SIMILAR PATTERNS OF AMINO ACIDS FOR 1RNR_A_DAHA208

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.
1gl9 REVERSE GYRASE

(Archaeoglobus
fulgidus) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 HIS B 876
SER B 790
PHE B 789
ILE B 797
GLU B 875
 None
 1.46A 1rnrA-1gl9B:
undetectable		 1rnrA-1gl9B:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h0n RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Mus musculus) 		PF00268
(Ribonuc_red_sm) 		5 ASP A 139
GLU A 170
HIS A 173
PHE A 241
ILE A 263
 CO  A1353 (-1.8A)
CO  A1354 ( 2.5A)
CO  A1353 (-3.2A)
None
None
 0.72A 1rnrA-1h0nA:
31.2		 1rnrA-1h0nA:
25.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h0n RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Mus musculus) 		PF00268
(Ribonuc_red_sm) 		6 GLU A 170
HIS A 173
GLU A 233
PHE A 241
ILE A 263
GLU A 267
 CO  A1354 ( 2.5A)
CO  A1353 (-3.2A)
CO  A1354 (-1.7A)
None
None
CO  A1354 ( 2.3A)
 0.53A 1rnrA-1h0nA:
31.2		 1rnrA-1h0nA:
25.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h0n RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Mus musculus) 		PF00268
(Ribonuc_red_sm) 		6 HIS A 173
GLU A 233
SER A 240
PHE A 241
ILE A 263
GLU A 267
 CO  A1353 (-3.2A)
CO  A1354 (-1.7A)
None
None
None
CO  A1354 ( 2.3A)
 0.87A 1rnrA-1h0nA:
31.2		 1rnrA-1h0nA:
25.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kgp RIBONUCLEOTIDE
REDUCTASE PROTEIN
R2F

(Corynebacterium
ammoniagenes) 		PF00268
(Ribonuc_red_sm) 		9 ASP A  77
GLU A 108
HIS A 111
LEU A 167
GLU A 168
TYR A 173
PHE A 176
ILE A 198
GLU A 202
 MN  A1001 (-2.7A)
MN  A1001 ( 2.3A)
MN  A1001 (-3.2A)
None
MN  A1002 (-1.8A)
None
None
None
MN  A1001 ( 2.2A)
 0.84A 1rnrA-1kgpA:
30.9		 1rnrA-1kgpA:
26.56
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.
1kgp RIBONUCLEOTIDE
REDUCTASE PROTEIN
R2F

(Corynebacterium
ammoniagenes) 		PF00268
(Ribonuc_red_sm) 		5 LEU A 167
GLU A 168
TYR A 173
SER A 174
PHE A 176
 None
MN  A1002 (-1.8A)
None
None
None
 1.32A 1rnrA-1kgpA:
30.9		 1rnrA-1kgpA:
26.56
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.
1nf6 BACTERIOFERRITIN

(Desulfovibrio
desulfuricans) 		PF00210
(Ferritin) 		5 GLU A  56
HIS A  59
GLU A  99
ILE A 128
GLU A 132
 FE  A 200 (-2.2A)
None
FE  A 200 (-2.4A)
None
FE  A 200 (-2.4A)
 0.75A 1rnrA-1nf6A:
9.9		 1rnrA-1nf6A:
18.77
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.
1nf6 BACTERIOFERRITIN

(Desulfovibrio
desulfuricans) 		PF00210
(Ferritin) 		5 GLU A 132
HIS A 135
GLU A  23
ILE A  52
GLU A  56
 FE  A 200 (-2.4A)
FE  A 200 (-3.2A)
None
None
FE  A 200 (-2.2A)
 0.86A 1rnrA-1nf6A:
9.9		 1rnrA-1nf6A:
18.77
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.
1nf6 BACTERIOFERRITIN

(Desulfovibrio
desulfuricans) 		PF00210
(Ferritin) 		5 HIS A  59
GLU A  99
SER A 107
ILE A 128
GLU A 132
 None
FE  A 200 (-2.4A)
None
None
FE  A 200 (-2.4A)
 1.45A 1rnrA-1nf6A:
9.9		 1rnrA-1nf6A:
18.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pm2 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
BETA CHAIN

(Escherichia
coli) 		PF00268
(Ribonuc_red_sm) 		9 GLU A 115
HIS A 118
LEU A 203
GLU A 204
ARG A 207
TYR A 209
PHE A 212
ILE A 234
GLU A 238
 MN  A 502 ( 2.3A)
MN  A 501 (-3.1A)
None
MN  A 502 (-2.2A)
None
None
None
None
MN  A 502 ( 2.5A)
 0.49A 1rnrA-1pm2A:
54.0		 1rnrA-1pm2A:
99.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pm2 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
BETA CHAIN

(Escherichia
coli) 		PF00268
(Ribonuc_red_sm) 		8 GLU A 115
HIS A 118
LEU A 203
GLU A 204
ARG A 207
TYR A 209
SER A 211
GLU A 238
 MN  A 502 ( 2.3A)
MN  A 501 (-3.1A)
None
MN  A 502 (-2.2A)
None
None
None
MN  A 502 ( 2.5A)
 0.73A 1rnrA-1pm2A:
54.0		 1rnrA-1pm2A:
99.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pm2 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
BETA CHAIN

