknA-2gs4A:
14.17
6nknC-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
 1.33A 6nknA-2hypA:
undetectable
6nknC-2hypA:
undetectable		 6nknA-2hypA:
20.49
6nknC-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.
2jir PERIPLASMIC NITRATE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 HIS A 374
ASP A 534
THR A 531
TYR A 533
 None
 1.45A 6nknA-2jirA:
undetectable
6nknC-2jirA:
undetectable		 6nknA-2jirA:
20.98
6nknC-2jirA:
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.
2qfz TBC1 DOMAIN FAMILY
MEMBER 22A

(Homo sapiens) 		PF00566
(RabGAP-TBC) 		4 ASP A 275
THR A 276
TYR A 277
HIS A 313
 None
 1.45A 6nknA-2qfzA:
undetectable
6nknC-2qfzA:
undetectable		 6nknA-2qfzA:
19.66
6nknC-2qfzA:
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.
2rcv SUPEROXIDE DISMUTASE
[MN]

(Bacillus
subtilis) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 HIS A  27
ASP A  13
TYR A  10
HIS A  31
 MN  A 203 (-3.4A)
None
None
None
 1.49A 6nknA-2rcvA:
undetectable
6nknC-2rcvA:
undetectable		 6nknA-2rcvA:
17.70
6nknC-2rcvA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vqr PUTATIVE SULFATASE

(Rhizobium
leguminosarum) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 HIS A 411
ASP A 482
TYR A 447
HIS A 494
 None
 1.32A 6nknA-2vqrA:
undetectable
6nknC-2vqrA:
undetectable		 6nknA-2vqrA:
20.48
6nknC-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 6nknA-2vycA:
undetectable
6nknC-2vycA:
undetectable		 6nknA-2vycA:
21.37
6nknC-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)
 1.31A 6nknA-2w8sA:
undetectable
6nknC-2w8sA:
undetectable		 6nknA-2w8sA:
19.33
6nknC-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.
2wwo SUPEROXIDE DISMUTASE
[CU-ZN]

(Yersinia
pseudotuberculosis) 		PF00080
(Sod_Cu) 		4 HIS A  54
ASP A  94
TYR A  92
HIS A  56
 ZN  A1165 (-3.3A)
None
None
ZN  A1165 (-3.4A)
 1.46A 6nknA-2wwoA:
undetectable
6nknC-2wwoA:
undetectable		 6nknA-2wwoA:
16.56
6nknC-2wwoA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.34A 6nknA-3b1bA:
undetectable
6nknC-3b1bA:
undetectable		 6nknA-3b1bA:
22.98
6nknC-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
 1.25A 6nknA-3d23B:
undetectable
6nknC-3d23B:
undetectable		 6nknA-3d23B:
20.69
6nknC-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.
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)
 1.09A 6nknA-3ec7A:
undetectable
6nknC-3ec7A:
undetectable		 6nknA-3ec7A:
20.73
6nknC-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
 1.33A 6nknA-3ecnA:
undetectable
6nknC-3ecnA:
undetectable		 6nknA-3ecnA:
18.32
6nknC-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.
3ib7 ICC PROTEIN

(Mycobacterium
tuberculosis) 		PF00149
(Metallophos) 		4 HIS A 261
ASP A 257
THR A 258
TYR A 255
 None
 1.43A 6nknA-3ib7A:
undetectable
6nknC-3ib7A:
undetectable		 6nknA-3ib7A:
23.25
6nknC-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.
3ig4 XAA-PRO
AMINOPEPTIDASE

(Bacillus
anthracis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		4 HIS A 350
ASP A 385
THR A 367
HIS A 239
 SO4  A 430 (-3.6A)
None
MN  A 429 ( 4.6A)
SO4  A 431 ( 3.4A)
 1.35A 6nknA-3ig4A:
undetectable
6nknC-3ig4A:
2.5		 6nknA-3ig4A:
21.63
6nknC-3ig4A:
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.
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
 1.40A 6nknA-3izq1:
undetectable
6nknC-3izq1:
undetectable		 6nknA-3izq1:
20.06
6nknC-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
 1.23A 6nknA-3j97H:
2.9
6nknC-3j97H:
4.8		 6nknA-3j97H:
19.26
6nknC-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.
3kky SUPEROXIDE DISMUTASE
[MN]

