SIMILAR PATTERNS OF AMINO ACIDS FOR 4Z91_J_4LEJ401_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.
1bqg D-GLUCARATE
DEHYDRATASE

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 ALA A 121
LEU A  71
ALA A 118
LEU A  78
LEU A  49
ALA A 125
 None
 1.20A 4z91F-1bqgA:
0.0
4z91G-1bqgA:
0.0
4z91H-1bqgA:
0.0
4z91I-1bqgA:
0.7
4z91J-1bqgA:
0.0		 4z91F-1bqgA:
22.05
4z91G-1bqgA:
22.05
4z91H-1bqgA:
22.05
4z91I-1bqgA:
22.05
4z91J-1bqgA:
22.05
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.
1bqg D-GLUCARATE
DEHYDRATASE

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 LEU A  47
ALA A 121
LEU A  71
LEU A  78
LEU A  49
ALA A 125
 None
 1.02A 4z91F-1bqgA:
0.0
4z91G-1bqgA:
0.0
4z91H-1bqgA:
0.0
4z91I-1bqgA:
0.7
4z91J-1bqgA:
0.0		 4z91F-1bqgA:
22.05
4z91G-1bqgA:
22.05
4z91H-1bqgA:
22.05
4z91I-1bqgA:
22.05
4z91J-1bqgA:
22.05
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.
1bqg D-GLUCARATE
DEHYDRATASE

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 LEU A  49
ALA A 125
ALA A 121
LEU A  71
ALA A 118
LEU A  78
 None
 1.25A 4z91F-1bqgA:
0.0
4z91G-1bqgA:
0.0
4z91H-1bqgA:
0.0
4z91I-1bqgA:
0.7
4z91J-1bqgA:
0.0		 4z91F-1bqgA:
22.05
4z91G-1bqgA:
22.05
4z91H-1bqgA:
22.05
4z91I-1bqgA:
22.05
4z91J-1bqgA:
22.05
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.
1bqg D-GLUCARATE
DEHYDRATASE

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 LEU A  49
ALA A 125
LEU A  47
ALA A 121
LEU A  71
LEU A  78
 None
 1.03A 4z91F-1bqgA:
0.0
4z91G-1bqgA:
0.0
4z91H-1bqgA:
0.0
4z91I-1bqgA:
0.7
4z91J-1bqgA:
0.0		 4z91F-1bqgA:
22.05
4z91G-1bqgA:
22.05
4z91H-1bqgA:
22.05
4z91I-1bqgA:
22.05
4z91J-1bqgA:
22.05
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.
1bqg D-GLUCARATE
DEHYDRATASE

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 LEU A  78
LEU A  49
ALA A 125
LEU A  47
ALA A 121
LEU A  71
 None
 0.99A 4z91F-1bqgA:
0.0
4z91G-1bqgA:
0.0
4z91H-1bqgA:
0.0
4z91I-1bqgA:
0.7
4z91J-1bqgA:
0.0		 4z91F-1bqgA:
22.05
4z91G-1bqgA:
22.05
4z91H-1bqgA:
22.05
4z91I-1bqgA:
22.05
4z91J-1bqgA:
22.05
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.
1ci9 PROTEIN
(CARBOXYLESTERASE)

(Burkholderia
gladioli) 		PF00144
(Beta-lactamase) 		6 LEU A  73
LEU A 369
ALA A 281
LEU A 367
LEU A 288
ALA A 287
 None
 1.21A 4z91F-1ci9A:
0.0
4z91G-1ci9A:
0.0
4z91H-1ci9A:
0.0
4z91I-1ci9A:
0.0
4z91J-1ci9A:
0.0		 4z91F-1ci9A:
21.38
4z91G-1ci9A:
21.38
4z91H-1ci9A:
21.38
4z91I-1ci9A:
21.38
4z91J-1ci9A:
21.38
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.
1f59 IMPORTIN BETA-1

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		6 LEU A  99
ALA A 153
LEU A 133
LEU A 129
ALA A 117
ALA A 109
 None
 1.26A 4z91F-1f59A:
1.7
4z91G-1f59A:
1.4
4z91H-1f59A:
1.7
4z91I-1f59A:
1.6
4z91J-1f59A:
1.5		 4z91F-1f59A:
20.43
4z91G-1f59A:
20.43
4z91H-1f59A:
20.43
4z91I-1f59A:
20.43
4z91J-1f59A:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j3n 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
SYNTHASE II

(Thermus
thermophilus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 LEU A 403
ALA A 165
ALA A 167
ALA A 185
LEU A 238
ALA A 348
 None
 1.22A 4z91F-1j3nA:
0.0
4z91G-1j3nA:
0.0
4z91H-1j3nA:
0.0
4z91I-1j3nA:
0.0
4z91J-1j3nA:
0.0		 4z91F-1j3nA:
20.77
4z91G-1j3nA:
20.77
4z91H-1j3nA:
20.77
4z91I-1j3nA:
20.77
4z91J-1j3nA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ooe DIHYDROPTERIDINE
REDUCTASE

(Caenorhabditis
elegans) 		PF00106
(adh_short) 		6 LEU A 125
ALA A 111
ALA A 109
LEU A 153
LEU A 164
ALA A 115
 None
 1.26A 4z91F-1ooeA:
0.0
4z91G-1ooeA:
0.0
4z91H-1ooeA:
0.0
4z91I-1ooeA:
0.0
4z91J-1ooeA:
0.0		 4z91F-1ooeA:
20.06
4z91G-1ooeA:
20.06
4z91H-1ooeA:
20.06
4z91I-1ooeA:
20.06
4z91J-1ooeA:
20.06
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.
1ooe DIHYDROPTERIDINE
REDUCTASE

(Caenorhabditis
elegans) 		PF00106
(adh_short) 		6 LEU A 125
ALA A 111
LEU A 127
LEU A 153
LEU A 164
ALA A 115
 None
 1.24A 4z91F-1ooeA:
0.0
4z91G-1ooeA:
0.0
4z91H-1ooeA:
0.0
4z91I-1ooeA:
0.0
4z91J-1ooeA:
0.0		 4z91F-1ooeA:
20.06
4z91G-1ooeA:
20.06
4z91H-1ooeA:
20.06
4z91I-1ooeA:
20.06
4z91J-1ooeA:
20.06
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.
1ooe DIHYDROPTERIDINE
REDUCTASE

(Caenorhabditis
elegans) 		PF00106
(adh_short) 		6 LEU A 127
ALA A 109
LEU A 153
LEU A 164
LEU A 125
ALA A 111
 None
 1.26A 4z91F-1ooeA:
0.0
4z91G-1ooeA:
0.0
4z91H-1ooeA:
0.0
4z91I-1ooeA:
0.0
4z91J-1ooeA:
0.0		 4z91F-1ooeA:
20.06
4z91G-1ooeA:
20.06
4z91H-1ooeA:
20.06
4z91I-1ooeA:
20.06
4z91J-1ooeA:
20.06
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.
1ooe DIHYDROPTERIDINE
REDUCTASE

(Caenorhabditis
elegans) 		PF00106
(adh_short) 		6 LEU A 164
ALA A 115
LEU A 125
ALA A 111
ALA A 109
LEU A 153
 None
 1.19A 4z91F-1ooeA:
0.0
4z91G-1ooeA:
0.0
4z91H-1ooeA:
0.0
4z91I-1ooeA:
0.0
4z91J-1ooeA:
0.0		 4z91F-1ooeA:
20.06
4z91G-1ooeA:
20.06
4z91H-1ooeA:
20.06
4z91I-1ooeA:
20.06
4z91J-1ooeA:
20.06
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.
1ooe DIHYDROPTERIDINE
REDUCTASE

(Caenorhabditis
elegans) 		PF00106
(adh_short) 		6 LEU A 164
ALA A 115
LEU A 125
ALA A 111
LEU A 127
LEU A 153
 None
 1.14A 4z91F-1ooeA:
0.0
4z91G-1ooeA:
0.0
4z91H-1ooeA:
0.0
4z91I-1ooeA:
0.0
4z91J-1ooeA:
0.0		 4z91F-1ooeA:
20.06
4z91G-1ooeA:
20.06
4z91H-1ooeA:
20.06
4z91I-1ooeA:
20.06
4z91J-1ooeA:
20.06
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.
1ooe DIHYDROPTERIDINE
REDUCTASE