(Escherichia
coli) 		PF00268
(Ribonuc_red_sm) 		6 GLU A 238
HIS A 241
LEU A  83
GLU A  84
SER A  90
GLU A 115
 MN  A 502 ( 2.5A)
MN  A 502 (-3.1A)
None
MN  A 501 (-1.9A)
None
MN  A 502 ( 2.3A)
 1.19A 1rnrA-1pm2A:
54.0		 1rnrA-1pm2A:
99.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r2f PROTEIN
(RIBONUCLEOTIDE
REDUCTASE R2)

(Salmonella
enterica) 		PF00268
(Ribonuc_red_sm) 		9 ASP A  67
GLU A  98
HIS A 101
LEU A 157
GLU A 158
TYR A 163
PHE A 166
ILE A 188
GLU A 192
 FE  A 400 (-3.0A)
FE  A 401 ( 2.3A)
FE  A 400 (-3.4A)
None
FE  A 401 (-1.7A)
None
None
None
FE  A 400 ( 2.1A)
 0.92A 1rnrA-1r2fA:
30.4		 1rnrA-1r2fA:
25.78
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.
1ryt RUBRERYTHRIN

(Desulfovibrio
vulgaris) 		PF02915
(Rubrerythrin) 		5 GLU A  53
HIS A  56
GLU A  94
ILE A 124
GLU A 128
 FE  A 600 ( 2.4A)
None
FE  A 600 (-1.9A)
None
FE  A 601 ( 2.3A)
 0.81A 1rnrA-1rytA:
9.7		 1rnrA-1rytA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1smq RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SMALL CHAIN 1

(Saccharomyces
cerevisiae) 		PF00268
(Ribonuc_red_sm) 		7 GLU A 176
HIS A 179
GLU A 239
SER A 246
PHE A 247
ILE A 269
GLU A 273
 None
 1.05A 1rnrA-1smqA:
26.6		 1rnrA-1smqA:
23.85
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.
1uzr RIBONUCLEOTIDE
REDUCTASE R2-2 SMALL
SUBUNIT

(Mycobacterium
tuberculosis) 		PF00268
(Ribonuc_red_sm) 		8 ASP A  72
GLU A 103
HIS A 106
GLU A 163
TYR A 168
PHE A 171
ILE A 193
GLU A 197
 FE  A1292 (-2.5A)
FE  A1293 ( 2.3A)
FE  A1292 (-3.2A)
FE  A1293 (-2.0A)
None
None
None
FE  A1292 ( 2.1A)
 0.81A 1rnrA-1uzrA:
31.1		 1rnrA-1uzrA:
25.71
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.
1uzr RIBONUCLEOTIDE
REDUCTASE R2-2 SMALL
SUBUNIT

(Mycobacterium
tuberculosis) 		PF00268
(Ribonuc_red_sm) 		8 ASP A  72
GLU A 103
HIS A 106
LEU A 162
GLU A 163
TYR A 168
PHE A 171
ILE A 193
 FE  A1292 (-2.5A)
FE  A1293 ( 2.3A)
FE  A1292 (-3.2A)
None
FE  A1293 (-2.0A)
None
None
None
 0.67A 1rnrA-1uzrA:
31.1		 1rnrA-1uzrA:
25.71
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.
1vjx PUTATIVE
FERRITIN-LIKE
DIIRON-CARBOXYLATE
PROTEIN TM1526

(Thermotoga
maritima) 		PF02915
(Rubrerythrin) 		5 GLU A  43
HIS A  46
GLU A 100
ILE A 126
GLU A 130
 None
 0.99A 1rnrA-1vjxA:
6.9		 1rnrA-1vjxA:
18.18
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.
1y0y FRV OPERON PROTEIN
FRVX

(Pyrococcus
horikoshii) 		PF05343
(Peptidase_M42) 		5 HIS A 323
LEU A 216
GLU A 212
ILE A  72
GLU A 213
 ZN  A1002 ( 3.3A)
None
ZN  A1001 (-3.8A)
None
ZN  A1002 ( 2.0A)
 1.39A 1rnrA-1y0yA:
undetectable		 1rnrA-1y0yA:
20.44
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.
1za0 POSSIBLE
ACYL-[ACYL-CARRIER
PROTEIN] DESATURASE
DESA2 (ACYL-[ACP]
DESATURASE)
(STEAROYL-ACP
DESATURASE)

(Mycobacterium
tuberculosis) 		PF03405
(FA_desaturase_2) 		5 GLU A 107
HIS A 110
GLU A 159
ILE A 185
GLU A 189
 MN  A 888 (-2.7A)
None
MN  A 888 (-2.0A)
None
MN  A 888 (-2.6A)
 0.80A 1rnrA-1za0A:
13.8		 1rnrA-1za0A:
21.65
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.
2ani RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA SUBUNIT

(Chlamydia
trachomatis) 		PF00268
(Ribonuc_red_sm) 		7 GLU A 120
HIS A 123
GLU A 193
TYR A 198
PHE A 201
ILE A 223
GLU A 227
 FE  A 347 ( 2.4A)
FE  A 348 (-3.5A)
FE  A 347 (-2.7A)
None
None
None
FE  A 347 ( 2.1A)
 0.47A 1rnrA-2aniA:
35.7		 1rnrA-2aniA:
25.80
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.
2cb5 PROTEIN (BLEOMYCIN
HYDROLASE)

