SIMILAR PATTERNS OF AMINO ACIDS FOR 4MJ8_B_SPMB201

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.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		4 ASN A 514
GLU A 519
TYR A 428
GLU A 431
 None
 1.03A 4mj8B-1c2oA:
1.6
4mj8C-1c2oA:
1.4		 4mj8B-1c2oA:
13.79
4mj8C-1c2oA:
13.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		5 ASN A 719
GLU A 782
GLU A 708
TYR A 778
GLU A 777
 None
 1.26A 4mj8B-1c7tA:
undetectable
4mj8C-1c7tA:
0.0		 4mj8B-1c7tA:
11.10
4mj8C-1c7tA:
11.10
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.
1dce PROTEIN (RAB
GERANYLGERANYLTRANSF
ERASE ALPHA SUBUNIT)

(Rattus
norvegicus) 		PF01239
(PPTA)
PF07711
(RabGGT_insert) 		4 GLU A 339
GLU A 254
GLU A 489
ARG A 534
 None
 1.12A 4mj8B-1dceA:
0.0
4mj8C-1dceA:
0.0		 4mj8B-1dceA:
14.54
4mj8C-1dceA:
14.54
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.
1h4o PEROXIREDOXIN 5

(Homo sapiens) 		PF08534
(Redoxin) 		4 GLU A  18
GLU A  16
GLU A  91
ARG A  95
 None
 1.10A 4mj8B-1h4oA:
undetectable
4mj8C-1h4oA:
undetectable		 4mj8B-1h4oA:
19.69
4mj8C-1h4oA:
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.
1i2d ATP SULFURYLASE

(Penicillium
chrysogenum) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 GLU A 380
TYR A 378
GLU A 374
ARG A 250
 None
 1.12A 4mj8B-1i2dA:
0.8
4mj8C-1i2dA:
0.7		 4mj8B-1i2dA:
15.92
4mj8C-1i2dA:
15.92
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.
1qf6 THREONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD) 		4 GLU A 305
TYR A 327
GLU A 326
ARG A 325
 None
 1.12A 4mj8B-1qf6A:
0.6
4mj8C-1qf6A:
0.6		 4mj8B-1qf6A:
13.74
4mj8C-1qf6A:
13.74
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.
1qgz PROTEIN
(FERREDOXIN:NADP+
REDUCTASE)

(Nostoc sp. PCC
7119) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 GLU A 204
TYR A 201
GLU A  29
ARG A 163
 None
 1.07A 4mj8B-1qgzA:
0.0
4mj8C-1qgzA:
undetectable		 4mj8B-1qgzA:
20.00
4mj8C-1qgzA:
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.
1qv9 F420-DEPENDENT
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE

(Methanopyrus
kandleri) 		PF01993
(MTD) 		4 MET A 200
GLU A 193
GLU A 192
ARG A 155
 None
 1.16A 4mj8B-1qv9A:
1.6
4mj8C-1qv9A:
0.6		 4mj8B-1qv9A:
22.26
4mj8C-1qv9A:
22.26
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.
1svd RIBULOSE
BISPHOSPHATE
CARBOXYLASE SMALL
CHAIN
RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE/OXYGENAS
E LARGE SUBUNIT

(Halothiobacillus
neapolitanus) 		PF00016
(RuBisCO_large)
PF00101
(RuBisCO_small)
PF02788
(RuBisCO_large_N) 		4 GLU A 418
TYR A 158
GLU M  14
ARG A 152
 None
 1.13A 4mj8B-1svdA:
0.0
4mj8C-1svdA:
0.0		 4mj8B-1svdA:
15.50
4mj8C-1svdA:
15.50
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.
1up2 CELA1 PROTEIN

(Mycobacterium
tuberculosis) 		PF01341
(Glyco_hydro_6) 		4 ASN A 307
GLU A 283
TYR A 279
ARG A 249
 None
None
None
SO4  A 386 (-3.0A)
 1.11A 4mj8B-1up2A:
undetectable
4mj8C-1up2A:
undetectable		 4mj8B-1up2A:
17.83
4mj8C-1up2A:
17.83
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.
1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, ALPHA
SUBUNIT

(Geobacillus
stearothermophilus) 		PF00676
(E1_dh) 		4 MET A  50
GLU A 314
GLU A 313
GLU A 304
 None
 1.16A 4mj8B-1w85A:
undetectable
4mj8C-1w85A:
undetectable		 4mj8B-1w85A:
16.98
4mj8C-1w85A:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		4 GLU A 376
TYR A 370
GLU A 371
ARG A 369
 None
 1.17A 4mj8B-1x8vA:
undetectable
4mj8C-1x8vA:
undetectable		 4mj8B-1x8vA:
16.96
4mj8C-1x8vA:
16.96
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.
1zl9 GLUTATHIONE
S-TRANSFERASE 5

(Caenorhabditis
elegans) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 ASN A  32
GLU A  57
TYR A  29
GLU A  30
 None
 1.03A 4mj8B-1zl9A:
undetectable
4mj8C-1zl9A:
undetectable		 4mj8B-1zl9A:
21.50
4mj8C-1zl9A:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zvn CADHERIN 1

