SIMILAR PATTERNS OF AMINO ACIDS FOR 4R82_A_ACTA205_0

List of similar pattern of amino acids derived from ASSAM search

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

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

(Bos taurus) 		PF00246
(Peptidase_M14) 		4 SER A  41
GLY A  44
ARG A  45
GLU A  43
 None
 1.25A 4r82A-1arlA:
0.0
4r82B-1arlA:
0.0		 4r82A-1arlA:
22.77
4r82B-1arlA:
22.77
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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		4 SER A 314
GLY A 315
ARG A 316
GLU A  45
 None
 1.32A 4r82A-1c3rA:
0.0
4r82B-1c3rA:
0.0		 4r82A-1c3rA:
18.45
4r82B-1c3rA:
18.45
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.
1ei7 COAT PROTEIN

(Tobacco mosaic
virus) 		PF00721
(TMV_coat) 		4 SER A 148
GLY A 149
GLU A 145
PHE A 144
 None
 1.30A 4r82A-1ei7A:
undetectable
4r82B-1ei7A:
undetectable		 4r82A-1ei7A:
20.20
4r82B-1ei7A:
20.20
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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 SER A 825
ARG A 331
GLU A 810
PHE A 279
 None
 1.26A 4r82A-1h0hA:
0.0
4r82B-1h0hA:
0.0		 4r82A-1h0hA:
12.71
4r82B-1h0hA:
12.71
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.
1iqc DI-HEME PEROXIDASE

(Nitrosomonas
europaea) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		4 SER A 181
ARG A 265
GLU A 271
PHE A 267
 None
None
None
HEM  A 402 (-4.7A)
 0.84A 4r82A-1iqcA:
0.0
4r82B-1iqcA:
0.0		 4r82A-1iqcA:
19.61
4r82B-1iqcA:
19.61
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.
1iqc DI-HEME PEROXIDASE

(Nitrosomonas
europaea) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		4 SER A 181
GLY A 180
ARG A 265
PHE A 267
 None
None
None
HEM  A 402 (-4.7A)
 1.06A 4r82A-1iqcA:
0.0
4r82B-1iqcA:
0.0		 4r82A-1iqcA:
19.61
4r82B-1iqcA:
19.61
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.
1j2q PROTEASOME ALPHA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		4 SER A  16
GLY A  19
GLU A  25
PHE A  22
 None
 1.31A 4r82A-1j2qA:
0.9
4r82B-1j2qA:
0.8		 4r82A-1j2qA:
22.51
4r82B-1j2qA:
22.51
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.
1jqg CARBOXYPEPTIDASE A

(Helicoverpa
armigera) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 SER A  41
GLY A  44
ARG A  45
GLU A  43
 None
 1.26A 4r82A-1jqgA:
0.0
4r82B-1jqgA:
0.0		 4r82A-1jqgA:
17.62
4r82B-1jqgA:
17.62
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.
1ku1 ARF
GUANINE-NUCLEOTIDE
EXCHANGE FACTOR 2

(Saccharomyces
cerevisiae) 		PF01369
(Sec7) 		4 SER A 727
GLY A 728
GLU A 724
PHE A 723
 None
 0.81A 4r82A-1ku1A:
undetectable
4r82B-1ku1A:
undetectable		 4r82A-1ku1A:
19.59
4r82B-1ku1A:
19.59
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1
METHANOL
DEHYDROGENASE
SUBUNIT 2

(Paracoccus
denitrificans;
Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF02315
(MDH) 		4 GLY B  41
ARG A 181
GLU A 206
PHE A 199
 None
 0.91A 4r82A-1lrwB:
undetectable
4r82B-1lrwB:
undetectable		 4r82A-1lrwB:
16.85
4r82B-1lrwB:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pca PROCARBOXYPEPTIDASE
A PCPA

(Sus scrofa) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 SER A  41
GLY A  44
ARG A  45
GLU A  43
 None
 1.28A 4r82A-1pcaA:
0.0
4r82B-1pcaA:
0.0		 4r82A-1pcaA:
18.83
4r82B-1pcaA:
18.83
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.
1q1q SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
A

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		4 SER A 205
GLY A 204
ARG A 208
GLU A 197
 None
 0.86A 4r82A-1q1qA:
undetectable
4r82B-1q1qA:
undetectable		 4r82A-1q1qA:
19.37
4r82B-1q1qA:
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.
1q20 SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
B

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		4 SER A 220
GLY A 219
ARG A 223
GLU A 212
 None
 0.97A 4r82A-1q20A:
undetectable
4r82B-1q20A:
undetectable		 4r82A-1q20A:
22.48
4r82B-1q20A:
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.
1q9c SON OF SEVENLESS
PROTEIN