(Homo sapiens) 		PF03051
(Peptidase_C1_2) 		6 GLU A 256
HIS A 257
LEU A 251
GLU A 252
PHE A 231
ILE A 245
 None
 1.41A 1rnrA-2cb5A:
undetectable		 1rnrA-2cb5A:
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.
2fkz BACTERIOFERRITIN

(Azotobacter
vinelandii) 		PF00210
(Ferritin) 		6 GLU A  51
HIS A  54
LEU A  93
GLU A  94
ILE A 123
GLU A 127
 FE2  A1600 ( 2.5A)
FE2  A1600 (-3.1A)
None
FE2  A1601 (-1.8A)
FE2  A1600 ( 4.8A)
FE2  A1600 ( 2.5A)
 0.85A 1rnrA-2fkzA:
10.2		 1rnrA-2fkzA:
19.88
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.
2inp PHENOL HYDROXYLASE
COMPONENT PHN

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		5 GLU A 138
HIS A 141
GLU A 199
PHE A 207
GLU A 233
 FE  A   3 ( 2.5A)
FE  A   3 (-3.4A)
FE  A   1 (-2.2A)
None
FE  A   1 ( 1.8A)
 1.02A 1rnrA-2inpA:
16.6		 1rnrA-2inpA:
22.18
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.
2itb TRNA-(MS(2)IO(6)A)-H
YDROXYLASE, PUTATIVE

(Pseudomonas
putida) 		PF06175
(MiaE) 		5 GLU A  69
HIS A  72
GLU A 122
PHE A 129
GLU A 151
 FE  A 502 ( 2.5A)
FE  A 501 ( 3.6A)
FE  A 502 ( 2.0A)
None
FE  A 501 (-3.4A)
 1.17A 1rnrA-2itbA:
2.5		 1rnrA-2itbA:
19.20
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.
2lfd DIIRON PROTEIN

(Escherichia
coli) 		no annotation 5 GLU A 104
HIS A 107
GLU A  44
ILE A  70
GLU A  74
 ZN  A 400 ( 2.3A)
ZN  A 400 (-3.1A)
ZN  A 300 (-1.5A)
None
ZN  A 400 ( 2.4A)
 0.75A 1rnrA-2lfdA:
5.2		 1rnrA-2lfdA:
14.25
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.
2o1z RIBONUCLEOTIDE
REDUCTASE SUBUNIT R2

(Plasmodium
vivax) 		PF00268
(Ribonuc_red_sm) 		5 HIS A 132
GLU A 191
PHE A 199
ILE A 221
GLU A 225
 None
FE  A1000 (-3.6A)
None
None
FE  A1000 (-2.4A)
 0.84A 1rnrA-2o1zA:
27.3		 1rnrA-2o1zA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o1z RIBONUCLEOTIDE
REDUCTASE SUBUNIT R2

(Plasmodium
vivax) 		PF00268
(Ribonuc_red_sm) 		5 HIS A 132
SER A 198
PHE A 199
ILE A 221
GLU A 225
 None
None
None
None
FE  A1000 (-2.4A)
 0.83A 1rnrA-2o1zA:
27.3		 1rnrA-2o1zA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p1i RIBONUCLEOTIDE
REDUCTASE, SMALL
CHAIN

(Plasmodium
yoelii) 		PF00268
(Ribonuc_red_sm) 		5 GLU A 130
HIS A 133
GLU A 192
PHE A 200
GLU A 226
 FE  A 350 (-3.1A)
None
FE  A 350 (-2.2A)
None
FE  A 350 (-1.9A)
 0.94A 1rnrA-2p1iA:
26.4		 1rnrA-2p1iA:
23.04
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.
2p1i RIBONUCLEOTIDE
REDUCTASE, SMALL
CHAIN

(Plasmodium
yoelii) 		PF00268
(Ribonuc_red_sm) 		5 HIS A 133
GLU A 192
PHE A 200
ILE A 222
GLU A 226
 None
FE  A 350 (-2.2A)
None
None
FE  A 350 (-1.9A)
 0.57A 1rnrA-2p1iA:
26.4		 1rnrA-2p1iA:
23.04
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.
2qqy SIGMA B OPERON

(Bacillus
anthracis) 		PF00210
(Ferritin) 		5 ASP A  51
GLU A  52
HIS A 130
GLU A  19
GLU A 127
 None
 1.40A 1rnrA-2qqyA:
9.7		 1rnrA-2qqyA:
21.93
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.
2qqy SIGMA B OPERON

(Bacillus
anthracis) 		PF00210
(Ferritin) 		5 ASP A 126
GLU A 127
HIS A  55
GLU A  94
GLU A  52
 None
 1.28A 1rnrA-2qqyA:
9.7		 1rnrA-2qqyA:
21.93
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.
2qqy SIGMA B OPERON

(Bacillus
anthracis) 		PF00210
(Ferritin) 		5 ASP A 126
GLU A 127
HIS A  55
SER A  47
GLU A  52
 None
 1.24A 1rnrA-2qqyA:
9.7		 1rnrA-2qqyA:
21.93
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.
2rcc RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA

(Bacillus
halodurans) 		PF00268
(Ribonuc_red_sm) 		7 GLU A 118
HIS A 121
LEU A 184
GLU A 185
TYR A 190
PHE A 193
ILE A 215
 None
 1.06A 1rnrA-2rccA:
31.1		 1rnrA-2rccA:
25.38
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.
2rcc RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA

(Bacillus
halodurans) 		PF00268
(Ribonuc_red_sm) 		6 HIS A 121
LEU A 184
GLU A 185
PHE A 193
ILE A 215
GLU A 219
 None
 1.31A 1rnrA-2rccA:
31.1		 1rnrA-2rccA:
25.38
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.
2uw1 PLASTID DELTA4
MULTIFUNCTIONAL
ACYL-ACYL CARRIER
PROTEIN DESATURASE

(Hedera helix) 		PF03405
(FA_desaturase_2) 		5 GLU B 138
HIS B 141
GLU B 191
SER B 197
ILE B 220
 FE  B1360 (-2.4A)
FE  B1359 (-3.3A)
FE  B1360 ( 2.0A)
None
None
 0.82A 1rnrA-2uw1B:
14.1		 1rnrA-2uw1B:
22.38
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.
2uw2 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE M2
SUBUNIT

(Homo sapiens) 		PF00268
(Ribonuc_red_sm) 		7 ASP A 138
GLU A 169
HIS A 172
GLU A 232
PHE A 240
ILE A 262
GLU A 266
 None
FE  A1351 (-2.3A)
None
FE  A1351 (-3.4A)
None
None
FE  A1351 (-2.2A)
 0.71A 1rnrA-2uw2A:
30.0		 1rnrA-2uw2A:
24.22
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.
2uw2 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE M2
SUBUNIT

(Homo sapiens) 		PF00268
(Ribonuc_red_sm) 		6 ASP A 138
HIS A 172
SER A 239
PHE A 240
ILE A 262
GLU A 266
 None
None
None
None
None
FE  A1351 (-2.2A)
 0.88A 1rnrA-2uw2A:
30.0		 1rnrA-2uw2A:
24.22
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.
2vzb PUTATIVE
BACTERIOFERRITIN-REL
ATED PROTEIN

(Bacteroides
fragilis) 		PF00210
(Ferritin) 		5 GLU A  62
HIS A  65
GLU A 114
ILE A 142
GLU A 146
 FE  A6205 ( 2.5A)
FE  A6204 (-3.3A)
FE  A6205 (-2.0A)
None
FE  A6204 ( 2.5A)
 0.81A 1rnrA-2vzbA:
7.2		 1rnrA-2vzbA:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wj9 INTERGENIC-REGION
PROTEIN

(Escherichia
coli) 		PF03230
(Antirestrict) 		5 HIS A 146
TYR A  72
PHE A  80
ILE A 113
GLU A 109
 None
 1.26A 1rnrA-2wj9A:
undetectable		 1rnrA-2wj9A:
18.55
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.
2wyr COBALT-ACTIVATED
PEPTIDASE TET1

(Pyrococcus
horikoshii) 		PF05343
(Peptidase_M42) 		5 HIS A 306
LEU A 208
GLU A 204
ILE A  65
GLU A 205
 CO  A1332 (-3.5A)
None
CO  A1333 ( 3.7A)
None
CO  A1332 (-2.1A)
 1.33A 1rnrA-2wyrA:
undetectable		 1rnrA-2wyrA:
23.06
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.
3aty PROSTAGLANDIN F2A
SYNTHASE

(Trypanosoma
cruzi) 		PF00724
(Oxidored_FMN) 		5 HIS A 195
LEU A  27
ARG A  29
PHE A  71
ILE A 105
 FMN  A 500 (-3.6A)
FMN  A 500 (-4.4A)
None
None
None
 1.42A 1rnrA-3atyA:
undetectable		 1rnrA-3atyA:
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.
3bkn BACTERIOFERRITIN

(Mycolicibacterium
smegmatis) 		PF00210
(Ferritin) 		5 GLU A  51
HIS A  54
GLU A  94
ILE A 123
GLU A 127
 ZN  A 201 ( 2.4A)
ZN  A 201 (-3.1A)
ZN  A 202 (-2.2A)
None
ZN  A 201 ( 2.3A)
 0.80A 1rnrA-3bknA:
9.8		 1rnrA-3bknA:
17.76
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.
3cpg UNCHARACTERIZED
PROTEIN

(Bifidobacterium
adolescentis) 		PF01168
(Ala_racemase_N) 		5 LEU A  12
GLU A  82
PHE A 117
ILE A  75
GLU A  77
 None
 1.28A 1rnrA-3cpgA:
undetectable		 1rnrA-3cpgA:
19.74
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.
3ee4 PROBABLE
RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Mycobacterium
tuberculosis) 		PF00268
(Ribonuc_red_sm) 		5 GLU A 101
HIS A 104
GLU A 167
ILE A 198
GLU A 202
 FE  A 317 (-2.5A)
MN3  A 316 (-3.3A)
FE  A 317 ( 3.0A)
None
FE  A 317 ( 2.6A)
 0.70A 1rnrA-3ee4A:
26.5		 1rnrA-3ee4A:
21.85
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.
3fvb BACTERIOFERRITIN

(Brucella
abortus) 		PF00210
(Ferritin) 		5 GLU A  51
HIS A  54
GLU A  94
SER A 100
GLU A 127
 FE  A 164 ( 2.9A)
FE  A 164 (-3.3A)
IMD  A 171 (-3.2A)
None
FE  A 164 ( 2.5A)
 0.93A 1rnrA-3fvbA:
8.0		 1rnrA-3fvbA:
18.59
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.
3hf1 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT M2 B

