SIMILAR PATTERNS OF AMINO ACIDS FOR 2EIN_C_CHDC525

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.
1b06 PROTEIN (SUPEROXIDE
DISMUTASE)

(Sulfolobus
acidocaldarius) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 HIS A  33
ASP A  19
TYR A  16
HIS A  37
 FE  A 322 (-3.4A)
None
None
None
 1.49A 2einA-1b06A:
1.0
2einC-1b06A:
1.6		 2einA-1b06A:
17.37
2einC-1b06A:
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.
1bqb PROTEIN (AUREOLYSIN)

(Staphylococcus
aureus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 THR A  77
TYR A  78
TRP A 117
HIS A 148
 None
None
None
ZN  A 350 (-3.3A)
 1.20A 2einA-1bqbA:
0.3
2einC-1bqbA:
undetectable		 2einA-1bqbA:
20.96
2einC-1bqbA:
21.39
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.
1cpy SERINE
CARBOXYPEPTIDASE

(Saccharomyces
cerevisiae) 		PF00450
(Peptidase_S10) 		4 ASP A 180
THR A 179
TYR A 316
HIS A 397
 None
 1.34A 2einA-1cpyA:
1.0
2einC-1cpyA:
undetectable		 2einA-1cpyA:
20.45
2einC-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.
1d6n PROTEIN
(HYPOXANTHINE-GUANIN
E
PHOSPHORIBOSYLTRANSF
ERASE)

(Homo sapiens) 		PF00156
(Pribosyltran) 		4 HIS A  38
ASP A 134
TYR A  71
HIS A 203
 None
PRP  A 312 ( 2.9A)
None
None
 1.50A 2einA-1d6nA:
undetectable
2einC-1d6nA:
undetectable		 2einA-1d6nA:
16.94
2einC-1d6nA:
19.01
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.
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)
 1.40A 2einA-1eqwA:
undetectable
2einC-1eqwA:
undetectable		 2einA-1eqwA:
17.05
2einC-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.
1gv3 MANGANESE SUPEROXIDE
DISMUTASE

(Nostoc sp. PCC
7120) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 HIS A  62
ASP A  48
TYR A  45
HIS A  66
 MN  A1238 (-3.4A)
None
None
None
 1.50A 2einA-1gv3A:
0.9
2einC-1gv3A:
1.0		 2einA-1gv3A:
17.70
2einC-1gv3A:
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.
1j1i META CLEAVAGE
COMPOUND HYDROLASE

(Janthinobacterium) 		PF12697
(Abhydrolase_6) 		4 ASP A  72
THR A  28
TYR A  30
HIS A  96
 None
 1.37A 2einA-1j1iA:
undetectable
2einC-1j1iA:
undetectable		 2einA-1j1iA:
20.04
2einC-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
 1.42A 2einA-1js4A:
0.0
2einC-1js4A:
1.6		 2einA-1js4A:
22.63
2einC-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
 1.38A 2einA-1js4A:
0.0
2einC-1js4A:
1.6		 2einA-1js4A:
22.63
2einC-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.
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
 1.46A 2einA-1kkcA:
1.0
2einC-1kkcA:
2.2		 2einA-1kkcA:
18.50
2einC-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
 0.86A 2einA-1lurA:
undetectable
2einC-1lurA:
undetectable		 2einA-1lurA:
21.01
2einC-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
 1.48A 2einA-1n81A:
1.0
2einC-1n81A:
0.9		 2einA-1n81A:
14.40
2einC-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 2einA-1nj1A:
undetectable
2einC-1nj1A:
undetectable		 2einA-1nj1A:
20.07
2einC-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
 1.29A 2einA-1nj8A:
undetectable
2einC-1nj8A:
undetectable		 2einA-1nj8A:
20.61
2einC-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
 1.27A 2einA-1nw1A:
undetectable
2einC-1nw1A:
undetectable		 2einA-1nw1A:
21.48
2einC-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
 1.22A 2einA-1snzA:
undetectable
2einC-1snzA:
undetectable		 2einA-1snzA:
19.69
2einC-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.
1u3n HYPOTHETICAL
SUPEROXIDE
DISMUTASE-LIKE
PROTEIN YOJM