(Caenorhabditis
elegans) 		PF00106
(adh_short) 		6 LEU A 164
ALA A 115
LEU A 125
ALA A 111
LEU A 127
LEU A 153
 None
 1.18A 4z91F-1ooeA:
0.0
4z91G-1ooeA:
0.0
4z91H-1ooeA:
0.0
4z91I-1ooeA:
0.0
4z91J-1ooeA:
0.0		 4z91F-1ooeA:
20.06
4z91G-1ooeA:
20.06
4z91H-1ooeA:
20.06
4z91I-1ooeA:
20.06
4z91J-1ooeA:
20.06
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.
1qmh RNA 3'-TERMINAL
PHOSPHATE CYCLASE

(Escherichia
coli) 		PF01137
(RTC)
PF05189
(RTC_insert) 		6 ALA A  59
LEU A  24
ALA A  55
LEU A  20
LEU A  77
ALA A  70
 None
 1.21A 4z91F-1qmhA:
0.0
4z91G-1qmhA:
0.0
4z91H-1qmhA:
0.0
4z91I-1qmhA:
0.0
4z91J-1qmhA:
0.0		 4z91F-1qmhA:
21.28
4z91G-1qmhA:
21.28
4z91H-1qmhA:
21.28
4z91I-1qmhA:
21.28
4z91J-1qmhA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qmh RNA 3'-TERMINAL
PHOSPHATE CYCLASE

(Escherichia
coli) 		PF01137
(RTC)
PF05189
(RTC_insert) 		6 LEU A  24
ALA A  55
LEU A  20
LEU A  77
ALA A  70
ALA A  59
 None
 1.17A 4z91F-1qmhA:
0.0
4z91G-1qmhA:
0.0
4z91H-1qmhA:
0.0
4z91I-1qmhA:
0.0
4z91J-1qmhA:
0.0		 4z91F-1qmhA:
21.28
4z91G-1qmhA:
21.28
4z91H-1qmhA:
21.28
4z91I-1qmhA:
21.28
4z91J-1qmhA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v6u ENDO-1,4-BETA-D-XYLA
NASE

(Streptomyces
olivaceoviridis) 		PF00331
(Glyco_hydro_10)
PF00652
(Ricin_B_lectin) 		6 LEU A 300
ALA A 299
ALA A 248
ALA A 292
LEU A 282
LEU A   5
 None
 1.26A 4z91F-1v6uA:
0.0
4z91G-1v6uA:
0.0
4z91H-1v6uA:
0.0
4z91I-1v6uA:
0.0
4z91J-1v6uA:
undetectable		 4z91F-1v6uA:
20.77
4z91G-1v6uA:
20.77
4z91H-1v6uA:
20.77
4z91I-1v6uA:
20.77
4z91J-1v6uA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wcx UROPORPHYRINOGEN III
SYNTHASE

(Thermus
thermophilus) 		PF02602
(HEM4) 		6 ALA A  14
LEU A 175
ALA A  12
LEU A 179
LEU A 212
ALA A 218
 None
 1.09A 4z91F-1wcxA:
0.0
4z91G-1wcxA:
undetectable
4z91H-1wcxA:
0.0
4z91I-1wcxA:
undetectable
4z91J-1wcxA:
undetectable		 4z91F-1wcxA:
19.17
4z91G-1wcxA:
19.17
4z91H-1wcxA:
19.17
4z91I-1wcxA:
19.17
4z91J-1wcxA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wcx UROPORPHYRINOGEN III
SYNTHASE

(Thermus
thermophilus) 		PF02602
(HEM4) 		6 LEU A 175
ALA A  12
LEU A 179
LEU A 212
ALA A 218
ALA A  14
 None
 1.10A 4z91F-1wcxA:
0.0
4z91G-1wcxA:
undetectable
4z91H-1wcxA:
0.0
4z91I-1wcxA:
undetectable
4z91J-1wcxA:
undetectable		 4z91F-1wcxA:
19.17
4z91G-1wcxA:
19.17
4z91H-1wcxA:
19.17
4z91I-1wcxA:
19.17
4z91J-1wcxA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wcx UROPORPHYRINOGEN III
SYNTHASE

(Thermus
thermophilus) 		PF02602
(HEM4) 		6 LEU A 198
ALA A  14
LEU A 175
ALA A  12
LEU A 179
LEU A 212
 None
 1.21A 4z91F-1wcxA:
0.0
4z91G-1wcxA:
undetectable
4z91H-1wcxA:
0.0
4z91I-1wcxA:
undetectable
4z91J-1wcxA:
undetectable		 4z91F-1wcxA:
19.17
4z91G-1wcxA:
19.17
4z91H-1wcxA:
19.17
4z91I-1wcxA:
19.17
4z91J-1wcxA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wle SERYL-TRNA
SYNTHETASE

(Bos taurus) 		PF00587
(tRNA-synt_2b) 		6 LEU A 225
LEU A 447
ALA A 446
LEU A 367
ALA A 391
LEU A 362
 None
 1.24A 4z91F-1wleA:
5.0
4z91G-1wleA:
4.9
4z91H-1wleA:
4.9
4z91I-1wleA:
5.0
4z91J-1wleA:
4.9		 4z91F-1wleA:
20.04
4z91G-1wleA:
20.04
4z91H-1wleA:
20.04
4z91I-1wleA:
20.04
4z91J-1wleA:
20.04
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.
1wle SERYL-TRNA
SYNTHETASE

(Bos taurus) 		PF00587
(tRNA-synt_2b) 		6 LEU A 367
ALA A 391
LEU A 362
LEU A 225
LEU A 447
ALA A 446
 None
 1.18A 4z91F-1wleA:
5.0
4z91G-1wleA:
4.9
4z91H-1wleA:
4.9
4z91I-1wleA:
5.0
4z91J-1wleA:
4.9		 4z91F-1wleA:
20.04
4z91G-1wleA:
20.04
4z91H-1wleA:
20.04
4z91I-1wleA:
20.04
4z91J-1wleA:
20.04
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.
1x4h RNA-BINDING PROTEIN
28

(Mus musculus) 		PF00076
(RRM_1) 		6 LEU A  32
ALA A  60
LEU A  23
LEU A  93
LEU A  36
ALA A  62
 None
 1.23A 4z91F-1x4hA:
undetectable
4z91G-1x4hA:
undetectable
4z91H-1x4hA:
undetectable
4z91I-1x4hA:
undetectable
4z91J-1x4hA:
undetectable		 4z91F-1x4hA:
17.65
4z91G-1x4hA:
17.65
4z91H-1x4hA:
17.65
4z91I-1x4hA:
17.65
4z91J-1x4hA:
17.65
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.
1x4h RNA-BINDING PROTEIN
28

(Mus musculus) 		PF00076
(RRM_1) 		6 LEU A  88
LEU A  23
ALA A  60
ALA A  62
LEU A  36
ALA A  31
 None
 1.24A 4z91F-1x4hA:
undetectable
4z91G-1x4hA:
undetectable
4z91H-1x4hA:
undetectable
4z91I-1x4hA:
undetectable
4z91J-1x4hA:
undetectable		 4z91F-1x4hA:
17.65
4z91G-1x4hA:
17.65
4z91H-1x4hA:
17.65
4z91I-1x4hA:
17.65
4z91J-1x4hA:
17.65
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.
1x9e HMG-COA SYNTHASE

(Enterococcus
faecalis) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		6 LEU A 285
ALA A 231
LEU A 288
ALA A 229
LEU A 319
LEU A 169
 None
 1.15A 4z91F-1x9eA:
undetectable
4z91G-1x9eA:
undetectable
4z91H-1x9eA:
undetectable
4z91I-1x9eA:
undetectable
4z91J-1x9eA:
undetectable		 4z91F-1x9eA:
22.57
4z91G-1x9eA:
22.57
4z91H-1x9eA:
22.57
4z91I-1x9eA:
22.57
4z91J-1x9eA:
22.57
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.
1ykd ADENYLATE CYCLASE