(Homo sapiens) 		PF00268
(Ribonuc_red_sm) 		6 GLU A 131
HIS A 134
GLU A 194
PHE A 202
ILE A 224
GLU A 228
 FE  A 401 (-2.5A)
None
FE  A 401 (-2.5A)
None
None
FE  A 401 (-2.9A)
 0.74A 1rnrA-3hf1A:
27.7		 1rnrA-3hf1A:
24.81
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.
3hf1 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT M2 B

(Homo sapiens) 		PF00268
(Ribonuc_red_sm) 		5 GLU A 228
HIS A 134
GLU A 194
ILE A 130
GLU A 131
 FE  A 401 (-2.9A)
None
FE  A 401 (-2.5A)
None
FE  A 401 (-2.5A)
 1.38A 1rnrA-3hf1A:
27.7		 1rnrA-3hf1A:
24.81
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.
3hf1 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT M2 B

(Homo sapiens) 		PF00268
(Ribonuc_red_sm) 		5 HIS A 134
SER A 201
PHE A 202
ILE A 224
GLU A 228
 None
None
None
None
FE  A 401 (-2.9A)
 0.78A 1rnrA-3hf1A:
27.7		 1rnrA-3hf1A:
24.81
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.
3mjo RIBONUCLEOTIDE
REDUCTASE SUBUNIT
R2F

(Corynebacterium
ammoniagenes) 		PF00268
(Ribonuc_red_sm) 		8 ASP A  77
GLU A 108
HIS A 111
LEU A 167
GLU A 168
PHE A 176
ILE A 198
GLU A 202
 MN3  A1001 (-2.2A)
MN3  A1002 ( 2.4A)
MN3  A1001 (-3.2A)
None
MN3  A1002 (-2.9A)
None
None
MN3  A1002 (-2.6A)
 0.85A 1rnrA-3mjoA:
31.4		 1rnrA-3mjoA:
25.40
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.
3mjo RIBONUCLEOTIDE
REDUCTASE SUBUNIT
R2F

(Corynebacterium
ammoniagenes) 		PF00268
(Ribonuc_red_sm) 		8 ASP A  77
GLU A 108
HIS A 111
LEU A 167
GLU A 168
TYR A 173
PHE A 176
ILE A 198
 MN3  A1001 (-2.2A)
MN3  A1002 ( 2.4A)
MN3  A1001 (-3.2A)
None
MN3  A1002 (-2.9A)
None
None
None
 0.70A 1rnrA-3mjoA:
31.4		 1rnrA-3mjoA:
25.40
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.
3n3b RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 2
SUBUNIT BETA

(Escherichia
coli) 		no annotation 8 ASP B  67
GLU B  98
HIS B 101
LEU B 157
TYR B 163
PHE B 166
ILE B 188
GLU B 192
 MN  B 320 (-2.8A)
MN  B 321 ( 2.4A)
MN  B 320 (-3.5A)
None
None
None
None
MN  B 321 ( 2.0A)
 0.93A 1rnrA-3n3bB:
30.0		 1rnrA-3n3bB:
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.
3n3b RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 2
SUBUNIT BETA

(Escherichia
coli) 		no annotation 5 GLU B  98
LEU B 157
GLU B 158
TYR B 163
GLU B 192
 MN  B 321 ( 2.4A)
None
MN  B 321 ( 2.6A)
None
MN  B 321 ( 2.0A)
 1.38A 1rnrA-3n3bB:
30.0		 1rnrA-3n3bB:
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.
3n3b RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 2
SUBUNIT BETA

(Escherichia
coli) 		no annotation 5 GLU B 158
HIS B 195
SER B  77
ILE B  94
GLU B  98
 MN  B 321 ( 2.6A)
MN  B 321 (-3.4A)
None
None
MN  B 321 ( 2.4A)
 1.11A 1rnrA-3n3bB:
30.0		 1rnrA-3n3bB:
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.
3n3b RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 2
SUBUNIT BETA

(Escherichia
coli) 		no annotation 5 GLU B 192
HIS B 195
SER B  77
ILE B  94
GLU B  98
 MN  B 321 ( 2.0A)
MN  B 321 (-3.4A)
None
None
MN  B 321 ( 2.4A)
 0.78A 1rnrA-3n3bB:
30.0		 1rnrA-3n3bB:
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.
3n3b RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 2
SUBUNIT BETA

(Escherichia
coli) 		no annotation 5 GLU B 192
LEU B 157
SER B  77
ILE B  94
GLU B  98
 MN  B 321 ( 2.0A)
None
None
None
MN  B 321 ( 2.4A)
 1.33A 1rnrA-3n3bB:
30.0		 1rnrA-3n3bB:
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.
3qhb SYMERYTHRIN

(Cyanophora
paradoxa) 		PF02915
(Rubrerythrin) 		5 GLU A  71
HIS A  74
GLU A 128
ILE A 158
GLU A 162
 FE  A 182 ( 2.5A)
None
FE  A 182 (-1.9A)
None
FE  A 182 ( 2.6A)
 0.92A 1rnrA-3qhbA:
9.6		 1rnrA-3qhbA:
19.46
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.
3qhb SYMERYTHRIN