(Homo sapiens) 		PF00125
(Histone) 		4 GLY A  21
ARG A  20
GLU A  50
PHE A  11
 None
 1.17A 4r82A-1q9cA:
undetectable
4r82B-1q9cA:
undetectable		 4r82A-1q9cA:
22.27
4r82B-1q9cA:
22.27
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.
1qjp OUTER MEMBRANE
PROTEIN A

(Escherichia
coli) 		PF01389
(OmpA_membrane) 		4 SER A 167
ARG A 138
GLU A  52
PHE A  40
 None
 1.31A 4r82A-1qjpA:
undetectable
4r82B-1qjpA:
undetectable		 4r82A-1qjpA:
28.17
4r82B-1qjpA:
28.17
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.
1ryn PROTEIN CRS2

(Zea mays) 		PF01195
(Pept_tRNA_hydro) 		4 GLY A 138
ARG A  21
GLU A 158
PHE A 154
 GLY  A 138 ( 0.0A)
ARG  A  21 ( 0.6A)
GLU  A 158 ( 0.6A)
PHE  A 154 ( 1.3A)
 1.02A 4r82A-1rynA:
undetectable
4r82B-1rynA:
undetectable		 4r82A-1rynA:
24.19
4r82B-1rynA:
24.19
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.
1sfc PROTEIN (SNAP-25B)

(Rattus
norvegicus) 		PF00835
(SNAP-25) 		4 SER D 154
GLY D 155
GLU D 151
PHE D 133
 None
 1.31A 4r82A-1sfcD:
undetectable
4r82B-1sfcD:
undetectable		 4r82A-1sfcD:
19.30
4r82B-1sfcD:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1te4 CONSERVED PROTEIN
MTH187

(Methanothermobacter
thermautotrophicus) 		PF13646
(HEAT_2) 		4 SER A  71
GLY A  67
ARG A  70
PHE A  99
 None
 1.05A 4r82A-1te4A:
undetectable
4r82B-1te4A:
undetectable		 4r82A-1te4A:
21.86
4r82B-1te4A:
21.86
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.
1vp5 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE

(Thermotoga
maritima) 		PF00248
(Aldo_ket_red) 		4 GLY A 194
ARG A 195
GLU A 193
PHE A 269
 None
None
NAP  A 300 (-3.4A)
None
 1.22A 4r82A-1vp5A:
undetectable
4r82B-1vp5A:
undetectable		 4r82A-1vp5A:
21.60
4r82B-1vp5A:
21.60
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.
1w98 G1/S-SPECIFIC CYCLIN
E1

(Homo sapiens) 		PF00134
(Cyclin_N)
PF02984
(Cyclin_C) 		4 SER B 328
GLY B 327
ARG B 324
PHE B 292
 None
 1.18A 4r82A-1w98B:
undetectable
4r82B-1w98B:
undetectable		 4r82A-1w98B:
19.79
4r82B-1w98B:
19.79
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.
1xvt CROTONOBETAINYL-COA:
CARNITINE
COA-TRANSFERASE

(Escherichia
coli) 		PF02515
(CoA_transf_3) 		4 SER A  20
GLY A  21
GLU A  94
PHE A  92
 COA  A 501 ( 4.0A)
None
None
None
 1.33A 4r82A-1xvtA:
undetectable
4r82B-1xvtA:
undetectable		 4r82A-1xvtA:
20.34
4r82B-1xvtA:
20.34
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.
1yle ARGININE
N-SUCCINYLTRANSFERAS
E, ALPHA CHAIN

(Pseudomonas
aeruginosa) 		PF04958
(AstA) 		4 SER A 196
GLY A 197
GLU A 193
PHE A 254
 None
 1.29A 4r82A-1yleA:
undetectable
4r82B-1yleA:
undetectable		 4r82A-1yleA:
22.03
4r82B-1yleA:
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.
1yvl SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION
1-ALPHA/BETA

(Homo sapiens) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind)
PF02865
(STAT_int) 		4 SER A 470
GLY A 467
GLU A 428
PHE A 487
 None
 1.07A 4r82A-1yvlA:
undetectable
4r82B-1yvlA:
undetectable		 4r82A-1yvlA:
15.82
4r82B-1yvlA:
15.82
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.
2cfm THERMOSTABLE DNA
LIGASE

(Pyrococcus
furiosus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 SER A 469
GLY A 470
ARG A 526
PHE A 524
 None
 1.32A 4r82A-2cfmA:
undetectable
4r82B-2cfmA:
undetectable		 4r82A-2cfmA:
16.27
4r82B-2cfmA:
16.27
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.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		4 SER A 159
GLY A 157
ARG A 158
PHE A  51
 None
None
XYS  A1773 ( 3.3A)
None
 1.11A 4r82A-2cn3A:
undetectable
4r82B-2cn3A:
undetectable		 4r82A-2cn3A:
15.18
4r82B-2cn3A:
15.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e7z ACETYLENE HYDRATASE
AHY