(Anabaena sp.) 		PF01590
(GAF) 		6 LEU A 272
ALA A 430
LEU A 276
ALA A 427
LEU A 294
LEU A 296
 None
 0.86A 4z91F-1ykdA:
1.6
4z91G-1ykdA:
1.9
4z91H-1ykdA:
1.5
4z91I-1ykdA:
1.6
4z91J-1ykdA:
undetectable		 4z91F-1ykdA:
20.65
4z91G-1ykdA:
20.65
4z91H-1ykdA:
20.65
4z91I-1ykdA:
20.65
4z91J-1ykdA:
20.65
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.
1ykd ADENYLATE CYCLASE

(Anabaena sp.) 		PF01590
(GAF) 		6 LEU A 272
ALA A 430
LEU A 276
ALA A 427
LEU A 294
LEU A 296
 None
 1.01A 4z91F-1ykdA:
1.6
4z91G-1ykdA:
1.9
4z91H-1ykdA:
1.5
4z91I-1ykdA:
1.6
4z91J-1ykdA:
undetectable		 4z91F-1ykdA:
20.65
4z91G-1ykdA:
20.65
4z91H-1ykdA:
20.65
4z91I-1ykdA:
20.65
4z91J-1ykdA:
20.65
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.
1ykd ADENYLATE CYCLASE

(Anabaena sp.) 		PF01590
(GAF) 		6 LEU A 276
ALA A 427
LEU A 294
LEU A 296
LEU A 272
ALA A 430
 None
 0.84A 4z91F-1ykdA:
1.6
4z91G-1ykdA:
1.9
4z91H-1ykdA:
1.5
4z91I-1ykdA:
1.6
4z91J-1ykdA:
undetectable		 4z91F-1ykdA:
20.65
4z91G-1ykdA:
20.65
4z91H-1ykdA:
20.65
4z91I-1ykdA:
20.65
4z91J-1ykdA:
20.65
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.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		6 LEU A 576
ALA A 534
LEU A 531
LEU A 718
LEU A 695
ALA A 694
 None
 1.24A 4z91F-2c4mA:
1.3
4z91G-2c4mA:
1.3
4z91H-2c4mA:
2.0
4z91I-2c4mA:
1.3
4z91J-2c4mA:
1.3		 4z91F-2c4mA:
18.24
4z91G-2c4mA:
18.24
4z91H-2c4mA:
18.24
4z91I-2c4mA:
18.24
4z91J-2c4mA:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		6 LEU A 695
ALA A 694
LEU A 576
ALA A 534
LEU A 531
LEU A 718
 None
 1.26A 4z91F-2c4mA:
1.3
4z91G-2c4mA:
1.3
4z91H-2c4mA:
2.0
4z91I-2c4mA:
1.3
4z91J-2c4mA:
1.3		 4z91F-2c4mA:
18.24
4z91G-2c4mA:
18.24
4z91H-2c4mA:
18.24
4z91I-2c4mA:
18.24
4z91J-2c4mA:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		6 LEU A 698
LEU A 576
ALA A 534
LEU A 531
LEU A 718
LEU A 695
 None
 1.26A 4z91F-2c4mA:
1.3
4z91G-2c4mA:
1.3
4z91H-2c4mA:
2.0
4z91I-2c4mA:
1.3
4z91J-2c4mA:
1.3		 4z91F-2c4mA:
18.24
4z91G-2c4mA:
18.24
4z91H-2c4mA:
18.24
4z91I-2c4mA:
18.24
4z91J-2c4mA:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dbf NUCLEAR FACTOR
NF-KAPPA-B P105
SUBUNIT

(Homo sapiens) 		PF00531
(Death) 		6 LEU A  40
LEU A  20
ALA A  85
LEU A  24
LEU A  36
ALA A  76
 None
 1.25A 4z91F-2dbfA:
undetectable
4z91G-2dbfA:
undetectable
4z91H-2dbfA:
undetectable
4z91I-2dbfA:
undetectable
4z91J-2dbfA:
undetectable		 4z91F-2dbfA:
16.03
4z91G-2dbfA:
16.03
4z91H-2dbfA:
16.03
4z91I-2dbfA:
16.03
4z91J-2dbfA:
16.03
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.
2ebj PYRROLIDONE CARBOXYL
PEPTIDASE

(Thermus
thermophilus) 		PF01470
(Peptidase_C15) 		6 LEU A  21
ALA A 182
LEU A  25
ALA A 188
LEU A  62
LEU A  64
 None
 1.19A 4z91F-2ebjA:
undetectable
4z91G-2ebjA:
undetectable
4z91H-2ebjA:
undetectable
4z91I-2ebjA:
undetectable
4z91J-2ebjA:
undetectable		 4z91F-2ebjA:
21.90
4z91G-2ebjA:
21.90
4z91H-2ebjA:
21.90
4z91I-2ebjA:
21.90
4z91J-2ebjA:
21.90
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.
2ebj PYRROLIDONE CARBOXYL
PEPTIDASE

(Thermus
thermophilus) 		PF01470
(Peptidase_C15) 		6 LEU A  25
ALA A 188
LEU A  62
LEU A  64
LEU A  21
ALA A 182
 None
 1.18A 4z91F-2ebjA:
undetectable
4z91G-2ebjA:
undetectable
4z91H-2ebjA:
undetectable
4z91I-2ebjA:
undetectable
4z91J-2ebjA:
undetectable		 4z91F-2ebjA:
21.90
4z91G-2ebjA:
21.90
4z91H-2ebjA:
21.90
4z91I-2ebjA:
21.90
4z91J-2ebjA:
21.90
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.
2ebj PYRROLIDONE CARBOXYL
PEPTIDASE

(Thermus
thermophilus) 		PF01470
(Peptidase_C15) 		6 LEU A  25
LEU A 189
ALA A 188
LEU A  62
LEU A  64
LEU A  21
 None
 1.21A 4z91F-2ebjA:
undetectable
4z91G-2ebjA:
undetectable
4z91H-2ebjA:
undetectable
4z91I-2ebjA:
undetectable
4z91J-2ebjA:
undetectable		 4z91F-2ebjA:
21.90
4z91G-2ebjA:
21.90
4z91H-2ebjA:
21.90
4z91I-2ebjA:
21.90
4z91J-2ebjA:
21.90
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.
2ebj PYRROLIDONE CARBOXYL
PEPTIDASE

(Thermus
thermophilus) 		PF01470
(Peptidase_C15) 		7 LEU A  62
LEU A  64
LEU A  21
ALA A 182
LEU A  25
LEU A 189
ALA A 188
 None
 1.31A 4z91F-2ebjA:
undetectable
4z91G-2ebjA:
undetectable
4z91H-2ebjA:
undetectable
4z91I-2ebjA:
undetectable
4z91J-2ebjA:
undetectable		 4z91F-2ebjA:
21.90
4z91G-2ebjA:
21.90
4z91H-2ebjA:
21.90
4z91I-2ebjA:
21.90
4z91J-2ebjA:
21.90
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.
2ebj PYRROLIDONE CARBOXYL
PEPTIDASE

(Thermus
thermophilus) 		PF01470
(Peptidase_C15) 		6 LEU A  64
LEU A  21
ALA A 182
LEU A  25
LEU A 189
LEU A  62
 None
 1.21A 4z91F-2ebjA:
undetectable
4z91G-2ebjA:
undetectable
4z91H-2ebjA:
undetectable
4z91I-2ebjA:
undetectable
4z91J-2ebjA:
undetectable		 4z91F-2ebjA:
21.90
4z91G-2ebjA:
21.90
4z91H-2ebjA:
21.90
4z91I-2ebjA:
21.90
4z91J-2ebjA:
21.90
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.
2ebj PYRROLIDONE CARBOXYL
PEPTIDASE