(Cyanophora
paradoxa) 		PF02915
(Rubrerythrin) 		5 GLU A 162
HIS A 165
GLU A  37
ILE A  67
GLU A  71
 FE  A 182 ( 2.6A)
FE  A 182 (-3.3A)
FE  A 181 (-2.4A)
None
FE  A 182 ( 2.5A)
 0.81A 1rnrA-3qhbA:
9.6		 1rnrA-3qhbA:
19.46
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.
3se7 VANA

(-) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 GLU A 101
HIS A  96
SER A 250
ILE A  16
GLU A  13
 None
None
ATP  A 400 (-3.9A)
None
None
 1.49A 1rnrA-3se7A:
undetectable		 1rnrA-3se7A:
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.
3vpo RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT M2

(Homo sapiens) 		PF00268
(Ribonuc_red_sm) 		7 ASP A 138
GLU A 169
HIS A 172
GLU A 232
PHE A 240
ILE A 262
GLU A 266
 None
FE  A 402 (-2.6A)
None
FE  A 402 (-2.8A)
None
None
FE  A 402 (-1.8A)
 0.50A 1rnrA-3vpoA:
31.1		 1rnrA-3vpoA:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vpo RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT M2

(Homo sapiens) 		PF00268
(Ribonuc_red_sm) 		7 ASP A 138
HIS A 172
GLU A 232
SER A 239
PHE A 240
ILE A 262
GLU A 266
 None
None
FE  A 402 (-2.8A)
None
None
None
FE  A 402 (-1.8A)
 0.77A 1rnrA-3vpoA:
31.1		 1rnrA-3vpoA:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vva ALTERNATIVE OXIDASE,
MITOCHONDRIAL

(Trypanosoma
brucei) 		PF01786
(AOX) 		6 GLU A 162
HIS A 165
LEU A 212
GLU A 213
ILE A 262
GLU A 266
 FE  A 501 (-2.4A)
FE  A 501 (-3.3A)
CHW  A 504 (-4.1A)
FE  A 502 (-2.1A)
None
OH  A 503 (-2.3A)
 0.95A 1rnrA-3vvaA:
8.1		 1rnrA-3vvaA:
21.61
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.
4bmr RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA

(Bacillus cereus) 		PF00268
(Ribonuc_red_sm) 		9 ASP A  62
GLU A  93
HIS A  96
LEU A 160
GLU A 161
TYR A 166
PHE A 169
ILE A 191
GLU A 195
 FE2  A1323 (-2.4A)
FE2  A1323 (-3.1A)
FE2  A1323 (-3.8A)
None
None
None
None
None
FE2  A1323 (-2.8A)
 0.85A 1rnrA-4bmrA:
31.5		 1rnrA-4bmrA:
27.37
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.
4djn RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT M2 B

(Homo sapiens) 		PF00268
(Ribonuc_red_sm) 		7 ASP A 100
GLU A 131
HIS A 134
GLU A 194
PHE A 202
ILE A 224
GLU A 228
 None
 0.58A 1rnrA-4djnA:
31.4		 1rnrA-4djnA:
24.74
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.
4djn RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT M2 B

(Homo sapiens) 		PF00268
(Ribonuc_red_sm) 		6 ASP A 100
HIS A 134
SER A 201
PHE A 202
ILE A 224
GLU A 228
 None
 0.95A 1rnrA-4djnA:
31.4		 1rnrA-4djnA:
24.74
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.
4dr0 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA

(Bacillus
subtilis) 		PF00268
(Ribonuc_red_sm) 		9 ASP A  66
GLU A  97
HIS A 101
LEU A 163
GLU A 164
TYR A 169
PHE A 172
ILE A 194
GLU A 198
 MN  A 402 (-2.3A)
MN  A 401 ( 2.3A)
MN  A 402 (-3.2A)
None
MN  A 401 (-1.7A)
None
None
None
MN  A 402 ( 2.1A)
 0.86A 1rnrA-4dr0A:
30.5		 1rnrA-4dr0A:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dyx FERRITIN HEAVY CHAIN

(Homo sapiens) 		PF00210
(Ferritin) 		5 GLU A  62
HIS A  65
LEU A 106
GLU A 107
SER A 113
 CU  A 204 ( 2.3A)
CU  A 203 (-3.2A)
None
CU  A 204 (-1.9A)
None
 1.22A 1rnrA-4dyxA:
9.1		 1rnrA-4dyxA:
20.44
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.
4g1p CYS-GLY
METALLODIPEPTIDASE
DUG1

(Saccharomyces
cerevisiae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ASP A 137
GLU A 172
TYR A 100
SER A 199
GLU A 171
 ZN  A 501 (-2.3A)
ZN  A 501 ( 2.0A)
None
None
GLY  A 503 (-3.2A)
 1.41A 1rnrA-4g1pA:
undetectable		 1rnrA-4g1pA:
22.62
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.
4mud RING OXYDATION
COMPLEX/
PHENYLACETIC ACID
DEGRADATION RELATED
PROTEIN

(Sulfolobus
solfataricus) 		PF05138
(PaaA_PaaC) 		5 ASP A 113
GLU A 142
GLU A  29
SER A  95
GLU A  59
 None
 1.37A 1rnrA-4mudA:
15.6		 1rnrA-4mudA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mud RING OXYDATION
COMPLEX/
PHENYLACETIC ACID
DEGRADATION RELATED
PROTEIN