(Gallus gallus) 		PF00028
(Cadherin) 		4 GLU A  91
GLU A  42
TYR A  71
ARG A  68
 None
 1.07A 4mj8B-1zvnA:
undetectable
4mj8C-1zvnA:
undetectable		 4mj8B-1zvnA:
22.09
4mj8C-1zvnA:
22.09
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.
2a0u INITIATION FACTOR 2B

(Leishmania
major) 		PF01008
(IF-2B) 		4 GLU A 316
GLU A 315
GLU A 321
ARG A 108
 None
None
None
SO4  A 402 (-3.0A)
 1.02A 4mj8B-2a0uA:
undetectable
4mj8C-2a0uA:
undetectable		 4mj8B-2a0uA:
19.05
4mj8C-2a0uA:
19.05
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.
2ctz O-ACETYL-L-HOMOSERIN
E SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		4 ASN A 159
GLU A 131
GLU A 132
ARG A 133
 None
 0.89A 4mj8B-2ctzA:
undetectable
4mj8C-2ctzA:
undetectable		 4mj8B-2ctzA:
17.03
4mj8C-2ctzA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d9j REGULATOR OF
G-PROTEIN SIGNALLING
7

(Homo sapiens) 		PF00615
(RGS) 		4 ASN A  44
GLU A  39
GLU A  37
GLU A  43
 None
 1.14A 4mj8B-2d9jA:
undetectable
4mj8C-2d9jA:
undetectable		 4mj8B-2d9jA:
22.40
4mj8C-2d9jA:
22.40
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.
2dld D-LACTATE
DEHYDROGENASE

(Lactobacillus
helveticus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 ASN A  18
GLU A  14
GLU A  13
ARG A  77
 None
 1.10A 4mj8B-2dldA:
undetectable
4mj8C-2dldA:
undetectable		 4mj8B-2dldA:
18.15
4mj8C-2dldA:
18.15
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.
2eb5 2-OXO-HEPT-3-ENE-1,7
-DIOATE HYDRATASE

(Escherichia
coli) 		PF01557
(FAA_hydrolase) 		4 ASN A 168
GLU A 139
GLU A 106
ARG A 104
 None
MG  A1001 ( 3.0A)
MG  A1001 ( 3.1A)
None
 0.89A 4mj8B-2eb5A:
undetectable
4mj8C-2eb5A:
undetectable		 4mj8B-2eb5A:
20.73
4mj8C-2eb5A:
20.73
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.
2ftp HYDROXYMETHYLGLUTARY
L-COA LYASE

(Pseudomonas
aeruginosa) 		PF00682
(HMGL-like) 		4 GLU A  46
GLU A  97
GLU A 173
ARG A 137
 None
 1.00A 4mj8B-2ftpA:
undetectable
4mj8C-2ftpA:
1.2		 4mj8B-2ftpA:
20.59
4mj8C-2ftpA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 GLU A 198
GLU A 241
GLU A 202
GLU A 119
 None
 0.85A 4mj8B-2gp6A:
undetectable
4mj8C-2gp6A:
undetectable		 4mj8B-2gp6A:
17.40
4mj8C-2gp6A:
17.40
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.
2hy5 INTRACELLULAR SULFUR
OXIDATION PROTEIN
DSRF

(Allochromatium
vinosum) 		PF02635
(DrsE) 		4 GLU B 306
GLU B 309
GLU B 276
ARG B 278
 None
 1.01A 4mj8B-2hy5B:
undetectable
4mj8C-2hy5B:
undetectable		 4mj8B-2hy5B:
20.88
4mj8C-2hy5B:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 MET A 337
GLU A 403
GLU A 407
ARG A 406
 None
 1.07A 4mj8B-2ivfA:
undetectable
4mj8C-2ivfA:
undetectable		 4mj8B-2ivfA:
10.92
4mj8C-2ivfA:
10.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mk6 ADAPTER PROTEIN MECA

(Bacillus
subtilis) 		PF05389
(MecA) 		4 GLU A   4
GLU A  72
TYR A  14
GLU A   2
 None
 1.00A 4mj8B-2mk6A:
undetectable
4mj8C-2mk6A:
undetectable		 4mj8B-2mk6A:
22.03
4mj8C-2mk6A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o8e DNA MISMATCH REPAIR
PROTEIN MSH6

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		4 ASN B1020
GLU B 946
GLU B1023
ARG B1025
 None
 0.73A 4mj8B-2o8eB:
undetectable
4mj8C-2o8eB:
undetectable		 4mj8B-2o8eB:
11.19
4mj8C-2o8eB:
11.19
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.
2pun METHYLTHIORIBOSE
KINASE

(Bacillus
subtilis) 		PF01636
(APH) 		4 ASN A 290
GLU A 283
TYR A 286
GLU A 389
 None
None
None
CPS  A 777 (-3.5A)
 0.99A 4mj8B-2punA:
undetectable
4mj8C-2punA:
undetectable		 4mj8B-2punA:
19.84
4mj8C-2punA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vhh CG3027-PA