(Thermus
thermophilus) 		PF01470
(Peptidase_C15) 		6 LEU A 189
ALA A 188
LEU A  62
LEU A  64
LEU A  21
LEU A  25
 None
 1.15A 4z91F-2ebjA:
undetectable
4z91G-2ebjA:
undetectable
4z91H-2ebjA:
undetectable
4z91I-2ebjA:
undetectable
4z91J-2ebjA:
undetectable		 4z91F-2ebjA:
21.90
4z91G-2ebjA:
21.90
4z91H-2ebjA:
21.90
4z91I-2ebjA:
21.90
4z91J-2ebjA:
21.90
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.
2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 LEU A 454
ALA A 213
ALA A 215
ALA A 233
LEU A 285
ALA A 395
 None
 1.23A 4z91F-2iwzA:
undetectable
4z91G-2iwzA:
undetectable
4z91H-2iwzA:
undetectable
4z91I-2iwzA:
undetectable
4z91J-2iwzA:
undetectable		 4z91F-2iwzA:
20.96
4z91G-2iwzA:
20.96
4z91H-2iwzA:
20.96
4z91I-2iwzA:
20.96
4z91J-2iwzA:
20.96
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.
2j8i NP275

(Nostoc
punctiforme) 		PF00805
(Pentapeptide) 		6 LEU A  22
LEU A   6
LEU A  32
ALA A  35
LEU A  42
ALA A  40
 None
 1.21A 4z91F-2j8iA:
undetectable
4z91G-2j8iA:
undetectable
4z91H-2j8iA:
undetectable
4z91I-2j8iA:
undetectable
4z91J-2j8iA:
undetectable		 4z91F-2j8iA:
14.33
4z91G-2j8iA:
14.33
4z91H-2j8iA:
14.33
4z91I-2j8iA:
14.33
4z91J-2j8iA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j8i NP275

(Nostoc
punctiforme) 		PF00805
(Pentapeptide) 		6 LEU A  32
ALA A  35
LEU A  42
ALA A  40
LEU A  22
LEU A   6
 None
 1.26A 4z91F-2j8iA:
undetectable
4z91G-2j8iA:
undetectable
4z91H-2j8iA:
undetectable
4z91I-2j8iA:
undetectable
4z91J-2j8iA:
undetectable		 4z91F-2j8iA:
14.33
4z91G-2j8iA:
14.33
4z91H-2j8iA:
14.33
4z91I-2j8iA:
14.33
4z91J-2j8iA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j8i NP275

(Nostoc
punctiforme) 		PF00805
(Pentapeptide) 		6 LEU A  92
ALA A  75
LEU A  77
LEU A  82
LEU A  87
ALA A  90
 None
 1.12A 4z91F-2j8iA:
undetectable
4z91G-2j8iA:
undetectable
4z91H-2j8iA:
undetectable
4z91I-2j8iA:
undetectable
4z91J-2j8iA:
undetectable		 4z91F-2j8iA:
14.33
4z91G-2j8iA:
14.33
4z91H-2j8iA:
14.33
4z91I-2j8iA:
14.33
4z91J-2j8iA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j8k NP275-NP276

(Nostoc
punctiforme) 		PF00805
(Pentapeptide) 		6 LEU A  22
LEU A   6
LEU A  32
ALA A  35
LEU A  42
ALA A  40
 None
 1.24A 4z91F-2j8kA:
undetectable
4z91G-2j8kA:
undetectable
4z91H-2j8kA:
undetectable
4z91I-2j8kA:
undetectable
4z91J-2j8kA:
undetectable		 4z91F-2j8kA:
18.60
4z91G-2j8kA:
18.60
4z91H-2j8kA:
18.60
4z91I-2j8kA:
18.60
4z91J-2j8kA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j8k NP275-NP276

(Nostoc
punctiforme) 		PF00805
(Pentapeptide) 		6 LEU A 107
ALA A 105
LEU A  87
ALA A  85
LEU A  77
ALA A 100
 None
 1.17A 4z91F-2j8kA:
undetectable
4z91G-2j8kA:
undetectable
4z91H-2j8kA:
undetectable
4z91I-2j8kA:
undetectable
4z91J-2j8kA:
undetectable		 4z91F-2j8kA:
18.60
4z91G-2j8kA:
18.60
4z91H-2j8kA:
18.60
4z91I-2j8kA:
18.60
4z91J-2j8kA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ng1 SIGNAL SEQUENCE
RECOGNITION PROTEIN
FFH

(Thermus
aquaticus) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		6 LEU A  86
ALA A 255
LEU A 244
ALA A 220
LEU A 247
LEU A 287
 None
None
None
None
None
DIO  A 800 ( 4.0A)
 1.24A 4z91F-2ng1A:
undetectable
4z91G-2ng1A:
2.5
4z91H-2ng1A:
undetectable
4z91I-2ng1A:
2.1
4z91J-2ng1A:
2.3		 4z91F-2ng1A:
20.23
4z91G-2ng1A:
20.23
4z91H-2ng1A:
20.23
4z91I-2ng1A:
20.23
4z91J-2ng1A:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ng1 SIGNAL SEQUENCE
RECOGNITION PROTEIN
FFH

(Thermus
aquaticus) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		6 LEU A 244
ALA A 220
LEU A 247
LEU A 287
LEU A  86
ALA A 255
 None
None
None
DIO  A 800 ( 4.0A)
None
None
 1.20A 4z91F-2ng1A:
undetectable
4z91G-2ng1A:
2.5
4z91H-2ng1A:
undetectable
4z91I-2ng1A:
2.1
4z91J-2ng1A:
2.3		 4z91F-2ng1A:
20.23
4z91G-2ng1A:
20.23
4z91H-2ng1A:
20.23
4z91I-2ng1A:
20.23
4z91J-2ng1A:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pbj PROSTAGLANDIN E
SYNTHASE 2

(Macaca
fascicularis) 		PF13417
(GST_N_3) 		6 LEU A 100
LEU A 182
ALA A 171
LEU A 162
LEU A 151
LEU A 102
 None
 1.18A 4z91F-2pbjA:
1.2
4z91G-2pbjA:
1.7
4z91H-2pbjA:
1.5
4z91I-2pbjA:
undetectable
4z91J-2pbjA:
1.6		 4z91F-2pbjA:
22.54
4z91G-2pbjA:
22.54
4z91H-2pbjA:
22.54
4z91I-2pbjA:
22.54
4z91J-2pbjA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pbj PROSTAGLANDIN E
SYNTHASE 2

(Macaca
fascicularis) 		PF13417
(GST_N_3) 		6 LEU A 102
LEU A 100
LEU A 182
ALA A 171
LEU A 162
LEU A 151
 None
 1.26A 4z91F-2pbjA:
1.2
4z91G-2pbjA:
1.7
4z91H-2pbjA:
1.5
4z91I-2pbjA:
undetectable
4z91J-2pbjA:
1.6		 4z91F-2pbjA:
22.54
4z91G-2pbjA:
22.54
4z91H-2pbjA:
22.54
4z91I-2pbjA:
22.54
4z91J-2pbjA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pbj PROSTAGLANDIN E
SYNTHASE 2

