SIMILAR PATTERNS OF AMINO ACIDS FOR 1RNR_B_DAHB208_1

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.
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
 0.70A 1rnrB-1h0nA:
31.3		 1rnrB-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) 		5 ASP A 139
GLU A 170
HIS A 173
TYR A 177
ILE A 263
 CO  A1353 (-1.8A)
CO  A1354 ( 2.5A)
CO  A1353 (-3.2A)
None
None
 0.68A 1rnrB-1h0nA:
31.3		 1rnrB-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)
 0.50A 1rnrB-1h0nA:
31.3		 1rnrB-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
TYR A 177
GLU A 233
ILE A 263
GLU A 267
 CO  A1354 ( 2.5A)
CO  A1353 (-3.2A)
None
CO  A1354 (-1.7A)
None
CO  A1354 ( 2.3A)
 0.69A 1rnrB-1h0nA:
31.3		 1rnrB-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)
 0.76A 1rnrB-1kgpA:
31.3		 1rnrB-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) 		9 ASP A  77
GLU A 108
HIS A 111
TYR A 115
LEU A 167
GLU A 168
TYR A 173
ILE A 198
GLU A 202
 MN  A1001 (-2.7A)
MN  A1001 ( 2.3A)
MN  A1001 (-3.2A)
None
None
MN  A1002 (-1.8A)
None
None
MN  A1001 ( 2.2A)
 0.86A 1rnrB-1kgpA:
31.3		 1rnrB-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.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox) 		6 GLU D 144
HIS D 147
LEU D 204
GLU D 209
ILE D 239
GLU D 243
 FE  D   4 (-2.4A)
FE  D   4 ( 3.2A)
None
FE  D   3 ( 2.8A)
None
FE  D   3 ( 2.5A)
 1.49A 1rnrB-1mtyD:
18.2		 1rnrB-1mtyD:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1rnrB-1nf6A:
10.1		 1rnrB-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) 		6 GLU A 132
HIS A 135
TYR A 139
GLU A  23
ILE A  52
GLU A  56
 FE  A 200 (-2.4A)
FE  A 200 (-3.2A)
None
None
None
FE  A 200 (-2.2A)
 0.88A 1rnrB-1nf6A:
10.1		 1rnrB-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) 		11 GLU A 115
HIS A 118
TYR A 122
LEU A 203
GLU A 204
ARG A 207
TYR A 209
SER A 211
PHE A 212
ILE A 234
GLU A 238
 MN  A 502 ( 2.3A)
MN  A 501 (-3.1A)
None
None
MN  A 502 (-2.2A)
None
None
None
None
None
MN  A 502 ( 2.5A)
 0.50A 1rnrB-1pm2A:
53.0		 1rnrB-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) 		5 GLU A 238
HIS A 241
LEU A  83
GLU A  84
GLU A 115
 MN  A 502 ( 2.5A)
MN  A 502 (-3.1A)
None
MN  A 501 (-1.9A)
MN  A 502 ( 2.3A)
 0.92A 1rnrB-1pm2A:
53.0		 1rnrB-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) 		5 GLU A 238
LEU A  83
GLU A  84
SER A  90
GLU A 115
 MN  A 502 ( 2.5A)
None
MN  A 501 (-1.9A)
None
MN  A 502 ( 2.3A)
 1.37A 1rnrB-1pm2A:
53.0		 1rnrB-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) 		10 ASP A  67
GLU A  98
HIS A 101
TYR A 105
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
None
FE  A 401 (-1.7A)
None
None
None
FE  A 400 ( 2.1A)
 0.94A 1rnrB-1r2fA:
30.7		 1rnrB-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)
 0.83A 1rnrB-1rytA:
9.6		 1rnrB-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) 		6 GLU A 176
HIS A 179
GLU A 239
PHE A 247
ILE A 269
GLU A 273
 None
 0.73A 1rnrB-1smqA:
26.6		 1rnrB-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.
1smq RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SMALL CHAIN 1

