SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'FES'


List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1A4L_B_DCFB853_2
(ADENOSINE DEAMINASE)		 5y6q ALDEHYDE OXIDASE
SMALL SUBUNIT
(Methylobacillus
sp.
KY4400) 		4 / 5 LEU A 137
SER A  62
LEU A  27
GLY A  49
 None
None
None
FES  A 201 (-3.6A)
 1.08A 1a4lB-5y6qA:
undetectable		 1a4lB-5y6qA:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BCU_H_PRLH280_0
(ALPHA-THROMBIN)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		5 / 9 ASP A 428
ALA A 337
VAL A 341
GLY A  47
GLY A 144
 FAD  A3004 (-3.7A)
FAD  A3004 (-3.4A)
FAD  A3004 (-4.9A)
FES  A3002 (-4.4A)
None
 1.16A 1bcuH-4yswA:
undetectable		 1bcuH-4yswA:
10.87
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.
1BU5_B_RBFB302_1
(PROTEIN (FLAVODOXIN))		 4yry DIHYDROOROTATE
DEHYDROGENASE B
(NAD(+)), ELECTRON
TRANSFER SUBUNIT
HOMOLOG
DIHYDROPYRIMIDINE
DEHYDROGENASE
SUBUNIT A
(Thermotoga
maritima) 		4 / 8 THR B 259
THR B 237
ASP B 433
GLY A 223
 None
None
FAD  B 503 (-2.8A)
FES  A 501 (-3.4A)
 1.01A 1bu5B-4yryB:
4.0		 1bu5B-4yryB:
17.36
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.
1BU5_B_RBFB302_1
(PROTEIN (FLAVODOXIN))		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT BETA
(Pyrococcus
furiosus) 		4 / 8 THR L 273
THR L 251
ASP L 444
GLY S 226
 None
None
FAD  L 503 (-2.7A)
FES  S 501 (-3.5A)
 0.91A 1bu5B-5jfcL:
4.3		 1bu5B-5jfcL:
16.06
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.
1C6Y_B_MK1B524_2
(PROTEIN (PROTEASE))		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 12 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.84A 1c6yB-5g5gA:
undetectable		 1c6yB-5g5gA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C9S_L_TRPL81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3zyv AOX3
(Mus
musculus) 		5 / 9 GLY A  50
THR A  56
THR A  75
ILE A 349
SER A 127
 FES  A3002 ( 3.1A)
None
FES  A3002 ( 4.3A)
FAD  A3005 ( 4.3A)
None
 1.50A 1c9sL-3zyvA:
undetectable
1c9sM-3zyvA:
undetectable		 1c9sL-3zyvA:
4.62
1c9sM-3zyvA:
4.62
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.
1C9S_O_TRPO81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3zyv AOX3
(Mus
musculus) 		5 / 9 GLY A  50
THR A  56
THR A  75
ILE A 349
SER A 127
 FES  A3002 ( 3.1A)
None
FES  A3002 ( 4.3A)
FAD  A3005 ( 4.3A)
None
 1.50A 1c9sO-3zyvA:
undetectable
1c9sP-3zyvA:
undetectable		 1c9sO-3zyvA:
4.62
1c9sP-3zyvA:
4.62
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.
1D0V_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 3hrd NICOTINATE
DEHYDROGENASE
FAD-SUBUNIT
NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT
(Eubacterium
barkeri) 		4 / 8 THR D  60
GLY D  45
GLY C 109
GLY C  33
 FES  D 908 (-4.2A)
FES  D 908 ( 3.2A)
FAD  C 900 ( 3.8A)
FAD  C 900 (-3.3A)
 0.66A 1d0vA-3hrdD:
undetectable		 1d0vA-3hrdD:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DF7_A_MTXA501_2
(DIHYDROFOLATE
REDUCTASE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN
(Oligotropha
carboxidovorans) 		3 / 3 TRP B 742
ARG A 112
THR A 140
 None
None
FES  A4907 ( 4.8A)
 0.94A 1df7A-1n60B:
undetectable		 1df7A-1n60B:
12.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EII_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN II)		 5ksw DIHYDROOROTATE
DEHYDROGENASE
DIHYDROOROTATE
DEHYDROGENASE B
(NAD(+)), ELECTRON
TRANSFER SUBUNIT
(Lactococcus
lactis;
Lactococcus
lactis) 		5 / 12 ALA B 233
THR A 198
LEU A 220
LEU B  51
LEU A 213
 FES  B 302 ( 4.3A)
FMN  A 401 ( 4.7A)
None
FAD  B 301 ( 4.2A)
None
 1.17A 1eiiA-5kswB:
undetectable		 1eiiA-5kswB:
23.17
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.