(Pelobacter
acetylenicus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 SER A 155
GLY A 154
ARG A 150
PHE A 384
 None
 1.17A 4r82A-2e7zA:
undetectable
4r82B-2e7zA:
undetectable		 4r82A-2e7zA:
14.13
4r82B-2e7zA:
14.13
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.
2ec5 DERMONECROTIC TOXIN

(Pasteurella
multocida) 		PF11647
(MLD) 		4 SER A 688
GLY A 689
ARG A 851
GLU A 639
 None
 1.32A 4r82A-2ec5A:
undetectable
4r82B-2ec5A:
undetectable		 4r82A-2ec5A:
14.68
4r82B-2ec5A:
14.68
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.
2gfi PHYTASE

(Debaryomyces
castellii) 		PF00328
(His_Phos_2) 		4 SER A 168
GLY A 169
ARG A 170
GLU A 122
 None
 1.19A 4r82A-2gfiA:
undetectable
4r82B-2gfiA:
undetectable		 4r82A-2gfiA:
17.43
4r82B-2gfiA:
17.43
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.
2gks BIFUNCTIONAL SAT/APS
KINASE

(Aquifex
aeolicus) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 SER A 130
GLY A  36
ARG A  33
GLU A  93
 None
 1.33A 4r82A-2gksA:
1.7
4r82B-2gksA:
undetectable		 4r82A-2gksA:
15.68
4r82B-2gksA:
15.68
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.
2hqj PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Leishmania
major) 		PF00160
(Pro_isomerase) 		4 SER A 120
GLY A 119
GLU A  83
PHE A  74
 None
 1.28A 4r82A-2hqjA:
undetectable
4r82B-2hqjA:
undetectable		 4r82A-2hqjA:
20.83
4r82B-2hqjA:
20.83
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.
2iip NICOTINAMIDE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		4 GLY A 217
ARG A 218
GLU A 222
PHE A 235
 None
 1.24A 4r82A-2iipA:
undetectable
4r82B-2iipA:
undetectable		 4r82A-2iipA:
20.27
4r82B-2iipA:
20.27
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.
2ip2 PROBABLE
PHENAZINE-SPECIFIC
METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		4 GLY A 143
ARG A 145
GLU A 105
PHE A 101
 None
 1.23A 4r82A-2ip2A:
undetectable
4r82B-2ip2A:
undetectable		 4r82A-2ip2A:
20.98
4r82B-2ip2A:
20.98
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.
2kjq DNAA-RELATED PROTEIN

(Neisseria
meningitidis) 		no annotation 4 SER A 113
GLY A 114
ARG A 109
GLU A  85
 None
 1.06A 4r82A-2kjqA:
undetectable
4r82B-2kjqA:
undetectable		 4r82A-2kjqA:
25.62
4r82B-2kjqA:
25.62
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.
2lri AUTOIMMUNE REGULATOR

(Homo sapiens) 		no annotation 4 SER C  57
GLY C  58
ARG C  54
PHE C  40
 None
 0.99A 4r82A-2lriC:
undetectable
4r82B-2lriC:
undetectable		 4r82A-2lriC:
19.57
4r82B-2lriC:
19.57
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.
2n1t SYNAPTOSOMAL-ASSOCIA
TED PROTEIN 25

(Homo sapiens) 		no annotation 4 SER D 154
GLY D 155
GLU D 151
PHE D 133
 None
 1.34A 4r82A-2n1tD:
undetectable
4r82B-2n1tD:
undetectable		 4r82A-2n1tD:
19.44
4r82B-2n1tD:
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.
2nsm CARBOXYPEPTIDASE N
CATALYTIC CHAIN

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		4 SER A  34
GLY A  37
ARG A  38
GLU A  36
 None
 1.31A 4r82A-2nsmA:
undetectable
4r82B-2nsmA:
undetectable		 4r82A-2nsmA:
18.10
4r82B-2nsmA:
18.10
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.
2o5p FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug) 		4 GLY A 567
ARG A 568
GLU A 565
PHE A 593
 None
 1.17A 4r82A-2o5pA:
undetectable
4r82B-2o5pA:
undetectable		 4r82A-2o5pA:
14.68
4r82B-2o5pA:
14.68
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.
2pif UPF0317 PROTEIN
PSPTO_5379

(Pseudomonas
syringae group
genomosp. 3) 		PF07286
(DUF1445) 		4 SER A  83
GLY A  82
ARG A  19
PHE A 257
 None
 1.22A 4r82A-2pifA:
undetectable
4r82B-2pifA:
undetectable		 4r82A-2pifA:
24.46
4r82B-2pifA:
24.46
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.
2vhh CG3027-PA