(Bacillus
subtilis) 		PF00080
(Sod_Cu) 		4 HIS A 112
ASP A 171
TYR A 172
HIS A 120
 None
 1.19A 2einA-1u3nA:
undetectable
2einC-1u3nA:
undetectable		 2einA-1u3nA:
16.12
2einC-1u3nA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 2einA-1vknA:
undetectable
2einC-1vknA:
undetectable		 2einA-1vknA:
21.35
2einC-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.
1wql IRON-SULFUR PROTEIN
LARGE SUBUNIT OF
CUMENE DIOXYGENASE

(Pseudomonas
fluorescens) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 HIS A 273
ASP A 167
TYR A 169
HIS A 444
 None
 1.44A 2einA-1wqlA:
undetectable
2einC-1wqlA:
undetectable		 2einA-1wqlA:
20.39
2einC-1wqlA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.33A 2einA-1xdpA:
undetectable
2einC-1xdpA:
4.7		 2einA-1xdpA:
20.37
2einC-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
 1.14A 2einA-1xfdA:
undetectable
2einC-1xfdA:
undetectable		 2einA-1xfdA:
19.95
2einC-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
 1.47A 2einA-1xreA:
undetectable
2einC-1xreA:
undetectable		 2einA-1xreA:
16.47
2einC-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.
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
 1.32A 2einA-1yiqA:
undetectable
2einC-1yiqA:
undetectable		 2einA-1yiqA:
21.21
2einC-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)
 1.26A 2einA-1ysjA:
1.1
2einC-1ysjA:
undetectable		 2einA-1ysjA:
19.86
2einC-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
 1.05A 2einA-1zzhA:
undetectable
2einC-1zzhA:
undetectable		 2einA-1zzhA:
20.08
2einC-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
 1.21A 2einA-2b61A:
undetectable
2einC-2b61A:
1.5		 2einA-2b61A:
21.56
2einC-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
 0.08A 2einA-2eijA:
64.8
2einC-2eijA:
3.0		 2einA-2eijA:
100.00
2einC-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
 1.16A 2einA-2gs4A:
3.9
2einC-2gs4A:
4.0		 2einA-2gs4A:
14.17
2einC-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
 1.32A 2einA-2hypA:
undetectable
2einC-2hypA:
undetectable		 2einA-2hypA:
20.49
2einC-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 2einA-2p3xA:
0.5
2einC-2p3xA:
undetectable		 2einA-2p3xA:
19.17
2einC-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
 1.35A 2einA-2q6dA:
undetectable
2einC-2q6dA:
undetectable		 2einA-2q6dA:
21.14
2einC-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.
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
 1.43A 2einA-2qfzA:
2.2
2einC-2qfzA:
undetectable		 2einA-2qfzA:
19.66
2einC-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.
2qrd SNF1-LIKE PROTEIN
KINASE SSP2
SPCC1919.03C PROTEIN

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF16579
(AdenylateSensor)
PF04739
(AMPKBI) 		4 ASP A 493
THR A 496
TYR A 495
HIS B 235
 None
 1.48A 2einA-2qrdA:
undetectable
2einC-2qrdA:
undetectable		 2einA-2qrdA:
13.89
2einC-2qrdA:
17.97
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.
2qrd SNF1-LIKE PROTEIN
KINASE SSP2
SPCC1919.03C PROTEIN