(Saccharomyces
cerevisiae) 		PF00268
(Ribonuc_red_sm) 		6 GLU A 176
HIS A 179
TYR A 183
GLU A 239
ILE A 269
GLU A 273
 None
 0.80A 1rnrB-1smqA:
26.6		 1rnrB-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) 		10 ASP A  72
GLU A 103
HIS A 106
TYR A 110
LEU A 162
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)
None
None
FE  A1293 (-2.0A)
None
None
None
FE  A1292 ( 2.1A)
 0.85A 1rnrB-1uzrA:
31.4		 1rnrB-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
 0.95A 1rnrB-1vjxA:
9.9		 1rnrB-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)
 1.34A 1rnrB-1y0yA:
undetectable		 1rnrB-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.
1yuz NIGERYTHRIN

(Desulfovibrio
vulgaris) 		PF02915
(Rubrerythrin) 		5 GLU A 149
HIS A 152
TYR A 156
GLU A  40
GLU A  73
 FE  A 301 ( 2.5A)
FE2  A 302 (-3.3A)
None
FE  A 301 (-1.9A)
FE2  A 302 ( 2.4A)
 0.89A 1rnrB-1yuzA:
7.7		 1rnrB-1yuzA:
19.14
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.
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)
 0.82A 1rnrB-1za0A:
13.7		 1rnrB-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) 		8 GLU A 120
HIS A 123
TYR A 127
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)
None
FE  A 347 (-2.7A)
None
None
None
FE  A 347 ( 2.1A)
 0.36A 1rnrB-2aniA:
36.1		 1rnrB-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.
2ani RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA SUBUNIT

(Chlamydia
trachomatis) 		PF00268
(Ribonuc_red_sm) 		5 GLU A 227
HIS A 230
TYR A 189
GLU A  89
GLU A 120
 FE  A 347 ( 2.1A)
FE  A 347 (-3.3A)
None
FE  A 348 (-2.2A)
FE  A 347 ( 2.4A)
 0.98A 1rnrB-2aniA:
36.1		 1rnrB-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) 		5 GLU A 256
HIS A 257
LEU A 251
GLU A 252
PHE A 231
 None
 1.37A 1rnrB-2cb5A:
undetectable		 1rnrB-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.
2cwl MANGANESE-FREE
PSEUDOCATALASE

(Thermus
thermophilus) 		PF05067
(Mn_catalase) 		5 HIS A 188
TYR A 192
GLU A  36
ILE A  66
GLU A  70
 None
 1.02A 1rnrB-2cwlA:
8.6		 1rnrB-2cwlA:
23.26
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.
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)
 0.89A 1rnrB-2fkzA:
10.1		 1rnrB-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.
2inc TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		5 GLU A 134
HIS A 137
GLU A 197
PHE A 205
ILE A 227
 FE  A 502 ( 2.5A)
FE  A 501 (-3.3A)
FE  A 502 (-2.7A)
P6G  A 503 (-4.9A)
None
 1.12A 1rnrB-2incA:
15.1		 1rnrB-2incA:
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.
2inc TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		5 GLU A 134
HIS A 137
LEU A 192
GLU A 197
GLU A 231
 FE  A 502 ( 2.5A)
FE  A 501 (-3.3A)
None
FE  A 502 (-2.7A)
FE  A 502 (-2.6A)
 1.40A 1rnrB-2incA:
15.1		 1rnrB-2incA:
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.
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 1rnrB-2inpA:
16.4		 1rnrB-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)
 1.21A 1rnrB-2itbA:
2.5		 1rnrB-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.
2itb TRNA-(MS(2)IO(6)A)-H
YDROXYLASE, PUTATIVE