(Macaca
fascicularis) 		PF13417
(GST_N_3) 		6 LEU A 162
LEU A 151
LEU A 102
LEU A 100
LEU A 182
ALA A 171
 None
 1.19A 4z91F-2pbjA:
1.2
4z91G-2pbjA:
1.7
4z91H-2pbjA:
1.5
4z91I-2pbjA:
undetectable
4z91J-2pbjA:
1.6		 4z91F-2pbjA:
22.54
4z91G-2pbjA:
22.54
4z91H-2pbjA:
22.54
4z91I-2pbjA:
22.54
4z91J-2pbjA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		6 ALA A 122
LEU A 132
ALA A 118
LEU A 134
LEU A 248
LEU A 222
 None
 1.15A 4z91F-2ri6A:
undetectable
4z91G-2ri6A:
undetectable
4z91H-2ri6A:
undetectable
4z91I-2ri6A:
undetectable
4z91J-2ri6A:
undetectable		 4z91F-2ri6A:
21.66
4z91G-2ri6A:
21.66
4z91H-2ri6A:
21.66
4z91I-2ri6A:
21.66
4z91J-2ri6A:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		6 LEU A 132
ALA A 118
LEU A 134
LEU A 248
LEU A 222
ALA A 122
 None
 1.14A 4z91F-2ri6A:
undetectable
4z91G-2ri6A:
undetectable
4z91H-2ri6A:
undetectable
4z91I-2ri6A:
undetectable
4z91J-2ri6A:
undetectable		 4z91F-2ri6A:
21.66
4z91G-2ri6A:
21.66
4z91H-2ri6A:
21.66
4z91I-2ri6A:
21.66
4z91J-2ri6A:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		6 LEU A 222
ALA A 122
LEU A 132
ALA A 118
LEU A 134
LEU A 248
 None
 1.17A 4z91F-2ri6A:
undetectable
4z91G-2ri6A:
undetectable
4z91H-2ri6A:
undetectable
4z91I-2ri6A:
undetectable
4z91J-2ri6A:
undetectable		 4z91F-2ri6A:
21.66
4z91G-2ri6A:
21.66
4z91H-2ri6A:
21.66
4z91I-2ri6A:
21.66
4z91J-2ri6A:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cjn TRANSCRIPTIONAL
REGULATOR, MARR
FAMILY

(Ruegeria
pomeroyi) 		PF01047
(MarR) 		6 ALA A  73
LEU A  69
LEU A  84
ALA A  83
LEU A  87
LEU A  55
 None
 1.12A 4z91F-3cjnA:
undetectable
4z91G-3cjnA:
undetectable
4z91H-3cjnA:
undetectable
4z91I-3cjnA:
undetectable
4z91J-3cjnA:
undetectable		 4z91F-3cjnA:
22.08
4z91G-3cjnA:
22.08
4z91H-3cjnA:
22.08
4z91I-3cjnA:
22.08
4z91J-3cjnA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d8n UROPORPHYRINOGEN-III
SYNTHASE

(Thermus
thermophilus) 		PF02602
(HEM4) 		6 LEU A 167
ALA A   4
LEU A 204
ALA A 210
LEU A 190
ALA A   6
 None
 1.22A 4z91F-3d8nA:
undetectable
4z91G-3d8nA:
undetectable
4z91H-3d8nA:
undetectable
4z91I-3d8nA:
undetectable
4z91J-3d8nA:
undetectable		 4z91F-3d8nA:
21.05
4z91G-3d8nA:
21.05
4z91H-3d8nA:
21.05
4z91I-3d8nA:
21.05
4z91J-3d8nA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3da8 PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN

(Mycobacterium
tuberculosis) 		PF00551
(Formyl_trans_N) 		6 LEU A  15
LEU A  92
LEU A 115
ALA A 190
LEU A 187
LEU A  29
 None
 1.20A 4z91F-3da8A:
undetectable
4z91G-3da8A:
undetectable
4z91H-3da8A:
undetectable
4z91I-3da8A:
undetectable
4z91J-3da8A:
undetectable		 4z91F-3da8A:
19.88
4z91G-3da8A:
19.88
4z91H-3da8A:
19.88
4z91I-3da8A:
19.88
4z91J-3da8A:
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.
3e60 3-OXOACYL-[ACYL-CARR
IER-PROTEIN ]
SYNTHASE II

(Bartonella
henselae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 LEU A 413
ALA A 174
ALA A 176
ALA A 194
LEU A 248
ALA A 357
 None
 1.27A 4z91F-3e60A:
undetectable
4z91G-3e60A:
undetectable
4z91H-3e60A:
undetectable
4z91I-3e60A:
undetectable
4z91J-3e60A:
undetectable		 4z91F-3e60A:
22.30
4z91G-3e60A:
22.30
4z91H-3e60A:
22.30
4z91I-3e60A:
22.30
4z91J-3e60A:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ihy PHOSPHATIDYLINOSITOL
3-KINASE CATALYTIC
SUBUNIT TYPE 3

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka) 		6 LEU A 577
ALA A 609
LEU A 573
ALA A 619
LEU A 552
LEU A 585
 None
 1.14A 4z91F-3ihyA:
2.6
4z91G-3ihyA:
2.7
4z91H-3ihyA:
2.6
4z91I-3ihyA:
2.6
4z91J-3ihyA:
1.8		 4z91F-3ihyA:
20.03
4z91G-3ihyA:
20.03
4z91H-3ihyA:
20.03
4z91I-3ihyA:
20.03
4z91J-3ihyA:
20.03
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.
3mem PUTATIVE SIGNAL
TRANSDUCTION PROTEIN

(Marinobacter
hydrocarbonoclasticus) 		PF04073
(tRNA_edit)
PF08668
(HDOD) 		6 LEU A 114
LEU A 121
LEU A  90
ALA A  10
LEU A  93
LEU A  84
 None
 1.19A 4z91F-3memA:
undetectable
4z91G-3memA:
undetectable
4z91H-3memA:
undetectable
4z91I-3memA:
undetectable
4z91J-3memA:
undetectable		 4z91F-3memA:
24.11
4z91G-3memA:
24.11
4z91H-3memA:
24.11
4z91I-3memA:
24.11
4z91J-3memA:
24.11
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.
3nxs LAO/AO TRANSPORT
SYSTEM ATPASE

(Mycolicibacterium
smegmatis) 		PF03308
(ArgK) 		6 LEU A  47
LEU A  43
ALA A  25
LEU A  10
ALA A  21
ALA A 144
 None
 0.96A 4z91F-3nxsA:
undetectable
4z91G-3nxsA:
undetectable
4z91H-3nxsA:
undetectable
4z91I-3nxsA:
undetectable
4z91J-3nxsA:
undetectable		 4z91F-3nxsA:
21.20
4z91G-3nxsA:
21.20
4z91H-3nxsA:
21.20
4z91I-3nxsA:
21.20
4z91J-3nxsA:
21.20
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.
3qmj ENOYL-COA HYDRATASE,
ECHA8_6

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		6 LEU A  51
LEU A  14
ALA A  36
LEU A   3
ALA A  32
LEU A  29
 None
 1.23A 4z91F-3qmjA:
undetectable
4z91G-3qmjA:
undetectable
4z91H-3qmjA:
undetectable
4z91I-3qmjA:
undetectable
4z91J-3qmjA:
undetectable		 4z91F-3qmjA:
20.55
4z91G-3qmjA:
20.55
4z91H-3qmjA:
20.55
4z91I-3qmjA:
20.55
4z91J-3qmjA:
20.55
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.
3r9b CYTOCHROME P450
164A2

(Mycolicibacterium
smegmatis) 		PF00067
(p450) 		6 ALA A 382
LEU A 136
ALA A 379
LEU A 150
LEU A 146
ALA A 269
 None
 1.18A 4z91F-3r9bA:
undetectable
4z91G-3r9bA:
0.9
4z91H-3r9bA:
undetectable
4z91I-3r9bA:
undetectable
4z91J-3r9bA:
0.9		 4z91F-3r9bA:
20.09
4z91G-3r9bA:
20.09
4z91H-3r9bA:
20.09
4z91I-3r9bA:
20.09
4z91J-3r9bA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slk POLYKETIDE SYNTHASE
EXTENDER MODULE 2

(Saccharopolyspora
spinosa) 		PF08240
(ADH_N)
PF08659
(KR)
PF13602
(ADH_zinc_N_2) 		6 LEU A 500
ALA A 482
LEU A 192
LEU A 247
ALA A 237
ALA A 485
 None
 1.23A 4z91F-3slkA:
undetectable
4z91G-3slkA:
undetectable
4z91H-3slkA:
undetectable
4z91I-3slkA:
undetectable
4z91J-3slkA:
undetectable		 4z91F-3slkA:
17.41
4z91G-3slkA:
17.41
4z91H-3slkA:
17.41
4z91I-3slkA:
17.41
4z91J-3slkA:
17.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Streptococcus
mutans) 		PF00195
(Chal_sti_synt_N)
PF08540
(HMG_CoA_synt_C) 		6 LEU A 286
LEU A 289
ALA A 229
LEU A 296
LEU A 320
LEU A 169
 None
 1.04A 4z91F-3sqzA:
undetectable
4z91G-3sqzA:
undetectable
4z91H-3sqzA:
undetectable
4z91I-3sqzA:
undetectable
4z91J-3sqzA:
undetectable		 4z91F-3sqzA:
20.23
4z91G-3sqzA:
20.23
4z91H-3sqzA:
20.23
4z91I-3sqzA:
20.23
4z91J-3sqzA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ucq AMYLOSUCRASE