(Drosophila
melanogaster) 		PF00795
(CN_hydrolase) 		4 ASN A 145
GLU A 173
GLU A 169
GLU A 144
 None
 1.07A 4mj8B-2vhhA:
undetectable
4mj8C-2vhhA:
undetectable		 4mj8B-2vhhA:
17.49
4mj8C-2vhhA:
17.49
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.
2vpw THIOSULFATE
REDUCTASE

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 GLU A 510
GLU A 487
GLU A 762
ARG A  94
 None
 1.14A 4mj8B-2vpwA:
undetectable
4mj8C-2vpwA:
undetectable		 4mj8B-2vpwA:
13.78
4mj8C-2vpwA:
13.78
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.
2wa0 MELANOMA-ASSOCIATED
ANTIGEN 4

(Homo sapiens) 		PF01454
(MAGE) 		4 GLU A 221
GLU A 219
TYR A 270
GLU A 271
 None
 1.00A 4mj8B-2wa0A:
undetectable
4mj8C-2wa0A:
undetectable		 4mj8B-2wa0A:
19.37
4mj8C-2wa0A:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xom ARABINOGALACTAN
ENDO-1,4-BETA-GALACT
OSIDASE

(Thermotoga
maritima) 		no annotation 4 ASN A 133
GLU A 130
TYR A  88
GLU A 165
 None
 1.01A 4mj8B-2xomA:
undetectable
4mj8C-2xomA:
undetectable		 4mj8B-2xomA:
23.56
4mj8C-2xomA:
23.56
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.
2xsb HYALURONOGLUCOSAMINI
DASE

(Oceanicola
granulosus) 		PF07555
(NAGidase) 		4 ASN A 262
GLU A   7
GLU A  18
ARG A  19
 None
 1.05A 4mj8B-2xsbA:
undetectable
4mj8C-2xsbA:
undetectable		 4mj8B-2xsbA:
17.57
4mj8C-2xsbA:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xsj SULFITE REDUCTASE
BETA SUBUNIT

(Desulfomicrobium
norvegicum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
PF12838
(Fer4_7) 		4 GLU B 168
GLU B 172
GLU B 330
ARG B 177
 None
 1.08A 4mj8B-2xsjB:
undetectable
4mj8C-2xsjB:
undetectable		 4mj8B-2xsjB:
16.41
4mj8C-2xsjB:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yjn DTDP-4-KETO-6-DEOXY-
HEXOSE 3,4-ISOMERASE

(Saccharopolyspora
erythraea) 		PF00067
(p450) 		4 MET B 109
GLU B  79
GLU B 292
ARG B  75
 None
 1.16A 4mj8B-2yjnB:
undetectable
4mj8C-2yjnB:
undetectable		 4mj8B-2yjnB:
16.67
4mj8C-2yjnB:
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.
2yoc PULLULANASE

(Klebsiella
oxytoca) 		PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372) 		4 GLU A 475
GLU A 377
TYR A 378
GLU A 564
 CA  A2071 (-3.0A)
None
None
None
 1.13A 4mj8B-2yocA:
undetectable
4mj8C-2yocA:
undetectable		 4mj8B-2yocA:
9.55
4mj8C-2yocA:
9.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yrf METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE

(Bacillus
subtilis) 		PF01008
(IF-2B) 		4 GLU A 291
GLU A 290
GLU A 296
ARG A  94
 None
None
None
SO4  A 501 (-3.1A)
 0.98A 4mj8B-2yrfA:
undetectable
4mj8C-2yrfA:
undetectable		 4mj8B-2yrfA:
19.83
4mj8C-2yrfA:
19.83
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.
2yvt HYPOTHETICAL PROTEIN
AQ_1956

(Aquifex
aeolicus) 		PF14582
(Metallophos_3) 		4 ASN A  99
GLU A 149
GLU A  49
GLU A  53
 None
 1.10A 4mj8B-2yvtA:
undetectable
4mj8C-2yvtA:
2.0		 4mj8B-2yvtA:
23.60
4mj8C-2yvtA:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yyy GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF01113
(DapB_N)
PF02800
(Gp_dh_C) 		4 ASN A  97
GLU A 115
TYR A 138
GLU A  99
 NAP  A2001 (-3.3A)
None
None
None
 1.11A 4mj8B-2yyyA:
undetectable
4mj8C-2yyyA:
undetectable		 4mj8B-2yyyA:
20.36
4mj8C-2yyyA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z0b PUTATIVE
GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE
5

(Homo sapiens) 		PF00686
(CBM_20) 		4 GLU A  53
GLU A  48
GLU A  14
ARG A  16
 None
 1.02A 4mj8B-2z0bA:
undetectable
4mj8C-2z0bA:
undetectable		 4mj8B-2z0bA:
18.58
4mj8C-2z0bA:
18.58
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.
2z61 PROBABLE ASPARTATE
AMINOTRANSFERASE 2