(Pseudomonas
putida) 		PF06175
(MiaE) 		5 GLU A 151
HIS A 154
TYR A 158
GLU A  38
GLU A  69
 FE  A 501 (-3.4A)
FE  A 502 ( 3.2A)
EDO  A 510 (-4.4A)
FE  A 501 (-2.6A)
FE  A 502 ( 2.5A)
 0.96A 1rnrB-2itbA:
2.5		 1rnrB-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 ASP A 103
GLU A 104
HIS A  77
GLU A  11
GLU A  74
 None
ZN  A 400 ( 2.3A)
ZN  A 300 (-3.3A)
ZN  A 400 (-1.9A)
ZN  A 400 ( 2.4A)
 1.31A 1rnrB-2lfdA:
5.1		 1rnrB-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.
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)
 0.78A 1rnrB-2lfdA:
5.1		 1rnrB-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.
2nq9 ENDONUCLEASE 4

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		5 ASP A 179
GLU A 145
HIS A 216
ARG A 230
GLU A 261
 ZN  A 402 (-3.2A)
ZN  A 401 ( 2.3A)
ZN  A 402 (-3.1A)
None
ZN  A 402 (-2.5A)
 1.36A 1rnrB-2nq9A:
undetectable		 1rnrB-2nq9A:
20.52
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.
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)
 0.75A 1rnrB-2o1zA:
27.3		 1rnrB-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
TYR A 136
GLU A 191
ILE A 221
GLU A 225
 None
None
FE  A1000 (-3.6A)
None
FE  A1000 (-2.4A)
 0.77A 1rnrB-2o1zA:
27.3		 1rnrB-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) 		6 GLU A 130
HIS A 133
GLU A 192
PHE A 200
ILE A 222
GLU A 226
 FE  A 350 (-3.1A)
None
FE  A 350 (-2.2A)
None
None
FE  A 350 (-1.9A)
 0.86A 1rnrB-2p1iA:
26.4		 1rnrB-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) 		6 HIS A 133
TYR A 137
GLU A 192
PHE A 200
ILE A 222
GLU A 226
 None
None
FE  A 350 (-2.2A)
None
None
FE  A 350 (-1.9A)
 0.80A 1rnrB-2p1iA:
26.4		 1rnrB-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 126
GLU A 127
HIS A  55
GLU A  94
GLU A  52
 None
 1.37A 1rnrB-2qqyA:
9.6		 1rnrB-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) 		6 GLU A 118
HIS A 121
GLU A 185
TYR A 190
PHE A 193
ILE A 215
 None
 0.91A 1rnrB-2rccA:
31.4		 1rnrB-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) 		5 GLU A 118
HIS A 121
TYR A 125
GLU A 185
ILE A 215
 None
 0.59A 1rnrB-2rccA:
31.4		 1rnrB-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) 		5 GLU A 118
LEU A 184
TYR A 190
PHE A 193
ILE A 215
 None
 1.00A 1rnrB-2rccA:
31.4		 1rnrB-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) 		5 HIS A 121
GLU A 185
PHE A 193
ILE A 215
GLU A 219
 None
 1.25A 1rnrB-2rccA:
31.4		 1rnrB-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) 		5 HIS A 121
TYR A 125
GLU A 185
ILE A 215
GLU A 219
 None
 1.19A 1rnrB-2rccA:
31.4		 1rnrB-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.
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)
 0.58A 1rnrB-2uw2A:
30.0		 1rnrB-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) 		7 ASP A 138
GLU A 169
HIS A 172
TYR A 176
GLU A 232
ILE A 262
GLU A 266
 None
FE  A1351 (-2.3A)
None
None
FE  A1351 (-3.4A)
None
FE  A1351 (-2.2A)
 0.74A 1rnrB-2uw2A:
30.0		 1rnrB-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)
 0.82A 1rnrB-2vzbA:
6.0		 1rnrB-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.
3aal PROBABLE
ENDONUCLEASE 4