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF16579
(AdenylateSensor)
PF04739
(AMPKBI) 		4 ASP A 493
THR A 496
TYR A 495
HIS B 264
 None
 1.46A 2einA-2qrdA:
undetectable
2einC-2qrdA:
undetectable		 2einA-2qrdA:
13.89
2einC-2qrdA:
17.97
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.
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
 1.47A 2einA-2rcvA:
undetectable
2einC-2rcvA:
undetectable		 2einA-2rcvA:
17.70
2einC-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
 1.31A 2einA-2vqrA:
undetectable
2einC-2vqrA:
undetectable		 2einA-2vqrA:
20.48
2einC-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
 1.43A 2einA-2vycA:
undetectable
2einC-2vycA:
undetectable		 2einA-2vycA:
21.37
2einC-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 2einA-2w8sA:
undetectable
2einC-2w8sA:
undetectable		 2einA-2w8sA:
19.33
2einC-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.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		4 ASP A 222
THR A 223
TYR A 224
HIS A 806
 None
 1.45A 2einA-2x2iA:
undetectable
2einC-2x2iA:
undetectable		 2einA-2x2iA:
18.50
2einC-2x2iA:
12.40
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		4 HIS A 271
ASP A 153
TRP A  93
HIS A 185
 None
 1.31A 2einA-3b1bA:
undetectable
2einC-3b1bA:
undetectable		 2einA-3b1bA:
22.98
2einC-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
 1.31A 2einA-3d23B:
undetectable
2einC-3d23B:
undetectable		 2einA-3d23B:
20.69
2einC-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
 1.45A 2einA-3d62A:
undetectable
2einC-3d62A:
undetectable		 2einA-3d62A:
20.46
2einC-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)
 1.15A 2einA-3ec7A:
undetectable
2einC-3ec7A:
undetectable		 2einA-3ec7A:
20.73
2einC-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
 1.30A 2einA-3ecnA:
undetectable
2einC-3ecnA:
undetectable		 2einA-3ecnA:
18.32
2einC-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
 1.41A 2einA-3hoaA:
undetectable
2einC-3hoaA:
2.7		 2einA-3hoaA:
22.80
2einC-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.
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
 1.32A 2einA-3izq1:
undetectable
2einC-3izq1:
undetectable		 2einA-3izq1:
20.06
2einC-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
 1.24A 2einA-3j97H:
2.4
2einC-3j97H:
5.0		 2einA-3j97H:
19.26
2einC-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
 1.48A 2einA-3kkyA:
undetectable
2einC-3kkyA:
undetectable		 2einA-3kkyA:
17.32
2einC-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
 1.24A 2einA-3mi6A:
undetectable
2einC-3mi6A:
undetectable		 2einA-3mi6A:
21.28
2einC-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
 1.43A 2einA-3mn8A:
undetectable
2einC-3mn8A:
undetectable		 2einA-3mn8A:
23.47
2einC-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)
 1.17A 2einA-3n58A:
0.1
2einC-3n58A:
undetectable		 2einA-3n58A:
21.15
2einC-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.
3nad FERULATE
DECARBOXYLASE

(Bacillus
pumilus) 		PF05870
(PA_decarbox) 		4 ASP A 129
THR A  12
TYR A  13
HIS A   8
 None
 1.38A 2einA-3nadA:
undetectable
2einC-3nadA:
undetectable		 2einA-3nadA:
13.51
2einC-3nadA:
18.35
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.
3qbw ANHYDRO-N-ACETYLMURA
MIC ACID KINASE

(Pseudomonas
aeruginosa) 		PF03702
(AnmK) 		4 HIS A 147
ASP A 316
THR A 315
TYR A 318
 None
 1.12A 2einA-3qbwA:
undetectable
2einC-3qbwA:
undetectable		 2einA-3qbwA:
21.43
2einC-3qbwA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2einA-3sp1A:
undetectable
2einC-3sp1A:
undetectable		 2einA-3sp1A:
20.43
2einC-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
 1.34A 2einA-3sp1A:
undetectable
2einC-3sp1A:
undetectable		 2einA-3sp1A:
20.43
2einC-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
 1.36A 2einA-3vteA:
undetectable
2einC-3vteA:
undetectable		 2einA-3vteA:
20.62
2einC-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.
3wh7 BETA-GLUCOSIDASE

(metagenomes) 		PF00232
(Glyco_hydro_1) 		4 HIS A 121
ASP A 403
TYR A 415
TRP A 122
 FCB  A 501 (-4.0A)
None
FCB  A 501 ( 3.7A)
None
 1.48A 2einA-3wh7A:
undetectable
2einC-3wh7A:
undetectable		 2einA-3wh7A:
21.89
2einC-3wh7A:
20.58
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.
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
 1.20A 2einA-4arrA:
undetectable
2einC-4arrA:
undetectable		 2einA-4arrA:
19.22
2einC-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.
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)
 1.48A 2einA-4dgkA:
undetectable
2einC-4dgkA:
undetectable		 2einA-4dgkA:
23.01
2einC-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.
4dmo N-HYDROXYARYLAMINE
O-ACETYLTRANSFERASE