(Methanocaldococcus
jannaschii) 		PF00155
(Aminotran_1_2) 		4 ASN A 356
GLU A 281
TYR A 354
GLU A 355
 None
 1.03A 4mj8B-2z61A:
undetectable
4mj8C-2z61A:
undetectable		 4mj8B-2z61A:
21.47
4mj8C-2z61A:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z63 TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 GLU A 270
GLU A 262
GLU A 266
ARG A 264
 None
 0.84A 4mj8B-2z63A:
undetectable
4mj8C-2z63A:
undetectable		 4mj8B-2z63A:
14.66
4mj8C-2z63A:
14.66
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.
3c37 PEPTIDASE, M48
FAMILY

(Geobacter
sulfurreducens) 		PF01435
(Peptidase_M48) 		4 ASN A 109
GLU A 162
TYR A 157
GLU A 107
 None
ZN  A 301 (-2.2A)
None
None
 1.11A 4mj8B-3c37A:
undetectable
4mj8C-3c37A:
undetectable		 4mj8B-3c37A:
17.86
4mj8C-3c37A:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dan CYTOCHROME P450 74A2

(Parthenium
argentatum) 		PF00067
(p450) 		4 ASN A 287
GLU A 336
GLU A 341
ARG A 339
 None
 1.10A 4mj8B-3danA:
undetectable
4mj8C-3danA:
undetectable		 4mj8B-3danA:
20.15
4mj8C-3danA:
20.15
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.
3fob BROMOPEROXIDASE

(Bacillus
anthracis) 		PF00561
(Abhydrolase_1) 		4 TYR A  72
GLU A  70
GLU A   9
ARG A  60
 None
 1.12A 4mj8B-3fobA:
undetectable
4mj8C-3fobA:
undetectable		 4mj8B-3fobA:
18.91
4mj8C-3fobA:
18.91
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.
3g65 CHECKPOINT PROTEIN
HUS1

(Homo sapiens) 		PF04005
(Hus1) 		4 ASN C 191
GLU C 195
GLU C 183
GLU C 229
 None
 1.11A 4mj8B-3g65C:
undetectable
4mj8C-3g65C:
undetectable		 4mj8B-3g65C:
21.71
4mj8C-3g65C:
21.71
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.
3iib PEPTIDASE M28

(Shewanella
amazonensis) 		PF04389
(Peptidase_M28) 		4 GLU A 343
GLU A 339
GLU A  89
ARG A 319
 None
 1.07A 4mj8B-3iibA:
undetectable
4mj8C-3iibA:
undetectable		 4mj8B-3iibA:
16.67
4mj8C-3iibA:
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.
3jwe MGLL PROTEIN

(Homo sapiens) 		PF12146
(Hydrolase_4) 		4 GLU A 200
GLU A 284
TYR A 278
ARG A 196
 None
 1.17A 4mj8B-3jweA:
1.8
4mj8C-3jweA:
1.6		 4mj8B-3jweA:
21.56
4mj8C-3jweA:
21.56
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.
3lev RNA POLYMERASE SIGMA
FACTOR

(Thermus
aquaticus) 		PF04542
(Sigma70_r2) 		4 GLU A 196
GLU A 144
GLU A 140
ARG A 199
 None
 0.92A 4mj8B-3levA:
undetectable
4mj8C-3levA:
undetectable		 4mj8B-3levA:
23.79
4mj8C-3levA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mbf FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Encephalitozoon
cuniculi) 		PF00274
(Glycolytic) 		4 ASN A  73
GLU A  78
GLU A  75
GLU A  47
 None
 1.14A 4mj8B-3mbfA:
1.1
4mj8C-3mbfA:
undetectable		 4mj8B-3mbfA:
21.35
4mj8C-3mbfA:
21.35
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.
3oq3 IFN-ALPHA/BETA
BINDING PROTEIN C12R
INTERFERON ALPHA-5

(Ectromelia
virus;
Mus musculus) 		PF00047
(ig)
PF00143
(Interferon)
PF13895
(Ig_2) 		4 ASN A  66
MET B  36
GLU B  54
GLU A  59
 None
 1.06A 4mj8B-3oq3A:
undetectable
4mj8C-3oq3A:
undetectable		 4mj8B-3oq3A:
22.45
4mj8C-3oq3A:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qa8 MGC80376 PROTEIN

(Xenopus laevis) 		PF00069
(Pkinase) 		4 GLU A 477
GLU A 475
GLU A 640
ARG A 637
 None
 1.06A 4mj8B-3qa8A:
undetectable
4mj8C-3qa8A:
undetectable		 4mj8B-3qa8A:
14.42
4mj8C-3qa8A:
14.42
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.
3qwu DNA LIGASE

(Aquifex
aeolicus) 		PF09414
(RNA_ligase) 		4 GLU A 129
GLU A  76
GLU A 211
ARG A 210
 ADN  A 501 (-3.0A)
GOL  A 603 ( 3.1A)
CA  A 601 ( 4.7A)
GOL  A 603 (-3.8A)
 1.07A 4mj8B-3qwuA:
undetectable
4mj8C-3qwuA:
undetectable		 4mj8B-3qwuA:
21.37
4mj8C-3qwuA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		4 ASN A 582
GLU A 782
GLU A 868
ARG A 869
 None
 1.03A 4mj8B-3s1sA:
undetectable
4mj8C-3s1sA:
undetectable		 4mj8B-3s1sA:
10.99
4mj8C-3s1sA:
10.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uog ALCOHOL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLU A 123
GLU A   7
GLU A  22
ARG A  23
 None
 1.02A 4mj8B-3uogA:
undetectable
4mj8C-3uogA:
undetectable		 4mj8B-3uogA:
19.71
4mj8C-3uogA:
19.71
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.
3uv0 MUTATOR 2, ISOFORM B