(Geobacillus
kaustophilus) 		PF01261
(AP_endonuc_2) 		5 ASP A 179
GLU A 145
HIS A 214
ARG A 228
GLU A 259
 FE  A 302 ( 3.2A)
FE  A 301 (-2.6A)
FE  A 302 (-3.4A)
None
FE  A 302 ( 2.4A)
 1.39A 1rnrB-3aalA:
undetectable		 1rnrB-3aalA:
20.57
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.
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)
 0.79A 1rnrB-3bknA:
9.8		 1rnrB-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.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 ASP A 222
GLU A 220
LEU A 162
SER A 165
ILE A 282
 None
MTA  A 401 (-2.5A)
None
None
MTA  A 401 (-3.6A)
 1.21A 1rnrB-3c6mA:
undetectable		 1rnrB-3c6mA:
19.55
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.
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
 1.31A 1rnrB-3cpgA:
undetectable		 1rnrB-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)
 0.68A 1rnrB-3ee4A:
26.3		 1rnrB-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)
 0.98A 1rnrB-3fvbA:
9.0		 1rnrB-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)
 0.72A 1rnrB-3hf1A:
27.7		 1rnrB-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) 		6 GLU A 131
HIS A 134
TYR A 138
GLU A 194
ILE A 224
GLU A 228
 FE  A 401 (-2.5A)
None
None
FE  A 401 (-2.5A)
None
FE  A 401 (-2.9A)
 0.77A 1rnrB-3hf1A:
27.7		 1rnrB-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)
 0.79A 1rnrB-3mjoA:
31.8		 1rnrB-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
 0.64A 1rnrB-3mjoA:
31.8		 1rnrB-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 GLU A 108
HIS A 111
TYR A 115
LEU A 167
GLU A 168
PHE A 176
ILE A 198
GLU A 202
 MN3  A1002 ( 2.4A)
MN3  A1001 (-3.2A)
None
None
MN3  A1002 (-2.9A)
None
None
MN3  A1002 (-2.6A)
 0.81A 1rnrB-3mjoA:
31.8		 1rnrB-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 GLU A 108
HIS A 111
TYR A 115
LEU A 167
GLU A 168
TYR A 173
PHE A 176
ILE A 198
 MN3  A1002 ( 2.4A)
MN3  A1001 (-3.2A)
None
None
MN3  A1002 (-2.9A)
None
None
None
 0.64A 1rnrB-3mjoA:
31.8		 1rnrB-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)
 0.77A 1rnrB-3n3bB:
30.2		 1rnrB-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 8 ASP B  67
GLU B  98
HIS B 101
TYR B 105
LEU B 157
TYR B 163
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)
 0.75A 1rnrB-3n3bB:
30.2		 1rnrB-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 6 GLU B  98
HIS B 101
LEU B 157
GLU B 158
TYR B 163
GLU B 192
 MN  B 321 ( 2.4A)
MN  B 320 (-3.5A)
None
MN  B 321 ( 2.6A)
None
MN  B 321 ( 2.0A)
 1.13A 1rnrB-3n3bB:
30.2		 1rnrB-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)
 0.90A 1rnrB-3qhbA:
9.6		 1rnrB-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)
 0.82A 1rnrB-3qhbA:
9.6		 1rnrB-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.
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)
 0.43A 1rnrB-3vpoA:
31.1		 1rnrB-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
GLU A 169
HIS A 172
TYR A 176
GLU A 232
ILE A 262
GLU A 266
 None
FE  A 402 (-2.6A)
None
None
FE  A 402 (-2.8A)
None
FE  A 402 (-1.8A)
 0.67A 1rnrB-3vpoA:
31.1		 1rnrB-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) 		5 GLU A 162
HIS A 165
GLU A 213
ILE A 262
GLU A 266
 FE  A 501 (-2.4A)
FE  A 501 (-3.3A)
FE  A 502 (-2.1A)
None
OH  A 503 (-2.3A)
 0.80A 1rnrB-3vvaA:
6.6		 1rnrB-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.
3vva ALTERNATIVE OXIDASE,
MITOCHONDRIAL