(Deinococcus
geothermalis) 		PF00128
(Alpha-amylase) 		6 LEU A 635
ALA A 579
LEU A 604
LEU A 609
LEU A 643
LEU A 641
 None
 1.25A 4z91F-3ucqA:
0.4
4z91G-3ucqA:
undetectable
4z91H-3ucqA:
undetectable
4z91I-3ucqA:
undetectable
4z91J-3ucqA:
undetectable		 4z91F-3ucqA:
18.65
4z91G-3ucqA:
18.65
4z91H-3ucqA:
18.65
4z91I-3ucqA:
18.65
4z91J-3ucqA:
18.65
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.
3vv3 DESEASIN MCP-01

(Pseudoalteromonas
sp. SM9913) 		PF00082
(Peptidase_S8) 		6 LEU A 289
ALA A 327
LEU A 297
ALA A 323
LEU A 298
ALA A 278
 None
 1.25A 4z91F-3vv3A:
undetectable
4z91G-3vv3A:
undetectable
4z91H-3vv3A:
undetectable
4z91I-3vv3A:
undetectable
4z91J-3vv3A:
undetectable		 4z91F-3vv3A:
23.80
4z91G-3vv3A:
23.80
4z91H-3vv3A:
23.80
4z91I-3vv3A:
23.80
4z91J-3vv3A:
23.80
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.
4bwi PHYTOCHROME-LIKE
PROTEIN CPH2

(Synechocystis
sp.) 		PF00360
(PHY)
PF01590
(GAF) 		6 LEU A 204
LEU A 208
ALA A 225
LEU A 414
LEU A 356
ALA A 232
 None
 1.23A 4z91F-4bwiA:
1.8
4z91G-4bwiA:
1.8
4z91H-4bwiA:
1.7
4z91I-4bwiA:
1.8
4z91J-4bwiA:
1.9		 4z91F-4bwiA:
22.61
4z91G-4bwiA:
22.61
4z91H-4bwiA:
22.61
4z91I-4bwiA:
22.61
4z91J-4bwiA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bwi PHYTOCHROME-LIKE
PROTEIN CPH2

(Synechocystis
sp.) 		PF00360
(PHY)
PF01590
(GAF) 		6 LEU A 414
LEU A 356
ALA A 232
LEU A 204
LEU A 208
ALA A 225
 None
 1.25A 4z91F-4bwiA:
1.8
4z91G-4bwiA:
1.8
4z91H-4bwiA:
1.7
4z91I-4bwiA:
1.8
4z91J-4bwiA:
1.9		 4z91F-4bwiA:
22.61
4z91G-4bwiA:
22.61
4z91H-4bwiA:
22.61
4z91I-4bwiA:
22.61
4z91J-4bwiA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4czw PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Neurospora
crassa) 		PF00929
(RNase_T)
PF13423
(UCH_1) 		6 LEU A 634
ALA A 720
LEU A 517
ALA A 852
LEU A 614
LEU A 630
 None
 1.18A 4z91F-4czwA:
undetectable
4z91G-4czwA:
undetectable
4z91H-4czwA:
undetectable
4z91I-4czwA:
undetectable
4z91J-4czwA:
undetectable		 4z91F-4czwA:
20.62
4z91G-4czwA:
20.62
4z91H-4czwA:
20.62
4z91I-4czwA:
20.62
4z91J-4czwA:
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.
4f0j PROBABLE HYDROLYTIC
ENZYME

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		6 LEU A 162
ALA A 148
LEU A 164
LEU A 254
LEU A 257
ALA A 152
 None
 0.97A 4z91F-4f0jA:
undetectable
4z91G-4f0jA:
undetectable
4z91H-4f0jA:
undetectable
4z91I-4f0jA:
undetectable
4z91J-4f0jA:
undetectable		 4z91F-4f0jA:
21.14
4z91G-4f0jA:
21.14
4z91H-4f0jA:
21.14
4z91I-4f0jA:
21.14
4z91J-4f0jA:
21.14
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.
4f0j PROBABLE HYDROLYTIC
ENZYME

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		6 LEU A 254
LEU A 257
ALA A 152
LEU A 162
ALA A 148
LEU A 164
 None
 0.90A 4z91F-4f0jA:
undetectable
4z91G-4f0jA:
undetectable
4z91H-4f0jA:
undetectable
4z91I-4f0jA:
undetectable
4z91J-4f0jA:
undetectable		 4z91F-4f0jA:
21.14
4z91G-4f0jA:
21.14
4z91H-4f0jA:
21.14
4z91I-4f0jA:
21.14
4z91J-4f0jA:
21.14
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.
4f0j PROBABLE HYDROLYTIC
ENZYME

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		6 LEU A 257
ALA A 152
LEU A 162
ALA A 148
LEU A 164
LEU A 254
 None
 0.86A 4z91F-4f0jA:
undetectable
4z91G-4f0jA:
undetectable
4z91H-4f0jA:
undetectable
4z91I-4f0jA:
undetectable
4z91J-4f0jA:
undetectable		 4z91F-4f0jA:
21.14
4z91G-4f0jA:
21.14
4z91H-4f0jA:
21.14
4z91I-4f0jA:
21.14
4z91J-4f0jA:
21.14
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.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		6 LEU A 159
ALA A 147
LEU A 157
ALA A 150
ALA A 106
ALA A 143
 None
 1.23A 4z91F-4f0lA:
undetectable
4z91G-4f0lA:
undetectable
4z91H-4f0lA:
undetectable
4z91I-4f0lA:
undetectable
4z91J-4f0lA:
undetectable		 4z91F-4f0lA:
21.64
4z91G-4f0lA:
21.64
4z91H-4f0lA:
21.64
4z91I-4f0lA:
21.64
4z91J-4f0lA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		6 LEU A 740
LEU A 744
ALA A 747
LEU A 754
ALA A 821
ALA A 869
 None
 1.17A 4z91F-4f4cA:
4.3
4z91G-4f4cA:
4.1
4z91H-4f4cA:
4.2
4z91I-4f4cA:
4.8
4z91J-4f4cA:
4.1		 4z91F-4f4cA:
13.90
4z91G-4f4cA:
13.90
4z91H-4f4cA:
13.90
4z91I-4f4cA:
13.90
4z91J-4f4cA:
13.90
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.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		6 LEU A 754
ALA A 821
ALA A 869
LEU A 740
LEU A 744
ALA A 747
 None
 1.10A 4z91F-4f4cA:
4.3
4z91G-4f4cA:
4.1
4z91H-4f4cA:
4.2
4z91I-4f4cA:
4.8
4z91J-4f4cA:
4.1		 4z91F-4f4cA:
13.90
4z91G-4f4cA:
13.90
4z91H-4f4cA:
13.90
4z91I-4f4cA:
13.90
4z91J-4f4cA:
13.90
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.
4lxi MCP HYDROLASE

(Sphingomonas
wittichii) 		PF12697
(Abhydrolase_6) 		6 LEU A 215
ALA A 115
LEU A 125
ALA A 111
LEU A 127
LEU A 212
 None
 0.91A 4z91F-4lxiA:
undetectable
4z91G-4lxiA:
undetectable
4z91H-4lxiA:
undetectable
4z91I-4lxiA:
undetectable
4z91J-4lxiA:
undetectable		 4z91F-4lxiA:
19.94
4z91G-4lxiA:
19.94
4z91H-4lxiA:
19.94
4z91I-4lxiA:
19.94
4z91J-4lxiA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nnq PUTATIVE ENOYL-COA
HYDRATASE