(Drosophila
melanogaster) 		no annotation 4 ASN A  91
GLU A  37
GLU A  40
ARG A  26
 None
 1.09A 4mj8B-3uv0A:
undetectable
4mj8C-3uv0A:
undetectable		 4mj8B-3uv0A:
26.54
4mj8C-3uv0A:
26.54
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.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		4 GLU A 170
GLU A 171
GLU A 266
ARG A 289
 None
 1.14A 4mj8B-3wfaA:
undetectable
4mj8C-3wfaA:
undetectable		 4mj8B-3wfaA:
15.04
4mj8C-3wfaA:
15.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wnv GLYOXYLATE REDUCTASE

(Paecilomyces
sp.
'thermophila') 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 ASN A 309
GLU A 302
GLU A 304
GLU A  18
 None
 1.10A 4mj8B-3wnvA:
undetectable
4mj8C-3wnvA:
undetectable		 4mj8B-3wnvA:
22.29
4mj8C-3wnvA:
22.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wr7 SPERMIDINE
N1-ACETYLTRANSFERASE

(Escherichia
coli) 		PF13302
(Acetyltransf_3) 		6 MET A  28
GLU A  33
GLU A  34
TYR A  36
GLU A  37
GLU A  41
 None
SPD  A 201 (-3.9A)
SPD  A 201 (-4.0A)
SPD  A 201 (-4.6A)
None
SPD  A 201 (-3.1A)
 0.78A 4mj8B-3wr7A:
28.8
4mj8C-3wr7A:
28.7		 4mj8B-3wr7A:
57.06
4mj8C-3wr7A:
57.06
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.
3ziz GH5
ENDO-BETA-1,4-MANNAN
ASE

(Podospora
anserina) 		PF00150
(Cellulase) 		4 GLU A 165
TYR A 113
GLU A 169
GLU A 205
 None
None
TRS  A1352 (-2.8A)
None
 1.12A 4mj8B-3zizA:
undetectable
4mj8C-3zizA:
undetectable		 4mj8B-3zizA:
16.80
4mj8C-3zizA:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gn8 REGUCALCIN

(Mus musculus) 		PF08450
(SGL) 		4 ASN A 103
MET A 118
GLU A 121
GLU A 120
 ASO  A 305 ( 3.0A)
ASO  A 305 ( 4.4A)
ASO  A 305 (-2.4A)
None
 1.14A 4mj8B-4gn8A:
undetectable
4mj8C-4gn8A:
undetectable		 4mj8B-4gn8A:
20.60
4mj8C-4gn8A:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ipe TNF
RECEPTOR-ASSOCIATED
PROTEIN 1

(Danio rerio) 		PF00183
(HSP90)
PF13589
(HATPase_c_3) 		4 ASN A 690
GLU A 685
TYR A 688
ARG A 608
 None
 1.02A 4mj8B-4ipeA:
undetectable
4mj8C-4ipeA:
undetectable		 4mj8B-4ipeA:
12.10
4mj8C-4ipeA:
12.10
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.
4j1s POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis) 		PF08659
(KR) 		4 GLU A 258
GLU A 255
GLU A 254
ARG A 239
 None
 1.13A 4mj8B-4j1sA:
undetectable
4mj8C-4j1sA:
undetectable		 4mj8B-4j1sA:
17.72
4mj8C-4j1sA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jeu SYNTAXIN-1A
SYNTAXIN-BINDING
PROTEIN 1

(Rattus
norvegicus) 		PF00804
(Syntaxin)
PF00995
(Sec1) 		4 ASN B 236
MET A  47
GLU B 238
ARG A  39
 None
 1.14A 4mj8B-4jeuB:
undetectable
4mj8C-4jeuB:
undetectable		 4mj8B-4jeuB:
20.33
4mj8C-4jeuB:
20.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mi4 SPERMIDINE
N1-ACETYLTRANSFERASE

(Vibrio cholerae) 		PF13302
(Acetyltransf_3) 		7 ASN A  22
MET A  28
GLU A  33
GLU A  34
TYR A  36
GLU A  37
GLU A  41
 SPM  A 201 (-3.7A)
SPM  A 201 ( 4.5A)
SPM  A 201 (-3.2A)
SPM  A 201 (-4.1A)
SPM  A 201 (-4.7A)
SPM  A 201 (-3.5A)
SPM  A 201 (-2.8A)
 0.12A 4mj8B-4mi4A:
31.2
4mj8C-4mi4A:
30.9		 4mj8B-4mi4A:
100.00
4mj8C-4mi4A:
100.00
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.
4mnu SLYA-LIKE
TRANSCRIPTION
REGULATOR