(Drosophila
melanogaster) 		PF00795
(CN_hydrolase) 		4 SER A 317
GLY A 316
ARG A 333
GLU A 266
 None
 1.22A 4r82A-2vhhA:
undetectable
4r82B-2vhhA:
undetectable		 4r82A-2vhhA:
17.96
4r82B-2vhhA:
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.
2z2i PEPTIDYL-TRNA
HYDROLASE

(Mycobacterium
tuberculosis) 		PF01195
(Pept_tRNA_hydro) 		4 GLY A 138
ARG A  21
GLU A 158
PHE A 154
 None
 0.98A 4r82A-2z2iA:
undetectable
4r82B-2z2iA:
undetectable		 4r82A-2z2iA:
21.05
4r82B-2z2iA:
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.
2zgi PUTATIVE
4-AMINO-4-DEOXYCHORI
SMATE LYASE

(Thermus
thermophilus) 		PF01063
(Aminotran_4) 		4 GLY A 217
ARG A 162
GLU A 147
PHE A 146
 PLP  A 248 (-3.5A)
None
None
None
 1.29A 4r82A-2zgiA:
undetectable
4r82B-2zgiA:
undetectable		 4r82A-2zgiA:
21.83
4r82B-2zgiA:
21.83
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.
2zpa UNCHARACTERIZED
PROTEIN YPFI

(Escherichia
coli) 		PF05127
(Helicase_RecD)
PF08351
(DUF1726)
PF13718
(GNAT_acetyltr_2)
PF17176
(tRNA_bind_3) 		4 SER A  26
GLY A  27
ARG A 153
GLU A 110
 None
 1.06A 4r82A-2zpaA:
undetectable
4r82B-2zpaA:
undetectable		 4r82A-2zpaA:
15.15
4r82B-2zpaA:
15.15
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.
3asa LL-DIAMINOPIMELATE
AMINOTRANSFERASE

(Chlamydia
trachomatis) 		PF00155
(Aminotran_1_2) 		4 SER A 101
GLY A 103
ARG A 110
PHE A 274
 None
 1.29A 4r82A-3asaA:
undetectable
4r82B-3asaA:
undetectable		 4r82A-3asaA:
22.19
4r82B-3asaA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ceg BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 6

(Homo sapiens) 		PF00179
(UQ_con) 		4 GLY A4688
ARG A4687
GLU A4675
PHE A4678
 None
 1.27A 4r82A-3cegA:
undetectable
4r82B-3cegA:
undetectable		 4r82A-3cegA:
20.13
4r82B-3cegA:
20.13
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.
3e74 ALLANTOINASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		4 GLY A  76
ARG A  78
GLU A 405
PHE A 439
 None
 1.24A 4r82A-3e74A:
undetectable
4r82B-3e74A:
undetectable		 4r82A-3e74A:
18.61
4r82B-3e74A:
18.61
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.
3gfa PUTATIVE
NITROREDUCTASE

(Clostridioides
difficile) 		PF00881
(Nitroreductase) 		4 SER A  78
GLY A  77
GLU A  68
PHE A 154
 None
 1.34A 4r82A-3gfaA:
undetectable
4r82B-3gfaA:
undetectable		 4r82A-3gfaA:
20.83
4r82B-3gfaA:
20.83
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.
3igr RIBOSOMAL-PROTEIN-S5
-ALANINE
N-ACETYLTRANSFERASE

(Aliivibrio
fischeri) 		PF13302
(Acetyltransf_3) 		4 GLY A 111
ARG A 115
GLU A   8
PHE A   7
 None
 1.25A 4r82A-3igrA:
undetectable
4r82B-3igrA:
undetectable		 4r82A-3igrA:
21.94
4r82B-3igrA:
21.94
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.
3khk TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLATION SUBUNIT

(Methanosarcina
mazei) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		4 SER A 389
GLY A 388
GLU A 420
PHE A 441
 None
 1.31A 4r82A-3khkA:
undetectable
4r82B-3khkA:
undetectable		 4r82A-3khkA:
15.35
4r82B-3khkA:
15.35
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.
3kml COAT PROTEIN

(Tobacco mosaic
virus) 		PF00721
(TMV_coat) 		4 SER A  50
GLY A  51
GLU A  47
PHE A  46
 None
 1.26A 4r82A-3kmlA:
undetectable
4r82B-3kmlA:
undetectable		 4r82A-3kmlA:
19.49
4r82B-3kmlA:
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.
3m3i PUTATIVE
UNCHARACTERIZED
PROTEIN

(Leishmania
major) 		PF06172
(Cupin_5) 		4 SER A 150
GLY A 149
GLU A  27
PHE A  57
 None
 1.08A 4r82A-3m3iA:
undetectable
4r82B-3m3iA:
undetectable		 4r82A-3m3iA:
22.46
4r82B-3m3iA:
22.46
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.
3nb3 OUTER MEMBRANE
PROTEIN A