(Streptomyces
atroolivaceus) 		PF00378
(ECH_1) 		6 ALA A  44
LEU A  57
ALA A  22
LEU A  59
LEU A 122
LEU A  96
 None
 1.03A 4z91F-4nnqA:
undetectable
4z91G-4nnqA:
undetectable
4z91H-4nnqA:
undetectable
4z91I-4nnqA:
undetectable
4z91J-4nnqA:
undetectable		 4z91F-4nnqA:
18.35
4z91G-4nnqA:
18.35
4z91H-4nnqA:
18.35
4z91I-4nnqA:
18.35
4z91J-4nnqA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nnq PUTATIVE ENOYL-COA
HYDRATASE

(Streptomyces
atroolivaceus) 		PF00378
(ECH_1) 		6 LEU A  45
ALA A  44
LEU A  57
ALA A  22
LEU A  59
LEU A  96
 None
 1.23A 4z91F-4nnqA:
undetectable
4z91G-4nnqA:
undetectable
4z91H-4nnqA:
undetectable
4z91I-4nnqA:
undetectable
4z91J-4nnqA:
undetectable		 4z91F-4nnqA:
18.35
4z91G-4nnqA:
18.35
4z91H-4nnqA:
18.35
4z91I-4nnqA:
18.35
4z91J-4nnqA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nnq PUTATIVE ENOYL-COA
HYDRATASE

(Streptomyces
atroolivaceus) 		PF00378
(ECH_1) 		6 LEU A  57
ALA A  22
LEU A  59
LEU A  96
LEU A  45
ALA A  44
 None
 1.23A 4z91F-4nnqA:
undetectable
4z91G-4nnqA:
undetectable
4z91H-4nnqA:
undetectable
4z91I-4nnqA:
undetectable
4z91J-4nnqA:
undetectable		 4z91F-4nnqA:
18.35
4z91G-4nnqA:
18.35
4z91H-4nnqA:
18.35
4z91I-4nnqA:
18.35
4z91J-4nnqA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nnq PUTATIVE ENOYL-COA
HYDRATASE

(Streptomyces
atroolivaceus) 		PF00378
(ECH_1) 		6 LEU A  57
ALA A  22
LEU A  59
LEU A 122
LEU A  96
ALA A  44
 None
 1.04A 4z91F-4nnqA:
undetectable
4z91G-4nnqA:
undetectable
4z91H-4nnqA:
undetectable
4z91I-4nnqA:
undetectable
4z91J-4nnqA:
undetectable		 4z91F-4nnqA:
18.35
4z91G-4nnqA:
18.35
4z91H-4nnqA:
18.35
4z91I-4nnqA:
18.35
4z91J-4nnqA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uhh ESTERASE

(Thermogutta
terrifontis) 		PF00561
(Abhydrolase_1) 		6 ALA A 128
LEU A 207
LEU A 210
ALA A 111
LEU A 121
LEU A 123
 None
 0.95A 4z91F-4uhhA:
undetectable
4z91G-4uhhA:
undetectable
4z91H-4uhhA:
undetectable
4z91I-4uhhA:
undetectable
4z91J-4uhhA:
undetectable		 4z91F-4uhhA:
21.22
4z91G-4uhhA:
21.22
4z91H-4uhhA:
21.22
4z91I-4uhhA:
21.22
4z91J-4uhhA:
21.22
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.
4uhh ESTERASE

(Thermogutta
terrifontis) 		PF00561
(Abhydrolase_1) 		6 LEU A 121
ALA A 107
ALA A 128
LEU A 207
LEU A 210
ALA A 111
 None
 0.92A 4z91F-4uhhA:
undetectable
4z91G-4uhhA:
undetectable
4z91H-4uhhA:
undetectable
4z91I-4uhhA:
undetectable
4z91J-4uhhA:
undetectable		 4z91F-4uhhA:
21.22
4z91G-4uhhA:
21.22
4z91H-4uhhA:
21.22
4z91I-4uhhA:
21.22
4z91J-4uhhA:
21.22
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.
4uhh ESTERASE

(Thermogutta
terrifontis) 		PF00561
(Abhydrolase_1) 		6 LEU A 121
ALA A 107
LEU A 123
LEU A 207
LEU A 210
ALA A 111
 None
 0.88A 4z91F-4uhhA:
undetectable
4z91G-4uhhA:
undetectable
4z91H-4uhhA:
undetectable
4z91I-4uhhA:
undetectable
4z91J-4uhhA:
undetectable		 4z91F-4uhhA:
21.22
4z91G-4uhhA:
21.22
4z91H-4uhhA:
21.22
4z91I-4uhhA:
21.22
4z91J-4uhhA:
21.22
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.
4uhh ESTERASE

(Thermogutta
terrifontis) 		PF00561
(Abhydrolase_1) 		6 LEU A 123
ALA A 128
LEU A 207
LEU A 210
LEU A 121
ALA A 107
 None
 0.98A 4z91F-4uhhA:
undetectable
4z91G-4uhhA:
undetectable
4z91H-4uhhA:
undetectable
4z91I-4uhhA:
undetectable
4z91J-4uhhA:
undetectable		 4z91F-4uhhA:
21.22
4z91G-4uhhA:
21.22
4z91H-4uhhA:
21.22
4z91I-4uhhA:
21.22
4z91J-4uhhA:
21.22
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.
4uhh ESTERASE

(Thermogutta
terrifontis) 		PF00561
(Abhydrolase_1) 		7 LEU A 207
LEU A 210
ALA A 111
LEU A 121
ALA A 107
LEU A 123
ALA A 128
 None
 0.94A 4z91F-4uhhA:
undetectable
4z91G-4uhhA:
undetectable
4z91H-4uhhA:
undetectable
4z91I-4uhhA:
undetectable
4z91J-4uhhA:
undetectable		 4z91F-4uhhA:
21.22
4z91G-4uhhA:
21.22
4z91H-4uhhA:
21.22
4z91I-4uhhA:
21.22
4z91J-4uhhA:
21.22
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.
4uhh ESTERASE

(Thermogutta
terrifontis) 		PF00561
(Abhydrolase_1) 		6 LEU A 210
ALA A 111
LEU A 121
ALA A 107
LEU A 123
LEU A 207
 None
 0.66A 4z91F-4uhhA:
undetectable
4z91G-4uhhA:
undetectable
4z91H-4uhhA:
undetectable
4z91I-4uhhA:
undetectable
4z91J-4uhhA:
undetectable		 4z91F-4uhhA:
21.22
4z91G-4uhhA:
21.22
4z91H-4uhhA:
21.22
4z91I-4uhhA:
21.22
4z91J-4uhhA:
21.22
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.
4wgj BEPC PROTEIN

(Bartonella
tribocorum) 		PF02661
(Fic) 		6 LEU A 142
ALA A 141
LEU A 113
LEU A 117
LEU A 163
ALA A 135
 None
 1.23A 4z91F-4wgjA:
undetectable
4z91G-4wgjA:
undetectable
4z91H-4wgjA:
1.7
4z91I-4wgjA:
undetectable
4z91J-4wgjA:
1.6		 4z91F-4wgjA:
18.98
4z91G-4wgjA:
18.98
4z91H-4wgjA:
18.98
4z91I-4wgjA:
18.98
4z91J-4wgjA:
18.98
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.
4x9t UNCHARACTERIZED
PROTEIN UPF0065

(Polaromonas sp.
JS666) 		PF03401
(TctC) 		6 ALA A  53
LEU A  35
LEU A 250
LEU A 120
LEU A  48
ALA A  51
 None
 1.03A 4z91F-4x9tA:
undetectable
4z91G-4x9tA:
undetectable
4z91H-4x9tA:
undetectable
4z91I-4x9tA:
undetectable
4z91J-4x9tA:
undetectable		 4z91F-4x9tA:
21.33
4z91G-4x9tA:
21.33
4z91H-4x9tA:
21.33
4z91I-4x9tA:
21.33
4z91J-4x9tA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x9t UNCHARACTERIZED
PROTEIN UPF0065