(Listeria
monocytogenes) 		PF01047
(MarR) 		4 ASN A 105
TYR A 107
GLU A 104
GLU A  22
 None
 1.13A 4mj8B-4mnuA:
undetectable
4mj8C-4mnuA:
undetectable		 4mj8B-4mnuA:
24.61
4mj8C-4mnuA:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n8g TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Chromohalobacter
salexigens) 		PF03480
(DctP) 		4 ASN A 248
GLU A 250
TYR A 252
ARG A 260
 None
 1.17A 4mj8B-4n8gA:
undetectable
4mj8C-4n8gA:
undetectable		 4mj8B-4n8gA:
21.69
4mj8C-4n8gA:
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.
4nqy ISOPROPYLMALATE/CITR
AMALATE ISOMERASE
LARGE SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00330
(Aconitase) 		4 ASN A 163
GLU A 268
TYR A 265
GLU A 266
 None
 1.13A 4mj8B-4nqyA:
undetectable
4mj8C-4nqyA:
undetectable		 4mj8B-4nqyA:
15.87
4mj8C-4nqyA:
15.87
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.
4pfs COBYRINIC ACID
A,C-DIAMIDE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF13614
(AAA_31) 		4 MET A  89
GLU A  87
GLU A  37
ARG A 249
 None
 0.83A 4mj8B-4pfsA:
undetectable
4mj8C-4pfsA:
undetectable		 4mj8B-4pfsA:
19.93
4mj8C-4pfsA:
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.
4pl7 ACTIN,THYMOSIN
BETA-4

(Homo sapiens;
Komagataella
phaffii) 		PF00022
(Actin)
PF01290
(Thymosin) 		4 MET A 305
GLU A 214
GLU A 413
ARG A 210
 None
ATP  A 501 (-3.7A)
None
None
 1.08A 4mj8B-4pl7A:
undetectable
4mj8C-4pl7A:
undetectable		 4mj8B-4pl7A:
17.66
4mj8C-4pl7A:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qe0 HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF16446
(DUF5043) 		4 ASN A 140
GLU A 138
GLU A 161
ARG A 158
 None
MLY  A  68 ( 2.9A)
MLY  A 165 ( 4.4A)
GOL  A 301 ( 2.6A)
 1.05A 4mj8B-4qe0A:
undetectable
4mj8C-4qe0A:
undetectable		 4mj8B-4qe0A:
23.65
4mj8C-4qe0A:
23.65
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.
4rgp CSM6_III-A

(Streptococcus
mutans) 		PF09659
(Cas_Csm6) 		4 ASN A  72
GLU A  75
TYR A  74
GLU A  77
 None
 1.15A 4mj8B-4rgpA:
undetectable
4mj8C-4rgpA:
undetectable		 4mj8B-4rgpA:
24.43
4mj8C-4rgpA:
24.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ric FANCONI-ASSOCIATED
NUCLEASE 1

(Homo sapiens) 		PF08774
(VRR_NUC) 		4 GLU A 438
TYR A 436
GLU A 435
ARG A 420
 None
 1.08A 4mj8B-4ricA:
undetectable
4mj8C-4ricA:
undetectable		 4mj8B-4ricA:
15.57
4mj8C-4ricA:
15.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rs1 GRANULOCYTE-MACROPHA
GE
COLONY-STIMULATING
FACTOR
GRANULOCYTE-MACROPHA
GE
COLONY-STIMULATING
FACTOR RECEPTOR
SUBUNIT ALPHA

(Homo sapiens) 		PF01109
(GM_CSF)
PF09240
(IL6Ra-bind) 		4 ASN B 137
GLU A  51
GLU A  45
ARG B  65
 None
 0.79A 4mj8B-4rs1B:
undetectable
4mj8C-4rs1B:
undetectable		 4mj8B-4rs1B:
19.15
4mj8C-4rs1B:
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.
4tn0 UPF0141 PROTEIN YJDB

(Campylobacter
jejuni) 		PF00884
(Sulfatase) 		4 ASN A 392
GLU A 388
TYR A 394
ARG A 230
 None
 1.15A 4mj8B-4tn0A:
undetectable
4mj8C-4tn0A:
undetectable		 4mj8B-4tn0A:
20.25
4mj8C-4tn0A:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uxv SEPTATION RING
FORMATION REGULATOR
EZRA

(Bacillus
subtilis) 		PF06160
(EzrA) 		4 ASN A 404
GLU A 411
GLU A 337
GLU A 345
 None
 1.12A 4mj8B-4uxvA:
undetectable
4mj8C-4uxvA:
undetectable		 4mj8B-4uxvA:
16.15
4mj8C-4uxvA:
16.15
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.
4wpg DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Streptococcus
pyogenes) 		PF04321
(RmlD_sub_bind) 		4 GLU A 193
GLU A  14
TYR A  17
GLU A  21
 None
 1.17A 4mj8B-4wpgA:
undetectable
4mj8C-4wpgA:
undetectable		 4mj8B-4wpgA:
21.84
4mj8C-4wpgA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x9e DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE

(Escherichia
coli) 		PF01966
(HD) 		4 GLU A 240
GLU A 239
TYR A 236
ARG A 191
 None
 1.09A 4mj8B-4x9eA:
undetectable
4mj8C-4x9eA:
undetectable		 4mj8B-4x9eA:
16.84
4mj8C-4x9eA:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgt FRQ-INTERACTING RNA
HELICASE

(Neurospora
crassa) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT)
PF13234
(rRNA_proc-arch) 		4 ASN A 626
GLU A 309
GLU A 950
ARG A 917
 None
 1.01A 4mj8B-4xgtA:
undetectable
4mj8C-4xgtA:
undetectable		 4mj8B-4xgtA:
11.86
4mj8C-4xgtA:
11.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2

(Mycolicibacterium
smegmatis) 		PF03971
(IDH) 		4 GLU A 187
TYR A 184
GLU A 381
ARG A 495
 None
 1.06A 4mj8B-4zdaA:
undetectable
4mj8C-4zdaA:
undetectable		 4mj8B-4zdaA:
12.61
4mj8C-4zdaA:
12.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b47 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
ALPHA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01558
(POR)
PF01855
(POR_N)
PF17147
(PFOR_II) 		4 GLU A 606
GLU A 605
GLU A  52
ARG A   3
 None
 1.12A 4mj8B-5b47A:
undetectable
4mj8C-5b47A:
undetectable		 4mj8B-5b47A:
15.81
4mj8C-5b47A:
15.81
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.
5bv3 M7GPPPX
DIPHOSPHATASE

(Saccharomyces
cerevisiae) 		PF05652
(DcpS)
PF11969
(DcpS_C) 		4 GLU A 329
GLU A 137
TYR A 142
ARG A 220
 None
 1.04A 4mj8B-5bv3A:
undetectable
4mj8C-5bv3A:
undetectable		 4mj8B-5bv3A:
21.43
4mj8C-5bv3A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cwc DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 4 GLU A 104
GLU A 107
GLU A 161
ARG A 111
 None
 1.10A 4mj8B-5cwcA:
undetectable
4mj8C-5cwcA:
undetectable		 4mj8B-5cwcA:
25.00
4mj8C-5cwcA:
25.00
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.
5e02 FRQ-INTERACTING RNA
HELICASE

(Neurospora
crassa) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT)
PF13234
(rRNA_proc-arch) 		4 ASN A 626
GLU A 309
GLU A 950
ARG A 917
 None
 1.09A 4mj8B-5e02A:
undetectable
4mj8C-5e02A:
undetectable		 4mj8B-5e02A:
9.99
4mj8C-5e02A:
9.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e3e CDII IMMUNITY
PROTEIN
LARGE EXOPROTEIN
INVOLVED IN HEME
UTILIZATION OR
ADHESION

(Yersinia
kristensenii) 		no annotation 4 GLU A  23
TYR A  78
GLU A  82
ARG B 247
 None
 1.15A 4mj8B-5e3eA:
undetectable
4mj8C-5e3eA:
undetectable		 4mj8B-5e3eA:
19.44
4mj8C-5e3eA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e8c UL31

(Suid
alphaherpesvirus
1) 		PF02718
(Herpes_UL31) 		4 GLU A 251
GLU A 255
TYR A 256
ARG A 163
 None
 1.08A 4mj8B-5e8cA:
undetectable
4mj8C-5e8cA:
undetectable		 4mj8B-5e8cA:
21.46
4mj8C-5e8cA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f7u CYCLOALTERNAN-FORMIN
G ENZYME

(Listeria
monocytogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF16990
(CBM_35) 		4 GLU A 568
TYR A 313
GLU A 302
ARG A 614
 None
None
None
GLC  A1116 (-2.8A)
 1.01A 4mj8B-5f7uA:
undetectable
4mj8C-5f7uA:
0.4		 4mj8B-5f7uA:
10.58
4mj8C-5f7uA:
10.58
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.
5ig0 CAMK/CAMK2 PROTEIN
KINASE

(Salpingoeca
rosetta) 		PF08332
(CaMKII_AD) 		4 GLU A 450
TYR A 448
GLU A 385
ARG A 433
 None
GOL  A 502 (-3.0A)
GOL  A 502 (-2.5A)
SO4  A 501 ( 3.8A)
 1.03A 4mj8B-5ig0A:
undetectable
4mj8C-5ig0A:
undetectable		 4mj8B-5ig0A:
19.44
4mj8C-5ig0A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ku1 MITOCHONDRIAL RHO
GTPASE 1

(Homo sapiens) 		PF08355
(EF_assoc_1)
PF08356
(EF_assoc_2) 		4 ASN A 500
GLU A 537
GLU A 505
TYR A 506
 None
 1.12A 4mj8B-5ku1A:
undetectable
4mj8C-5ku1A:
undetectable		 4mj8B-5ku1A:
16.98
4mj8C-5ku1A:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kvu ISOCITRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF03971
(IDH) 		4 GLU A 187
TYR A 184
GLU A 381
ARG A 495
 None
 1.11A 4mj8B-5kvuA:
undetectable
4mj8C-5kvuA:
undetectable		 4mj8B-5kvuA:
12.15
4mj8C-5kvuA:
12.15
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.
5kzl HEME OXYGENASE