(Deinococcus
radiodurans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 211 (-3.3A)
None
None
None
 1.50A 6nknA-3kkyA:
1.7
6nknC-3kkyA:
undetectable		 6nknA-3kkyA:
17.32
6nknC-3kkyA:
19.32
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.
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
 1.26A 6nknA-3mi6A:
undetectable
6nknC-3mi6A:
undetectable		 6nknA-3mi6A:
21.28
6nknC-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 6nknA-3mn8A:
undetectable
6nknC-3mn8A:
undetectable		 6nknA-3mn8A:
23.47
6nknC-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.
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)
 1.18A 6nknA-3n58A:
undetectable
6nknC-3n58A:
undetectable		 6nknA-3n58A:
21.15
6nknC-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
 1.45A 6nknA-3sp1A:
0.4
6nknC-3sp1A:
undetectable		 6nknA-3sp1A:
20.43
6nknC-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
 1.37A 6nknA-3sp1A:
0.4
6nknC-3sp1A:
undetectable		 6nknA-3sp1A:
20.43
6nknC-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.
3vte TETRAHYDROCANNABINOL
IC ACID SYNTHASE

(Cannabis sativa) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 HIS A 318
ASP A 349
THR A 350
TYR A 354
 None
 1.32A 6nknA-3vteA:
undetectable
6nknC-3vteA:
undetectable		 6nknA-3vteA:
20.62
6nknC-3vteA:
16.73
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.
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
 1.25A 6nknA-4arrA:
undetectable
6nknC-4arrA:
undetectable		 6nknA-4arrA:
19.22
6nknC-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.
4c3h DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA190

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 HIS A 617
ASP A 631
TYR A 624
HIS A 673
 None
 1.40A 6nknA-4c3hA:
undetectable
6nknC-4c3hA:
undetectable		 6nknA-4c3hA:
14.30
6nknC-4c3hA:
9.38
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.
4dgk PHYTOENE
DEHYDROGENASE

(Pantoea
ananatis) 		PF01593
(Amino_oxidase) 		4 HIS A 323
ASP A  59
THR A  58
HIS A 353
 None
None
None
EDO  A 602 (-3.8A)
 1.46A 6nknA-4dgkA:
undetectable
6nknC-4dgkA:
undetectable		 6nknA-4dgkA:
23.01
6nknC-4dgkA:
19.15
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.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		4 HIS A 227
ASP A 164
THR A 204
HIS A 225
 ZN  A 504 (-3.3A)
None
None
None
 1.44A 6nknA-4dzhA:
undetectable
6nknC-4dzhA:
undetectable		 6nknA-4dzhA:
20.88
6nknC-4dzhA:
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.
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
 1.09A 6nknA-4el8A:
undetectable
6nknC-4el8A:
undetectable		 6nknA-4el8A:
20.22
6nknC-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.
4fib UNCHARACTERIZED
PROTEIN YDHK

(Bacillus
subtilis) 		PF07563
(DUF1541) 		4 HIS A 158
ASP A 170
TYR A 114
HIS A 194
 None
 1.48A 6nknA-4fibA:
undetectable
6nknC-4fibA:
undetectable		 6nknA-4fibA:
16.96
6nknC-4fibA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.29A 6nknA-4lmgA:
undetectable
6nknC-4lmgA:
undetectable		 6nknA-4lmgA:
13.37
6nknC-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.
4mdw UNCHARACTERIZED
PROTEIN YDHK