(Escherichia
coli) 		PF01389
(OmpA_membrane) 		4 SER A 167
ARG A 138
GLU A  52
PHE A  40
 None
 1.31A 4r82A-3nb3A:
undetectable
4r82B-3nb3A:
undetectable		 4r82A-3nb3A:
20.23
4r82B-3nb3A:
20.23
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.
3ogr BETA-GALACTOSIDASE

(Trichoderma
reesei) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 SER A 724
GLY A 723
ARG A 154
GLU A 850
 None
 0.96A 4r82A-3ogrA:
undetectable
4r82B-3ogrA:
undetectable		 4r82A-3ogrA:
11.38
4r82B-3ogrA:
11.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qqv GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Corynebacterium
glutamicum) 		PF00348
(polyprenyl_synt) 		4 GLY A 328
ARG A 325
GLU A 330
PHE A 263
 None
 1.33A 4r82A-3qqvA:
undetectable
4r82B-3qqvA:
undetectable		 4r82A-3qqvA:
21.31
4r82B-3qqvA:
21.31
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.
3sgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		4 SER A 222
GLY A 223
ARG A 453
GLU A 350
 None
 0.97A 4r82A-3sghA:
undetectable
4r82B-3sghA:
undetectable		 4r82A-3sghA:
18.07
4r82B-3sghA:
18.07
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.
3tt2 GCN5-RELATED
N-ACETYLTRANSFERASE

(Sphaerobacter
thermophilus) 		PF00583
(Acetyltransf_1) 		4 SER A 248
GLY A 247
ARG A 198
PHE A 192
 None
 1.24A 4r82A-3tt2A:
undetectable
4r82B-3tt2A:
undetectable		 4r82A-3tt2A:
21.95
4r82B-3tt2A:
21.95
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.
3ttf TRANSCRIPTIONAL
REGULATORY PROTEIN

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		4 SER A 367
GLY A 368
ARG A 365
GLU A 369
 None
 1.28A 4r82A-3ttfA:
undetectable
4r82B-3ttfA:
undetectable		 4r82A-3ttfA:
16.49
4r82B-3ttfA:
16.49
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.
3vpo RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT M2

(Homo sapiens) 		PF00268
(Ribonuc_red_sm) 		4 GLY A 222
ARG A 224
GLU A 152
PHE A 149
 None
 1.03A 4r82A-3vpoA:
undetectable
4r82B-3vpoA:
undetectable		 4r82A-3vpoA:
18.62
4r82B-3vpoA:
18.62
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.
3vta CUCUMISIN

(Cucumis melo) 		PF00082
(Peptidase_S8) 		4 SER A 363
GLY A 364
ARG A 365
GLU A 398
 None
 1.18A 4r82A-3vtaA:
undetectable
4r82B-3vtaA:
undetectable		 4r82A-3vtaA:
17.78
4r82B-3vtaA:
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.
3wz0 RIBONUCLEASE P
PROTEIN COMPONENT 2

(Thermococcus
kodakarensis) 		no annotation 5 SER C  93
GLY C  92
ARG C  27
GLU C  33
PHE C  29
 None
 1.43A 4r82A-3wz0C:
undetectable
4r82B-3wz0C:
undetectable		 4r82A-3wz0C:
23.24
4r82B-3wz0C:
23.24
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.
3zxe GALECTIN-7

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		4 SER A  63
GLY A  70
GLU A  73
PHE A 109
 None
 1.27A 4r82A-3zxeA:
undetectable
4r82B-3zxeA:
undetectable		 4r82A-3zxeA:
23.66
4r82B-3zxeA:
23.66
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.
4byf UNCONVENTIONAL
MYOSIN-IC

(Homo sapiens) 		PF00063
(Myosin_head)
PF00612
(IQ) 		4 SER A 104
GLY A 105
ARG A 589
PHE A 414
 None
 1.27A 4r82A-4byfA:
undetectable
4r82B-4byfA:
undetectable		 4r82A-4byfA:
13.14
4r82B-4byfA:
13.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ctd OUTER MEMBRANE
PROTEIN G

(Escherichia
coli) 		PF09381
(Porin_OmpG) 		4 SER A 239
GLY A 263
GLU A 241
PHE A 227
 CL  A1273 (-3.3A)
None
CL  A1273 (-3.9A)
None
 1.28A 4r82A-4ctdA:
undetectable
4r82B-4ctdA:
undetectable		 4r82A-4ctdA:
22.02
4r82B-4ctdA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d05 ATP-DEPENDENT DNA
LIGASE