(Sulfolobus
solfataricus) 		PF05138
(PaaA_PaaC) 		5 ASP A 113
GLU A 142
HIS A 145
GLU A  29
GLU A  59
 None
 0.84A 1rnrA-4mudA:
15.6		 1rnrA-4mudA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n83 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA

(Streptococcus
sanguinis) 		PF00268
(Ribonuc_red_sm) 		8 ASP A  66
GLU A  97
HIS A 100
LEU A 156
TYR A 162
PHE A 165
ILE A 187
GLU A 191
 MN  A 402 (-2.8A)
MN  A 402 ( 2.8A)
MN  A 402 (-4.0A)
None
None
None
None
MN  A 401 ( 2.7A)
 0.94A 1rnrA-4n83A:
29.9		 1rnrA-4n83A:
26.56
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.
4n83 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA

(Streptococcus
sanguinis) 		PF00268
(Ribonuc_red_sm) 		8 GLU A  97
HIS A 100
LEU A 156
GLU A 157
TYR A 162
PHE A 165
ILE A 187
GLU A 191
 MN  A 402 ( 2.8A)
MN  A 402 (-4.0A)
None
MN  A 401 ( 2.5A)
None
None
None
MN  A 401 ( 2.7A)
 1.09A 1rnrA-4n83A:
29.9		 1rnrA-4n83A:
26.56
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.
4n83 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA

(Streptococcus
sanguinis) 		PF00268
(Ribonuc_red_sm) 		5 GLU A 157
TYR A 162
SER A 163
PHE A 165
ILE A 184
 MN  A 401 ( 2.5A)
None
None
None
None
 1.49A 1rnrA-4n83A:
29.9		 1rnrA-4n83A:
26.56
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.
4n83 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA

(Streptococcus
sanguinis) 		PF00268
(Ribonuc_red_sm) 		5 LEU A 156
GLU A 157
TYR A 162
SER A 163
PHE A 165
 None
MN  A 401 ( 2.5A)
None
None
None
 1.02A 1rnrA-4n83A:
29.9		 1rnrA-4n83A:
26.56
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.
4p1c TOLUENE-4-MONOOXYGEN
ASE SYSTEM PROTEIN A

(Pseudomonas
mendocina) 		PF02332
(Phenol_Hydrox) 		6 GLU A 134
HIS A 137
LEU A 192
GLU A 197
ILE A 227
GLU A 231
 FE  A 501 (-2.5A)
FE  A 501 (-3.2A)
None
FE  A 502 ( 2.6A)
None
FE  A 502 (-2.3A)
 1.43A 1rnrA-4p1cA:
15.3		 1rnrA-4p1cA:
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.
4p6y AMINOPEPTIDASE

(Thermotoga
maritima) 		PF05343
(Peptidase_M42) 		5 HIS A 307
LEU A 201
GLU A 197
ILE A  64
GLU A 198
 None
 1.41A 1rnrA-4p6yA:
undetectable		 1rnrA-4p6yA:
23.87
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.
4r42 ALR3090 PROTEIN

(Nostoc sp. PCC
7120) 		PF05067
(Mn_catalase) 		5 GLU A 163
HIS A 166
GLU A  35
ILE A  61
GLU A  65
 MN  A 301 ( 2.2A)
MN  A 302 (-3.4A)
MN  A 301 (-2.0A)
None
MN  A 302 ( 2.5A)
 0.94A 1rnrA-4r42A:
9.4		 1rnrA-4r42A:
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.
4r42 ALR3090 PROTEIN

(Nostoc sp. PCC
7120) 		PF05067
(Mn_catalase) 		5 LEU A 159
GLU A  35
SER A 165
ILE A  61
GLU A  65
 None
MN  A 301 (-2.0A)
None
None
MN  A 302 ( 2.5A)
 1.39A 1rnrA-4r42A:
9.4		 1rnrA-4r42A:
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.
4rc6 ALDEHYDE
DECARBONYLASE

(Synechococcus
elongatus) 		PF11266
(Ald_deCOase) 		5 GLU B 115
LEU B  56
GLU B  60
ILE B 119
GLU B 144
 FE2  B 301 (-2.0A)
None
FE2  B 301 ( 2.3A)
None
FE2  B 302 ( 2.4A)
 1.42A 1rnrA-4rc6B:
15.9		 1rnrA-4rc6B:
21.73
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.
4toc BACTERIOFERRITIN

(Pseudomonas
aeruginosa) 		PF00210
(Ferritin) 		6 GLU A  51
HIS A  54
LEU A  93
GLU A  94
ILE A 123
GLU A 127
 FE2  A 203 ( 2.2A)
FE2  A 203 (-3.6A)
None
FE2  A 205 (-2.5A)
None
FE2  A 203 ( 2.5A)
 0.91A 1rnrA-4tocA:
8.5		 1rnrA-4tocA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u3g BACTERIOFERRITIN

(Escherichia
coli) 		PF00210
(Ferritin) 		6 GLU A  51
HIS A  54
LEU A  93
GLU A  94
ILE A 123
GLU A 127
 None
 0.86A 1rnrA-4u3gA:
10.2		 1rnrA-4u3gA:
18.48
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.
4v0j ACYL-[ACYL-CARRIER-P
ROTEIN] DESATURASE,
CHLOROPLASTIC