(Polaromonas sp.
JS666) 		PF03401
(TctC) 		6 LEU A  48
ALA A  51
ALA A  53
LEU A  35
LEU A 250
LEU A 120
 None
 1.06A 4z91F-4x9tA:
undetectable
4z91G-4x9tA:
undetectable
4z91H-4x9tA:
undetectable
4z91I-4x9tA:
undetectable
4z91J-4x9tA:
undetectable		 4z91F-4x9tA:
21.33
4z91G-4x9tA:
21.33
4z91H-4x9tA:
21.33
4z91I-4x9tA:
21.33
4z91J-4x9tA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x9t UNCHARACTERIZED
PROTEIN UPF0065

(Polaromonas sp.
JS666) 		PF03401
(TctC) 		6 LEU A 120
LEU A  48
ALA A  51
ALA A  53
LEU A  35
LEU A 250
 None
 1.11A 4z91F-4x9tA:
undetectable
4z91G-4x9tA:
undetectable
4z91H-4x9tA:
undetectable
4z91I-4x9tA:
undetectable
4z91J-4x9tA:
undetectable		 4z91F-4x9tA:
21.33
4z91G-4x9tA:
21.33
4z91H-4x9tA:
21.33
4z91I-4x9tA:
21.33
4z91J-4x9tA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH

(Escherichia
coli) 		PF05845
(PhnH) 		6 LEU B  52
ALA B  56
LEU B  77
ALA B  83
LEU B  85
ALA B  92
 None
 1.18A 4z91F-4xb6B:
undetectable
4z91G-4xb6B:
undetectable
4z91H-4xb6B:
undetectable
4z91I-4xb6B:
undetectable
4z91J-4xb6B:
undetectable		 4z91F-4xb6B:
21.91
4z91G-4xb6B:
21.91
4z91H-4xb6B:
21.91
4z91I-4xb6B:
21.91
4z91J-4xb6B:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 LEU A  78
ALA A  15
ALA A  29
LEU A  31
LEU A 106
ALA A 105
 None
 1.01A 4z91F-4ydfA:
undetectable
4z91G-4ydfA:
undetectable
4z91H-4ydfA:
undetectable
4z91I-4ydfA:
undetectable
4z91J-4ydfA:
undetectable		 4z91F-4ydfA:
17.08
4z91G-4ydfA:
17.08
4z91H-4ydfA:
17.08
4z91I-4ydfA:
17.08
4z91J-4ydfA:
17.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yei BETA1MUT

(synthetic
construct) 		PF00805
(Pentapeptide) 		6 LEU A 107
ALA A 130
LEU A 117
ALA A 115
LEU A  97
ALA A 110
 None
 1.20A 4z91F-4yeiA:
undetectable
4z91G-4yeiA:
undetectable
4z91H-4yeiA:
undetectable
4z91I-4yeiA:
undetectable
4z91J-4yeiA:
undetectable		 4z91F-4yeiA:
20.19
4z91G-4yeiA:
20.19
4z91H-4yeiA:
20.19
4z91I-4yeiA:
20.19
4z91J-4yeiA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yei BETA1MUT

(synthetic
construct) 		PF00805
(Pentapeptide) 		6 LEU A 132
ALA A 130
LEU A 112
ALA A 110
LEU A 102
ALA A 125
 None
 1.22A 4z91F-4yeiA:
undetectable
4z91G-4yeiA:
undetectable
4z91H-4yeiA:
undetectable
4z91I-4yeiA:
undetectable
4z91J-4yeiA:
undetectable		 4z91F-4yeiA:
20.19
4z91G-4yeiA:
20.19
4z91H-4yeiA:
20.19
4z91I-4yeiA:
20.19
4z91J-4yeiA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yei BETA1MUT

(synthetic
construct) 		PF00805
(Pentapeptide) 		6 LEU A 152
ALA A 150
LEU A 142
ALA A 165
LEU A 172
ALA A 170
 None
 1.25A 4z91F-4yeiA:
undetectable
4z91G-4yeiA:
undetectable
4z91H-4yeiA:
undetectable
4z91I-4yeiA:
undetectable
4z91J-4yeiA:
undetectable		 4z91F-4yeiA:
20.19
4z91G-4yeiA:
20.19
4z91H-4yeiA:
20.19
4z91I-4yeiA:
20.19
4z91J-4yeiA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yei BETA1MUT

(synthetic
construct) 		PF00805
(Pentapeptide) 		6 LEU A 172
ALA A 170
LEU A 152
ALA A 150
LEU A 142
ALA A 165
 None
 1.20A 4z91F-4yeiA:
undetectable
4z91G-4yeiA:
undetectable
4z91H-4yeiA:
undetectable
4z91I-4yeiA:
undetectable
4z91J-4yeiA:
undetectable		 4z91F-4yeiA:
20.19
4z91G-4yeiA:
20.19
4z91H-4yeiA:
20.19
4z91I-4yeiA:
20.19
4z91J-4yeiA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yei BETA1MUT

(synthetic
construct) 		PF00805
(Pentapeptide) 		6 LEU A 177
LEU A 192
ALA A 190
ALA A 170
LEU A 152
LEU A 157
 None
 1.26A 4z91F-4yeiA:
undetectable
4z91G-4yeiA:
undetectable
4z91H-4yeiA:
undetectable
4z91I-4yeiA:
undetectable
4z91J-4yeiA:
undetectable		 4z91F-4yeiA:
20.19
4z91G-4yeiA:
20.19
4z91H-4yeiA:
20.19
4z91I-4yeiA:
20.19
4z91J-4yeiA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c12 GENE 2 PROTEIN

(Shigella virus
Sf6) 		PF17288
(Terminase_3C) 		6 LEU A 221
LEU A 406
LEU A 446
LEU A 368
LEU A 372
ALA A 224
 None
 1.23A 4z91F-5c12A:
undetectable
4z91G-5c12A:
undetectable
4z91H-5c12A:
undetectable
4z91I-5c12A:
undetectable
4z91J-5c12A:
undetectable		 4z91F-5c12A:
20.75
4z91G-5c12A:
20.75
4z91H-5c12A:
20.75
4z91I-5c12A:
20.75
4z91J-5c12A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		6 LEU b  98
LEU b 437
ALA b 131
ALA b 127
LEU b 102
ALA b 501
 None
 1.22A 4z91F-5gw5b:
2.5
4z91G-5gw5b:
1.8
4z91H-5gw5b:
2.6
4z91I-5gw5b:
2.9
4z91J-5gw5b:
1.8		 4z91F-5gw5b:
20.49
4z91G-5gw5b:
20.49
4z91H-5gw5b:
20.49
4z91I-5gw5b:
20.49
4z91J-5gw5b:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gyy S-RECEPTOR KINASE
SRK9

(Brassica rapa) 		PF00954
(S_locus_glycop)
PF01453
(B_lectin)
PF08276
(PAN_2) 		6 LEU A 389
ALA A 356
LEU A 376
ALA A 333
LEU A 327
ALA A 358
 None
 1.26A 4z91F-5gyyA:
undetectable
4z91G-5gyyA:
undetectable
4z91H-5gyyA:
undetectable
4z91I-5gyyA:
undetectable
4z91J-5gyyA:
undetectable		 4z91F-5gyyA:
22.36
4z91G-5gyyA:
22.36
4z91H-5gyyA:
22.36
4z91I-5gyyA:
22.36
4z91J-5gyyA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hx9 BETA-LACTAMASE

(Burkholderia
vietnamiensis) 		PF13354
(Beta-lactamase2) 		6 ALA A  49
ALA A 284
LEU A  34
ALA A 280
LEU A  45
ALA A 260
 None
 1.11A 4z91F-5hx9A:
undetectable
4z91G-5hx9A:
undetectable
4z91H-5hx9A:
undetectable
4z91I-5hx9A:
undetectable
4z91J-5hx9A:
undetectable		 4z91F-5hx9A:
20.87
4z91G-5hx9A:
20.87
4z91H-5hx9A:
20.87
4z91I-5hx9A:
20.87
4z91J-5hx9A:
20.87