(Psychromonas
sp. SP041) 		PF01068
(DNA_ligase_A_M)
PF14743
(DNA_ligase_OB_2) 		4 SER A  76
GLY A  77
GLU A  73
PHE A  72
 None
 1.22A 4r82A-4d05A:
undetectable
4r82B-4d05A:
undetectable		 4r82A-4d05A:
20.74
4r82B-4d05A:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d61 EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
GTP-BINDING SUBUNIT
ERF3A

(Homo sapiens) 		PF01201
(Ribosomal_S8e) 		4 SER i 452
GLY i 453
ARG i 432
PHE i 600
 None
 1.29A 4r82A-4d61i:
2.6
4r82B-4d61i:
undetectable		 4r82A-4d61i:
18.66
4r82B-4d61i:
18.66
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.
4djn RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT M2 B

(Homo sapiens) 		PF00268
(Ribonuc_red_sm) 		4 GLY A 184
ARG A 186
GLU A 114
PHE A 111
 None
 1.06A 4r82A-4djnA:
undetectable
4r82B-4djnA:
undetectable		 4r82A-4djnA:
18.71
4r82B-4djnA:
18.71
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.
4dn7 ABC TRANSPORTER,
ATP-BINDING PROTEIN

(Methanosarcina
mazei) 		PF01458
(UPF0051) 		4 SER A 242
GLY A 215
ARG A 241
GLU A  24
 None
 1.21A 4r82A-4dn7A:
undetectable
4r82B-4dn7A:
undetectable		 4r82A-4dn7A:
19.19
4r82B-4dn7A:
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.
4ezi UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 4 GLY A 241
ARG A 345
GLU A 239
PHE A 235
 None
 1.33A 4r82A-4eziA:
undetectable
4r82B-4eziA:
undetectable		 4r82A-4eziA:
19.52
4r82B-4eziA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gqh CAPSID PROTEIN

(Tobacco mosaic
virus) 		PF00721
(TMV_coat) 		4 SER A 148
GLY A 149
GLU A 145
PHE A 144
 None
 1.24A 4r82A-4gqhA:
undetectable
4r82B-4gqhA:
undetectable		 4r82A-4gqhA:
19.80
4r82B-4gqhA:
19.80
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.
4gys ALLOPHANATE
HYDROLASE

(Granulibacter
bethesdensis) 		PF01425
(Amidase) 		4 GLY A 448
ARG A 451
GLU A 444
PHE A 411
 None
 1.19A 4r82A-4gysA:
undetectable
4r82B-4gysA:
undetectable		 4r82A-4gysA:
16.92
4r82B-4gysA:
16.92
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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH

(Vibrio
parahaemolyticus) 		PF02386
(TrkH) 		4 GLY A 355
ARG A 360
GLU A 470
PHE A 402
 None
 1.23A 4r82A-4j9uA:
undetectable
4r82B-4j9uA:
undetectable		 4r82A-4j9uA:
15.85
4r82B-4j9uA:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kma GM14141P

(Drosophila
melanogaster) 		PF05076
(SUFU)
PF12470
(SUFU_C) 		4 GLY A 198
ARG A 236
GLU A 203
PHE A 200
 None
 1.33A 4r82A-4kmaA:
undetectable
4r82B-4kmaA:
undetectable		 4r82A-4kmaA:
16.60
4r82B-4kmaA:
16.60
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.
4kw7 ARSENIC
METHYLTRANSFERASE

(Cyanidioschyzon
sp. 5508) 		PF13847
(Methyltransf_31) 		4 SER A 331
GLY A 196
ARG A 332
GLU A 198
 None
 1.21A 4r82A-4kw7A:
undetectable
4r82B-4kw7A:
undetectable		 4r82A-4kw7A:
20.27
4r82B-4kw7A:
20.27
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.
4l6y PROTEIN REGULATOR OF
CYTOKINESIS 1

(Homo sapiens) 		PF03999
(MAP65_ASE1) 		4 SER A 267
GLY A 266
ARG A 240
GLU A 233
 None
 1.30A 4r82A-4l6yA:
undetectable
4r82B-4l6yA:
undetectable		 4r82A-4l6yA:
15.10
4r82B-4l6yA:
15.10
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.
4lq1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 SER A 172
GLY A 173
ARG A 169
GLU A 176
 None
 1.29A 4r82A-4lq1A:
undetectable
4r82B-4lq1A:
undetectable		 4r82A-4lq1A:
16.33
4r82B-4lq1A:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mhc NUCLEOPORIN NUP157

(Saccharomyces
cerevisiae) 		PF08801
(Nucleoporin_N) 		4 SER A 642
GLY A 711
ARG A 718
GLU A 639
 None
 1.18A 4r82A-4mhcA:
undetectable
4r82B-4mhcA:
undetectable		 4r82A-4mhcA:
11.94
4r82B-4mhcA:
11.94
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.
4nrh COPN