(Trypanosoma
brucei) 		PF01786
(AOX) 		5 GLU A 162
HIS A 165
LEU A 212
GLU A 213
GLU A 266
 FE  A 501 (-2.4A)
FE  A 501 (-3.3A)
CHW  A 504 (-4.1A)
FE  A 502 (-2.1A)
OH  A 503 (-2.3A)
 0.92A 1rnrB-3vvaA:
6.6		 1rnrB-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)
 0.74A 1rnrB-4bmrA:
31.9		 1rnrB-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.
4bmr RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA

(Bacillus cereus) 		PF00268
(Ribonuc_red_sm) 		9 ASP A  62
GLU A  93
HIS A  96
TYR A 100
LEU A 160
GLU A 161
TYR A 166
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)
 0.81A 1rnrB-4bmrA:
31.9		 1rnrB-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
 0.49A 1rnrB-4djnA:
31.4		 1rnrB-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) 		7 ASP A 100
GLU A 131
HIS A 134
TYR A 138
GLU A 194
ILE A 224
GLU A 228
 None
 0.58A 1rnrB-4djnA:
31.4		 1rnrB-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) 		10 ASP A  66
GLU A  97
HIS A 101
TYR A 105
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
None
MN  A 401 (-1.7A)
None
None
None
MN  A 402 ( 2.1A)
 0.84A 1rnrB-4dr0A:
30.8		 1rnrB-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.
4ell RETINOBLASTOMA-ASSOC
IATED PROTEIN

(Homo sapiens) 		PF01857
(RB_B)
PF01858
(RB_A) 		5 TYR A 651
LEU A 694
GLU A 693
PHE A 570
ILE A 573
 None
 1.38A 1rnrB-4ellA:
undetectable		 1rnrB-4ellA:
21.25
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.
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
 0.74A 1rnrB-4mudA:
15.2		 1rnrB-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) 		9 ASP A  66
GLU A  97
HIS A 100
TYR A 104
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
None
MN  A 401 ( 2.7A)
 0.85A 1rnrB-4n83A:
30.2		 1rnrB-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)
 0.95A 1rnrB-4n83A:
30.2		 1rnrB-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 191
HIS A 194
LEU A 156
ILE A  93
GLU A  97
 MN  A 401 ( 2.7A)
MN  A 401 (-3.7A)
None
None
MN  A 402 ( 2.8A)
 1.10A 1rnrB-4n83A:
30.2		 1rnrB-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
GLU A 197
PHE A 205
ILE A 227
GLU A 231
 FE  A 501 (-2.5A)
FE  A 501 (-3.2A)
FE  A 502 ( 2.6A)
None
None
FE  A 502 (-2.3A)
 1.45A 1rnrB-4p1cA:
15.1		 1rnrB-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.
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)
 0.90A 1rnrB-4r42A:
6.9		 1rnrB-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.
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)
 0.95A 1rnrB-4tocA:
8.4		 1rnrB-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) 		7 GLU A  51
HIS A  54
TYR A  58
LEU A  93
GLU A  94
ILE A 123
GLU A 127
 None
 0.92A 1rnrB-4u3gA:
10.2		 1rnrB-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)
 0.77A 1rnrB-4v0jA:
14.5		 1rnrB-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.
4v0j ACYL-[ACYL-CARRIER-P
ROTEIN] DESATURASE,
CHLOROPLASTIC

(Ricinus
communis) 		PF03405
(FA_desaturase_2) 		5 GLU A 229
HIS A 232
TYR A 236
GLU A 105
GLU A 143
 FE2  A 364 ( 2.3A)
FE2  A 365 (-3.8A)
None
FE2  A 364 (-2.0A)
FE2  A 365 ( 2.4A)
 0.90A 1rnrB-4v0jA:
14.5		 1rnrB-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
 1.29A 1rnrB-4wwvA:
undetectable		 1rnrB-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.
4x8i LYSYL AMINOPEPTIDASE