(Bacillus
subtilis) 		PF07563
(DUF1541) 		4 HIS A 158
ASP A 170
TYR A 114
HIS A 194
 None
 1.49A 6nknA-4mdwA:
undetectable
6nknC-4mdwA:
undetectable		 6nknA-4mdwA:
14.34
6nknC-4mdwA:
19.69
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.
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 6nknA-4n1aA:
undetectable
6nknC-4n1aA:
undetectable		 6nknA-4n1aA:
21.75
6nknC-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
 1.44A 6nknA-4nh0A:
undetectable
6nknC-4nh0A:
undetectable		 6nknA-4nh0A:
17.50
6nknC-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)
 1.49A 6nknA-4p62A:
undetectable
6nknC-4p62A:
undetectable		 6nknA-4p62A:
20.00
6nknC-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)
 1.22A 6nknA-4ph9A:
undetectable
6nknC-4ph9A:
undetectable		 6nknA-4ph9A:
20.29
6nknC-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
 1.47A 6nknA-4q6uA:
undetectable
6nknC-4q6uA:
undetectable		 6nknA-4q6uA:
21.76
6nknC-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.
4rnl POSSIBLE GALACTOSE
MUTAROTASE

(Streptomyces
platensis) 		PF01263
(Aldose_epim) 		4 HIS A 179
ASP A 285
TYR A 296
HIS A 110
 GOL  A 401 (-3.9A)
None
None
GOL  A 401 (-4.2A)
 1.20A 6nknA-4rnlA:
undetectable
6nknC-4rnlA:
undetectable		 6nknA-4rnlA:
19.58
6nknC-4rnlA:
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.
4tkt AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 ASP A3187
THR A3196
TYR A3197
HIS A3352
 None
 1.43A 6nknA-4tktA:
undetectable
6nknC-4tktA:
undetectable		 6nknA-4tktA:
21.34
6nknC-4tktA:
17.31
Potential target for repurposing, i.e. matched protein structure has less than 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)
 1.32A 6nknA-4tn0A:
undetectable
6nknC-4tn0A:
undetectable		 6nknA-4tn0A:
21.76
6nknC-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.
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
 1.17A 6nknA-4xlyA:
undetectable
6nknC-4xlyA:
2.3		 6nknA-4xlyA:
19.80
6nknC-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.
4ye9 GLUTAMINE--TRNA
LIGASE

(Homo sapiens) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C)
PF04557
(tRNA_synt_1c_R2)
PF04558
(tRNA_synt_1c_R1) 		4 ASP A 439
TYR A 440
TRP A 432
HIS A 425
 None
 1.36A 6nknA-4ye9A:
undetectable
6nknC-4ye9A:
undetectable		 6nknA-4ye9A:
19.70
6nknC-4ye9A:
16.00
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.
4ye9 GLUTAMINE--TRNA
LIGASE

(Homo sapiens) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C)
PF04557
(tRNA_synt_1c_R2)
PF04558
(tRNA_synt_1c_R1) 		4 THR A 441
TYR A 440
TRP A 432
HIS A 425
 None
 1.38A 6nknA-4ye9A:
undetectable
6nknC-4ye9A:
undetectable		 6nknA-4ye9A:
19.70
6nknC-4ye9A:
16.00
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.
4yio SUPEROXIDE DISMUTASE

(Streptococcus
thermophilus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 FE  A 301 (-3.3A)
GOL  A 308 (-2.3A)
None
None
 1.49A 6nknA-4yioA:
1.5
6nknC-4yioA:
undetectable		 6nknA-4yioA:
17.68
6nknC-4yioA:
18.87
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.
5a9g MANGANESE SUPEROXIDE
DISMUTASE

(Sphingobacterium
spiritivorum) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 HIS A  26
ASP A  12
TYR A   9
HIS A  30
 MN  A 301 (-3.3A)
None
None
None
 1.47A 6nknA-5a9gA:
undetectable
6nknC-5a9gA:
undetectable		 6nknA-5a9gA:
18.69
6nknC-5a9gA:
20.50
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.
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
 1.39A 6nknA-5dmrA:
undetectable
6nknC-5dmrA:
undetectable		 6nknA-5dmrA:
15.89
6nknC-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
 1.29A 6nknA-5fjqA:
undetectable
6nknC-5fjqA:
undetectable		 6nknA-5fjqA:
14.54
6nknC-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.
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)
 1.12A 6nknA-5ikrA:
undetectable
6nknC-5ikrA:
undetectable		 6nknA-5ikrA:
21.04
6nknC-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.
5lxz SECRETED PROTEIN