(Leptospira
interrogans) 		PF01126
(Heme_oxygenase) 		4 MET A  51
GLU A  52
GLU A  49
TYR A  46
 None
 1.02A 4mj8B-5kzlA:
undetectable
4mj8C-5kzlA:
undetectable		 4mj8B-5kzlA:
23.77
4mj8C-5kzlA:
23.77
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.
5m10 CYCLOHEXANONE
MONOOXYGENASE FROM
THERMOCRISPUM
MUNICIPALE

(Thermocrispum
municipale) 		PF07992
(Pyr_redox_2) 		4 ASN A 423
GLU A 122
GLU A 119
GLU A 464
 None
 1.02A 4mj8B-5m10A:
undetectable
4mj8C-5m10A:
undetectable		 4mj8B-5m10A:
16.45
4mj8C-5m10A:
16.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5of3 DNA PRIMASE LARGE
SUBUNIT PRIL

(Sulfolobus
solfataricus) 		no annotation 4 ASN B 105
GLU B 103
GLU B 104
ARG B 119
 None
 1.10A 4mj8B-5of3B:
undetectable
4mj8C-5of3B:
undetectable		 4mj8B-5of3B:
19.19
4mj8C-5of3B:
19.19
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.
5tth C-TERMINAL
SPYCATCHER FUSION OF
WILDTYPE ZEBRAFISH
TNF
RECEPTOR-ASSOCIATED
PROTEIN 1

(Danio rerio;
Streptococcus
pyogenes) 		PF00183
(HSP90)
PF13589
(HATPase_c_3) 		4 ASN A 690
GLU A 685
TYR A 688
ARG A 608
 None
 1.03A 4mj8B-5tthA:
undetectable
4mj8C-5tthA:
undetectable		 4mj8B-5tthA:
13.40
4mj8C-5tthA:
13.40
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.
5u2g PENICILLIN-BINDING
PROTEIN 1A

(Haemophilus
influenzae) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		4 ASN A 802
GLU A 800
GLU A 818
ARG A 504
 None
 1.10A 4mj8B-5u2gA:
undetectable
4mj8C-5u2gA:
undetectable		 4mj8B-5u2gA:
11.96
4mj8C-5u2gA:
11.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xbl CRISPR-ASSOCIATED
ENDONUCLEASE
CAS9/CSN1

(Streptococcus
pyogenes) 		PF13395
(HNH_4)
PF16592
(Cas9_REC)
PF16593
(Cas9-BH)
PF16595
(Cas9_PI) 		4 ASN A 436
GLU A 427
GLU A 438
ARG A 424
 None
 0.91A 4mj8B-5xblA:
undetectable
4mj8C-5xblA:
undetectable		 4mj8B-5xblA:
9.76
4mj8C-5xblA:
9.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF00374
(NiFeSe_Hases) 		4 MET D 111
GLU D 374
GLU D 200
ARG D 198
 None
 1.17A 4mj8B-5xfaD:
undetectable
4mj8C-5xfaD:
undetectable		 4mj8B-5xfaD:
17.22
4mj8C-5xfaD:
17.22
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.
5xjs GEM-ASSOCIATED
PROTEIN 2

(Homo sapiens) 		no annotation 4 ASN 2 200
GLU 2 204
GLU 2 141
GLU 2 142
 None
 1.16A 4mj8B-5xjs2:
undetectable
4mj8C-5xjs2:
undetectable		 4mj8B-5xjs2:
18.24
4mj8C-5xjs2:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xns CHROMOSOME PARTITION
PROTEIN SMC

(Pyrococcus
furiosus) 		PF02463
(SMC_N) 		4 ASN A 189
GLU A 994
GLU A 992
GLU A 187
 None
 0.98A 4mj8B-5xnsA:
undetectable
4mj8C-5xnsA:
undetectable		 4mj8B-5xnsA:
20.94
4mj8C-5xnsA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yud BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 1E

(Mus musculus) 		no annotation 4 ASN A 976
GLU A 969
TYR A 974
GLU A 975
 None
 1.13A 4mj8B-5yudA:
undetectable
4mj8C-5yudA:
undetectable		 4mj8B-5yudA:
18.64
4mj8C-5yudA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 4 GLU A  31
GLU A  27
GLU A  13
ARG A  19
 None
 1.00A 4mj8B-5zw4A:
undetectable
4mj8C-5zw4A:
undetectable		 4mj8B-5zw4A:
16.57
4mj8C-5zw4A:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c90 EXOSOME RNA HELICASE
MTR4,EXOSOME RNA
HELICASE MTR4

(Homo sapiens) 		no annotation 4 ASN A 572
GLU A 268
GLU A 885
ARG A 854
 None
None
None
MLI  A1104 (-2.9A)
 1.01A 4mj8B-6c90A:
undetectable
4mj8C-6c90A:
undetectable		 4mj8B-6c90A:
18.18
4mj8C-6c90A:
18.18