(Ricinus
communis) 		PF03405
(FA_desaturase_2) 		5 GLU A 143
HIS A 146
GLU A 196
ILE A 225
GLU A 229
 FE2  A 365 ( 2.4A)
FE2  A 364 (-3.3A)
FE2  A 365 (-2.0A)
None
FE2  A 364 ( 2.3A)
 0.75A 1rnrA-4v0jA:
14.6		 1rnrA-4v0jA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wwv AMINOPEPTIDASE FROM
FAMILY M42

(Desulfurococcus
amylolyticus) 		PF05343
(Peptidase_M42) 		5 HIS A 329
LEU A 218
GLU A 214
ILE A  74
GLU A 215
 None
 1.32A 1rnrA-4wwvA:
undetectable		 1rnrA-4wwvA:
21.03
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.
4zbz URACIL-DNA
GLYCOSYLASE

(Sulfurisphaera
tokodaii) 		PF03167
(UDG) 		5 GLU A  42
HIS A 124
ARG A 144
SER A 139
PHE A 137
 None
 1.48A 1rnrA-4zbzA:
undetectable		 1rnrA-4zbzA:
16.76
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.
5h6j PIERISIN-1

(Pieris rapae) 		no annotation 5 GLU A 182
ARG A 181
TYR A 140
SER A 179
PHE A  80
 None
 1.46A 1rnrA-5h6jA:
undetectable		 1rnrA-5h6jA:
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.
5olk RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT 1

(Leeuwenhoekiella
blandensis) 		no annotation 5 GLU A 200
HIS A 203
GLU A 263
PHE A 271
GLU A 298
 MN  A1005 ( 2.1A)
MN  A1005 (-3.6A)
MN  A1004 (-2.1A)
None
MN  A1004 ( 2.4A)
 0.84A 1rnrA-5olkA:
31.1		 1rnrA-5olkA:
12.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uxg ALDEHYDE
DEFORMYLATING
OXYGENASE

(Sulfurisphaera
tokodaii) 		no annotation 5 GLU A  57
HIS A  60
GLU A 111
ILE A 141
GLU A 145
 None
 0.60A 1rnrA-5uxgA:
15.6		 1rnrA-5uxgA:
13.60
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.
5vjt REACTION CENTER
MAQUETTE

(synthetic
construct) 		no annotation 5 GLU A  64
HIS A  67
GLU A 161
ILE A 131
GLU A 135
 ZN  A 202 (-2.3A)
ZN  A 202 (-3.0A)
None
None
ZN  A 202 (-2.3A)
 0.90A 1rnrA-5vjtA:
3.2		 1rnrA-5vjtA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vjt REACTION CENTER
MAQUETTE

(synthetic
construct) 		no annotation 5 GLU A  64
HIS A 138
LEU A  71
GLU A  34
GLU A 135
 ZN  A 202 (-2.3A)
ZN  A 201 ( 3.0A)
None
ZN  A 202 (-2.1A)
ZN  A 202 (-2.3A)
 1.50A 1rnrA-5vjtA:
3.2		 1rnrA-5vjtA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vjt REACTION CENTER
MAQUETTE

(synthetic
construct) 		no annotation 5 GLU A 135
HIS A 138
GLU A  34
ILE A  60
GLU A  64
 ZN  A 202 (-2.3A)
ZN  A 201 ( 3.0A)
ZN  A 202 (-2.1A)
None
ZN  A 202 (-2.3A)
 0.96A 1rnrA-5vjtA:
3.2		 1rnrA-5vjtA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xx9 BACTERIOFERRITIN

(Streptomyces
coelicolor) 		no annotation 5 GLU A  51
HIS A  54
GLU A  94
ILE A 123
GLU A 127
 FE2  A 201 (-2.0A)
FE2  A 201 (-3.4A)
FE2  A 201 ( 4.8A)
None
FE2  A 201 (-2.2A)
 0.88A 1rnrA-5xx9A:
9.8		 1rnrA-5xx9A:
11.02
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.
6cwo RIBONUCLEOTIDE
REDUCTASE

(Flavobacterium
johnsoniae) 		no annotation 5 GLU A  97
HIS A 100
GLU A 160
PHE A 168
GLU A 195
 MN  A 401 ( 2.6A)
MN  A 401 (-3.5A)
MN  A 402 (-2.5A)
None
MN  A 402 ( 2.1A)
 0.80A 1rnrA-6cwoA:
31.0		 1rnrA-6cwoA:
11.98
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.
6cwp RIBONUCLEOTIDE
REDUCTASE

(Flavobacterium
johnsoniae) 		no annotation 5 GLU A  97
HIS A 100
GLU A 160
PHE A 168
GLU A 195
 MN  A 402 ( 2.4A)
MN  A 401 (-3.3A)
MN  A 402 (-2.4A)
None
MN  A 402 ( 1.9A)
 0.77A 1rnrA-6cwpA:
31.3		 1rnrA-6cwpA:
11.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d6q EXOSOME COMPLEX
COMPONENT RRP4

(Homo sapiens) 		no annotation 5 HIS H 266
GLU H 283
SER H 243
ILE H 276
GLU H 279
 None
 0.89A 1rnrA-6d6qH:
undetectable		 1rnrA-6d6qH:
12.47