(Pyrococcus
furiosus) 		PF05343
(Peptidase_M42) 		5 HIS A 314
GLU A 207
ARG A 212
ILE A  67
GLU A 208
 CO  A 402 (-3.5A)
CL  A 403 ( 2.8A)
None
None
CO  A 402 (-1.8A)
 1.32A 1rnrB-4x8iA:
undetectable		 1rnrB-4x8iA:
22.90
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.
4x8i LYSYL AMINOPEPTIDASE

(Pyrococcus
furiosus) 		PF05343
(Peptidase_M42) 		5 HIS A 314
LEU A 211
GLU A 207
ILE A  67
GLU A 208
 CO  A 402 (-3.5A)
None
CL  A 403 ( 2.8A)
None
CO  A 402 (-1.8A)
 1.33A 1rnrB-4x8iA:
undetectable		 1rnrB-4x8iA:
22.90
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.
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)
 0.89A 1rnrB-5olkA:
31.4		 1rnrB-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.
5olk RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT 1

(Leeuwenhoekiella
blandensis) 		no annotation 5 GLU A 200
HIS A 203
TYR A 207
GLU A 263
GLU A 298
 MN  A1005 ( 2.1A)
MN  A1005 (-3.6A)
None
MN  A1004 (-2.1A)
MN  A1004 ( 2.4A)
 0.97A 1rnrB-5olkA:
31.4		 1rnrB-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.
5ux1 TRNA-(MS(2)IO(6)A)-H
YDROXYLASE-LIKE

(Synechococcus
sp. CC9605) 		no annotation 5 GLU A 167
HIS A 170
TYR A 174
GLU A  53
GLU A  84
 FE  A 301 ( 2.5A)
FE  A 301 (-3.3A)
None
FE  A 302 (-2.2A)
FE  A 301 ( 2.2A)
 0.94A 1rnrB-5ux1A:
12.0		 1rnrB-5ux1A:
12.00
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.
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
 0.46A 1rnrB-5uxgA:
12.1		 1rnrB-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)
 0.93A 1rnrB-5vjtA:
5.1		 1rnrB-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)
 1.00A 1rnrB-5vjtA:
5.1		 1rnrB-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)
 0.87A 1rnrB-5xx9A:
9.8		 1rnrB-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.
6bvd LIGHT CHAIN

(Clostridium
botulinum) 		no annotation 5 LEU A 342
SER A 348
PHE A 349
ILE A 106
GLU A 110
 None
 1.13A 1rnrB-6bvdA:
undetectable		 1rnrB-6bvdA:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6chs NPL4

(Chaetomium
thermophilum) 		no annotation 5 LEU A 564
GLU A 561
ARG A 567
TYR A 336
ILE A 551
 None
 1.18A 1rnrB-6chsA:
undetectable		 1rnrB-6chsA:
11.05
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.
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)
 0.79A 1rnrB-6cwoA:
31.2		 1rnrB-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.
6cwo RIBONUCLEOTIDE
REDUCTASE

(Flavobacterium
johnsoniae) 		no annotation 5 GLU A  97
HIS A 100
TYR A 104
GLU A 160
GLU A 195
 MN  A 401 ( 2.6A)
MN  A 401 (-3.5A)
None
MN  A 402 (-2.5A)
MN  A 402 ( 2.1A)
 0.95A 1rnrB-6cwoA:
31.2		 1rnrB-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)
 0.75A 1rnrB-6cwpA:
31.5		 1rnrB-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.
6cwp RIBONUCLEOTIDE
REDUCTASE

(Flavobacterium
johnsoniae) 		no annotation 5 GLU A  97
HIS A 100
TYR A 104
GLU A 160
GLU A 195
 MN  A 402 ( 2.4A)
MN  A 401 (-3.3A)
None
MN  A 402 (-2.4A)
MN  A 402 ( 1.9A)
 0.92A 1rnrB-6cwpA:
31.5		 1rnrB-6cwpA:
11.63