(Chlamydia
pneumoniae) 		PF07201
(HrpJ) 		4 SER A 201
GLY A 202
ARG A 204
GLU A 106
 None
 1.33A 4r82A-4nrhA:
undetectable
4r82B-4nrhA:
undetectable		 4r82A-4nrhA:
21.02
4r82B-4nrhA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q38 PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24

(Actinoplanes
teichomyceticus) 		no annotation 4 GLY A  87
ARG A 129
GLU A 226
PHE A 224
 None
 1.22A 4r82A-4q38A:
undetectable
4r82B-4q38A:
undetectable		 4r82A-4q38A:
21.04
4r82B-4q38A:
21.04
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.
4rvw ZNUD

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER A 166
GLY A 153
ARG A  43
GLU A 151
 None
 1.30A 4r82A-4rvwA:
undetectable
4r82B-4rvwA:
undetectable		 4r82A-4rvwA:
14.43
4r82B-4rvwA:
14.43
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.
4uxd 2-DEHYDRO-3-DEOXY-D-
GLUCONATE/2-DEHYDRO-
3-DEOXY-PHOSPHOGLUCO
NATE ALDOLASE

(Picrophilus
torridus) 		PF00701
(DHDPS) 		4 GLY A  17
ARG A 264
GLU A  55
PHE A  51
 None
 1.01A 4r82A-4uxdA:
undetectable
4r82B-4uxdA:
undetectable		 4r82A-4uxdA:
19.72
4r82B-4uxdA:
19.72
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.
4yly PEPTIDYL-TRNA
HYDROLASE

(Staphylococcus
aureus) 		PF01195
(Pept_tRNA_hydro) 		4 GLY A 134
ARG A  18
GLU A 154
PHE A 150
 None
 0.87A 4r82A-4ylyA:
undetectable
4r82B-4ylyA:
undetectable		 4r82A-4ylyA:
22.61
4r82B-4ylyA:
22.61
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.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		4 SER A 161
ARG A 158
GLU A 366
PHE A 367
 XP4  A1404 ( 4.7A)
None
None
None
 1.28A 4r82A-4zxiA:
undetectable
4r82B-4zxiA:
undetectable		 4r82A-4zxiA:
10.26
4r82B-4zxiA:
10.26
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.
5a0k LABDANE-RELATED
DITERPENE SYNTHASE

(Streptomyces
sp.) 		no annotation 4 GLY A 282
ARG A 280
GLU A 302
PHE A  20
 None
 0.95A 4r82A-5a0kA:
undetectable
4r82B-5a0kA:
undetectable		 4r82A-5a0kA:
20.77
4r82B-5a0kA:
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.
5aoh CARF

(Serratia sp.
ATCC 39006) 		PF03781
(FGE-sulfatase) 		4 SER A 241
GLY A 240
ARG A 168
PHE A  21
 None
 0.84A 4r82A-5aohA:
undetectable
4r82B-5aohA:
undetectable		 4r82A-5aohA:
23.13
4r82B-5aohA:
23.13
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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCON1
CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT II

(Pseudomonas
stutzeri;
Pseudomonas
stutzeri) 		PF00115
(COX1)
PF02433
(FixO) 		4 SER A  52
GLY A  54
ARG A  55
GLU B  63
 None
HEC  B 301 ( 4.0A)
None
None
 1.07A 4r82A-5djqA:
undetectable
4r82B-5djqA:
undetectable		 4r82A-5djqA:
18.74
4r82B-5djqA:
18.74
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.
5ey6 PHI CLASS
GLUTATHIONE
TRANSFERASE GSTF2

(Populus
trichocarpa) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 SER A 114
GLY A 115
GLU A 106
PHE A 110
 None
 1.32A 4r82A-5ey6A:
undetectable
4r82B-5ey6A:
undetectable		 4r82A-5ey6A:
23.48
4r82B-5ey6A:
23.48
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.
5glg FUMARATE REDUCTASE 2

(Saccharomyces
cerevisiae) 		PF00890
(FAD_binding_2) 		4 SER A 481
GLY A 479
ARG A 153
PHE A 101
 None
SIN  A 601 (-3.6A)
None
None
 1.26A 4r82A-5glgA:
undetectable
4r82B-5glgA:
undetectable		 4r82A-5glgA:
16.34
4r82B-5glgA:
16.34
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.
5gyy S-LOCUS PROTEIN 11

(Brassica rapa) 		PF06876
(SCRL) 		4 SER G  12
GLY G  13
ARG G  48
PHE G  27
 None
 0.93A 4r82A-5gyyG:
undetectable
4r82B-5gyyG:
undetectable		 4r82A-5gyyG:
14.05
4r82B-5gyyG:
14.05
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.
5h05 AMYP