(Bacillus cereus) 		PF00797
(Acetyltransf_2) 		4 ASP A 231
THR A 229
TYR A 251
HIS A 225
 None
 1.43A 2einA-4dmoA:
undetectable
2einC-4dmoA:
undetectable		 2einA-4dmoA:
19.31
2einC-4dmoA:
22.11
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.
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
 1.37A 2einA-4dzhA:
undetectable
2einC-4dzhA:
undetectable		 2einA-4dzhA:
20.88
2einC-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
 1.03A 2einA-4el8A:
undetectable
2einC-4el8A:
undetectable		 2einA-4el8A:
20.22
2einC-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.
4jz2 SUPEROXIDE DISMUTASE

(Clostridioides
difficile) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 HIS A  56
ASP A  42
TYR A  39
HIS A  60
 CO  A 301 (-3.3A)
None
None
None
 1.50A 2einA-4jz2A:
undetectable
2einC-4jz2A:
undetectable		 2einA-4jz2A:
17.50
2einC-4jz2A:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 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)
 1.30A 2einA-4lmgA:
undetectable
2einC-4lmgA:
undetectable		 2einA-4lmgA:
13.37
2einC-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.
4lq1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 ASP A 491
THR A 489
TYR A 492
TRP A 628
 None
 1.45A 2einA-4lq1A:
undetectable
2einC-4lq1A:
undetectable		 2einA-4lq1A:
21.78
2einC-4lq1A:
18.69
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 2einA-4n1aA:
0.0
2einC-4n1aA:
undetectable		 2einA-4n1aA:
21.75
2einC-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.
4p2b GLUTAMINE
AMINOACYL-TRNA
SYNTHETASE

(Toxoplasma
gondii) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ASP A 226
TYR A 227
TRP A 219
HIS A 212
 None
 1.42A 2einA-4p2bA:
undetectable
2einC-4p2bA:
undetectable		 2einA-4p2bA:
20.13
2einC-4p2bA:
19.10
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.
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)
 1.28A 2einA-4ph9A:
undetectable
2einC-4ph9A:
undetectable		 2einA-4ph9A:
20.29
2einC-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
 1.49A 2einA-4q6uA:
undetectable
2einC-4q6uA:
undetectable		 2einA-4q6uA:
21.76
2einC-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.
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
 1.45A 2einA-4tktA:
undetectable
2einC-4tktA:
undetectable		 2einA-4tktA:
21.34
2einC-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)
 1.40A 2einA-4tn0A:
undetectable
2einC-4tn0A:
undetectable		 2einA-4tn0A:
21.76
2einC-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
 1.08A 2einA-4xlyA:
undetectable
2einC-4xlyA:
2.0		 2einA-4xlyA:
19.80
2einC-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
 1.38A 2einA-4ye9A:
undetectable
2einC-4ye9A:
undetectable		 2einA-4ye9A:
19.70
2einC-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
 1.39A 2einA-4ye9A:
undetectable
2einC-4ye9A:
undetectable		 2einA-4ye9A:
19.70
2einC-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
 1.46A 2einA-4yioA:
undetectable
2einC-4yioA:
undetectable		 2einA-4yioA:
17.68
2einC-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.
4yip SUPEROXIDE DISMUTASE
[MN/FE]

(Streptococcus
mutans) 		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)
None
None
None
 1.48A 2einA-4yipA:
undetectable
2einC-4yipA:
undetectable		 2einA-4yipA:
18.18
2einC-4yipA:
19.06
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.
4ymk ACYL-COA DESATURASE
1