(Streptomyces
lividans) 		PF07646
(Kelch_2)
PF09118
(DUF1929) 		4 HIS B  71
ASP B 266
TYR B 277
HIS B 502
 None
None
None
CU  B 701 (-3.2A)
 1.49A 6nknA-5lxzB:
undetectable
6nknC-5lxzB:
undetectable		 6nknA-5lxzB:
20.87
6nknC-5lxzB:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m6q UNCHARACTERIZED
PROTEIN

(Kutzneria
albida) 		PF09017
(Transglut_prok) 		4 HIS A 188
ASP A  21
TYR A  22
HIS A 205
 None
PG4  A 305 (-3.6A)
None
MES  A 303 (-4.0A)
 1.24A 6nknA-5m6qA:
undetectable
6nknC-5m6qA:
undetectable		 6nknA-5m6qA:
18.98
6nknC-5m6qA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mc5 XAA-PRO DIPEPTIDASE

(Homo sapiens) 		no annotation 4 HIS A 377
ASP A 453
THR A 410
HIS A 255
 GLY  A 503 ( 3.9A)
None
MN  A 499 ( 4.0A)
PRO  A 504 (-4.2A)
 1.35A 6nknA-5mc5A:
undetectable
6nknC-5mc5A:
2.4		 6nknA-5mc5A:
undetectable
6nknC-5mc5A:
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.
5n57 SUPEROXIDE DISMUTASE

(Staphylococcus
aureus) 		no annotation 4 HIS A  27
ASP A  13
TYR A  10
HIS A  31
 MN  A 201 (-3.5A)
None
None
None
 1.49A 6nknA-5n57A:
undetectable
6nknC-5n57A:
undetectable		 6nknA-5n57A:
undetectable
6nknC-5n57A:
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.
5oh6 INTERAPTIN

(Legionella
pneumophila) 		no annotation 4 HIS A  61
ASP A  47
THR A  46
TRP A  65
 None
 1.18A 6nknA-5oh6A:
undetectable
6nknC-5oh6A:
2.9		 6nknA-5oh6A:
16.89
6nknC-5oh6A:
20.00
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.
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
 1.25A 6nknA-5okoA:
undetectable
6nknC-5okoA:
undetectable		 6nknA-5okoA:
22.94
6nknC-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
 1.43A 6nknA-5tirA:
undetectable
6nknC-5tirA:
2.2		 6nknA-5tirA:
19.46
6nknC-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.
5urb METHIONINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		4 ASP A 105
THR A 104
TYR A 107
HIS A  95
 None
 1.18A 6nknA-5urbA:
undetectable
6nknC-5urbA:
3.2		 6nknA-5urbA:
21.15
6nknC-5urbA:
16.78
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.
5v7o NOSK

(Streptomyces
actuosus) 		PF12697
(Abhydrolase_6) 		4 HIS A  36
ASP A 171
THR A 169
HIS A  45
 None
 1.40A 6nknA-5v7oA:
undetectable
6nknC-5v7oA:
undetectable		 6nknA-5v7oA:
19.34
6nknC-5v7oA:
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.
5y9d ACYL-COENZYME A
OXIDASE 1

(Yarrowia
lipolytica) 		no annotation 4 ASP A 519
THR A 518
TYR A 521
HIS A 548
 None
 1.08A 6nknA-5y9dA:
2.9
6nknC-5y9dA:
2.1		 6nknA-5y9dA:
undetectable
6nknC-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.
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
 1.34A 6nknA-6b74B:
undetectable
6nknC-6b74B:
undetectable		 6nknA-6b74B:
undetectable
6nknC-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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT A

(Flavobacterium
johnsoniae) 		no annotation 4 HIS A 361
ASP A 355
TYR A 358
HIS A 376
 HEC  A1002 (-3.2A)
None
None
HEC  A1002 (-3.2A)
 1.29A 6nknA-6btmA:
undetectable
6nknC-6btmA:
undetectable		 6nknA-6btmA:
undetectable
6nknC-6btmA:
undetectable