(marine
metagenome) 		PF00128
(Alpha-amylase) 		4 SER A 137
GLY A 140
ARG A 141
GLU A 139
 None
 1.28A 4r82A-5h05A:
undetectable
4r82B-5h05A:
undetectable		 4r82A-5h05A:
15.32
4r82B-5h05A:
15.32
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.
5i0p BETA-LACTAMASE
DOMAIN PROTEIN

(Burkholderia
ambifaria) 		PF00753
(Lactamase_B) 		4 GLY A 113
ARG A 114
GLU A  75
PHE A  78
 None
 1.14A 4r82A-5i0pA:
undetectable
4r82B-5i0pA:
undetectable		 4r82A-5i0pA:
20.91
4r82B-5i0pA:
20.91
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.
5l6s GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF00483
(NTP_transferase) 		4 SER A 352
GLY A 336
ARG A 353
GLU A 311
 None
 0.87A 4r82A-5l6sA:
undetectable
4r82B-5l6sA:
undetectable		 4r82A-5l6sA:
18.16
4r82B-5l6sA:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqx NON-STRUCTURAL
PROTEIN3

(Venezuelan
equine
encephalitis
virus) 		no annotation 4 SER A 115
GLY A 116
ARG A 120
GLU A  78
 None
 1.18A 4r82A-5mqxA:
undetectable
4r82B-5mqxA:
undetectable		 4r82A-5mqxA:
undetectable
4r82B-5mqxA:
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.
5nvr TELOMERE LENGTH
REGULATOR PROTEIN
RIF1

(Saccharomyces
cerevisiae) 		PF12231
(Rif1_N) 		4 SER A 534
GLY A 535
ARG A 537
GLU A 461
 None
 1.33A 4r82A-5nvrA:
undetectable
4r82B-5nvrA:
undetectable		 4r82A-5nvrA:
9.46
4r82B-5nvrA:
9.46
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.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobacter
sp. CaT2) 		PF00384
(Molybdopterin) 		4 GLY B  13
ARG B 395
GLU B 397
PHE B 136
 None
 1.14A 4r82A-5t5iB:
undetectable
4r82B-5t5iB:
undetectable		 4r82A-5t5iB:
18.56
4r82B-5t5iB:
18.56
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.
5wze AMINOPEPTIDASE P

(Pseudomonas
aeruginosa) 		no annotation 4 SER A 231
GLY A 230
GLU A 216
PHE A 219
 None
 1.25A 4r82A-5wzeA:
undetectable
4r82B-5wzeA:
undetectable		 4r82A-5wzeA:
undetectable
4r82B-5wzeA:
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.
5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE

(Sphingobium sp.
SYK-6) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 GLY A 321
ARG A 322
GLU A 326
PHE A 315
 None
 1.09A 4r82A-5x1nA:
undetectable
4r82B-5x1nA:
undetectable		 4r82A-5x1nA:
17.41
4r82B-5x1nA:
17.41
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.
5x2o TASTE RECEPTOR, TYPE
1, MEMBER 3

(Oryzias latipes) 		PF01094
(ANF_receptor) 		4 SER B 169
GLY B 171
ARG B 188
PHE B 186
 None
ARG  B 951 (-4.2A)
None
None
 1.08A 4r82A-5x2oB:
undetectable
4r82B-5x2oB:
undetectable		 4r82A-5x2oB:
18.60
4r82B-5x2oB:
18.60
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.
5x2q TASTE RECEPTOR, TYPE
1, MEMBER 2A

(Oryzias latipes) 		PF01094
(ANF_receptor) 		4 SER A 161
GLY A 163
ARG A 180
PHE A 178
 None
GLY  A 951 (-4.9A)
None
None
 1.19A 4r82A-5x2qA:
undetectable
4r82B-5x2qA:
undetectable		 4r82A-5x2qA:
17.32
4r82B-5x2qA:
17.32
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.
5xu1 ABC TRANSPORTER
PERMEAE

(Streptococcus
pneumoniae) 		no annotation 4 SER M 314
ARG M 318
GLU M 342
PHE M 339
 None
 1.23A 4r82A-5xu1M:
undetectable
4r82B-5xu1M:
undetectable		 4r82A-5xu1M:
undetectable
4r82B-5xu1M:
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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum) 		no annotation 4 GLY A  31
ARG A 490
GLU A  23
PHE A 491
 None
 1.25A 4r82A-6ercA:
undetectable
4r82B-6ercA:
undetectable		 4r82A-6ercA:
undetectable
4r82B-6ercA:
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.
6f79 -

(-) 		no annotation 4 SER A  38
GLY A  41
ARG A  42
GLU A  40
 None
 1.28A 4r82A-6f79A:
undetectable
4r82B-6f79A:
undetectable		 4r82A-6f79A:
undetectable
4r82B-6f79A:
undetectable