(Mus musculus) 		PF00487
(FA_desaturase) 		4 HIS A 297
THR A 123
TYR A 304
HIS A 298
 ZN  A 401 (-3.2A)
None
None
ZN  A 402 (-3.4A)
 1.32A 2einA-4ymkA:
undetectable
2einC-4ymkA:
undetectable		 2einA-4ymkA:
21.62
2einC-4ymkA:
20.17
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.
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
 1.45A 2einA-5a9gA:
undetectable
2einC-5a9gA:
undetectable		 2einA-5a9gA:
18.69
2einC-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 HIS A 592
ASP A 583
THR A 582
TYR A 581
 None
 1.43A 2einA-5dmrA:
undetectable
2einC-5dmrA:
undetectable		 2einA-5dmrA:
15.89
2einC-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.
5dt5 BETA-GLUCOSIDASE

(Exiguobacterium
antarcticum) 		PF00232
(Glyco_hydro_1) 		4 HIS A 125
ASP A  39
THR A  38
HIS A 180
 None
 1.47A 2einA-5dt5A:
undetectable
2einC-5dt5A:
undetectable		 2einA-5dt5A:
20.33
2einC-5dt5A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2einA-5fjqA:
undetectable
2einC-5fjqA:
undetectable		 2einA-5fjqA:
14.54
2einC-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)
 1.35A 2einA-5ftzA:
undetectable
2einC-5ftzA:
undetectable		 2einA-5ftzA:
16.94
2einC-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)
 1.20A 2einA-5ikrA:
undetectable
2einC-5ikrA:
undetectable		 2einA-5ikrA:
21.04
2einC-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.
5kku POLYKETIDE SYNTHASE
TYPE I

(Bacillus
amyloliquefaciens) 		PF14765
(PS-DH) 		4 HIS A  25
ASP A  40
THR A  37
HIS A 155
 None
 1.35A 2einA-5kkuA:
undetectable
2einC-5kkuA:
undetectable		 2einA-5kkuA:
20.16
2einC-5kkuA:
20.12
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.
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)
 1.27A 2einA-5m6qA:
undetectable
2einC-5m6qA:
undetectable		 2einA-5m6qA:
18.98
2einC-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.
5n56 SUPEROXIDE DISMUTASE
[MN/FE] 1

(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 2einA-5n56A:
undetectable
2einC-5n56A:
undetectable		 2einA-5n56A:
undetectable
2einC-5n56A:
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
 1.48A 2einA-5n57A:
undetectable
2einC-5n57A:
undetectable		 2einA-5n57A:
undetectable
2einC-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.
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
 1.36A 2einA-5nqdA:
undetectable
2einC-5nqdA:
undetectable		 2einA-5nqdA:
undetectable
2einC-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.
5oh6 INTERAPTIN

(Legionella
pneumophila) 		no annotation 4 HIS A  61
ASP A  47
THR A  46
TRP A  65
 None
 1.06A 2einA-5oh6A:
undetectable
2einC-5oh6A:
1.9		 2einA-5oh6A:
16.89
2einC-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.
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
 1.41A 2einA-5tirA:
undetectable
2einC-5tirA:
2.1		 2einA-5tirA:
19.46
2einC-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
 1.16A 2einA-5urbA:
undetectable
2einC-5urbA:
3.4		 2einA-5urbA:
21.15
2einC-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.
5xnu PUTATIVE INTEGRAL
MEMBRANE PROTEIN

(Escherichia
coli) 		no annotation 4 HIS A 220
ASP A 302
THR A 303
TYR A 306
 None
 1.47A 2einA-5xnuA:
undetectable
2einC-5xnuA:
undetectable		 2einA-5xnuA:
undetectable
2einC-5xnuA:
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
 1.12A 2einA-5y9dA:
undetectable
2einC-5y9dA:
2.2		 2einA-5y9dA:
undetectable
2einC-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
 1.08A 2einA-5ys9A:
2.4
2einC-5ys9A:
3.2		 2einA-5ys9A:
undetectable
2einC-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
 1.33A 2einA-6b74B:
undetectable
2einC-6b74B:
undetectable		 2einA-6b74B:
undetectable
2einC-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)
 1.40A 2einA-6btmA:
undetectable
2einC-6btmA:
undetectable		 2einA-6btmA:
undetectable
2einC-6btmA:
undetectable