1EKJ_A_ACTA3001_0
(BETA-CARBONIC
ANHYDRASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 8 CYH A 150
GLY A 795
GLY A 796
GLN A 585
 FES  A3001 ( 2.3A)
None
MTE  A3003 (-3.8A)
None
 0.74A 1ekjA-1n5xA:
undetectable
1ekjB-1n5xA:
undetectable		 1ekjA-1n5xA:
10.37
1ekjB-1n5xA:
10.37
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.
1EKJ_A_ACTA3001_0
(BETA-CARBONIC
ANHYDRASE)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		4 / 8 CYH A 149
GLY A 795
GLY A 796
GLN A 585
 FES  A3001 (-2.6A)
None
None
None
 0.83A 1ekjA-4yswA:
undetectable
1ekjB-4yswA:
undetectable		 1ekjA-4yswA:
11.25
1ekjB-4yswA:
11.25
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.
1EKJ_A_ACTA3003_0
(BETA-CARBONIC
ANHYDRASE)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2
(Thermus
thermophilus) 		4 / 8 TYR 2 141
CYH 2  83
VAL 2 133
GLY 2 126
 None
FES  2 182 (-2.2A)
None
FES  2 182 (-4.3A)
 0.80A 1ekjA-3i9v2:
undetectable
1ekjB-3i9v2:
undetectable		 1ekjA-3i9v2:
21.59
1ekjB-3i9v2:
21.59
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.
1EKJ_C_ACTC3004_0
(BETA-CARBONIC
ANHYDRASE)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2
(Thermus
thermophilus) 		4 / 6 TYR 2 141
CYH 2  83
VAL 2 133
GLY 2 126
 None
FES  2 182 (-2.2A)
None
FES  2 182 (-4.3A)
 0.85A 1ekjC-3i9v2:
undetectable
1ekjD-3i9v2:
undetectable		 1ekjC-3i9v2:
21.59
1ekjD-3i9v2:
21.59
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.
1EKJ_C_ACTC3007_0
(BETA-CARBONIC
ANHYDRASE)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2
(Thermus
thermophilus) 		4 / 6 CYH 2  83
VAL 2 133
GLY 2 126
TYR 2 141
 FES  2 182 (-2.2A)
None
FES  2 182 (-4.3A)
None
 0.84A 1ekjC-3i9v2:
undetectable
1ekjD-3i9v2:
undetectable		 1ekjC-3i9v2:
21.59
1ekjD-3i9v2:
21.59
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.
1EKJ_C_ACTC3007_0
(BETA-CARBONIC
ANHYDRASE)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2
(Thermus
thermophilus) 		4 / 6 CYH 2  88
VAL 2 133
GLY 2 126
TYR 2 141
 FES  2 182 (-2.3A)
None
FES  2 182 (-4.3A)
None
 1.29A 1ekjC-3i9v2:
undetectable
1ekjD-3i9v2:
undetectable		 1ekjC-3i9v2:
21.59
1ekjD-3i9v2:
21.59
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.
1EKJ_E_ACTE3005_0
(BETA-CARBONIC
ANHYDRASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 7 CYH A 150
GLY A 795
GLY A 796
GLN A 585
 FES  A3001 ( 2.3A)
None
MTE  A3003 (-3.8A)
None
 0.80A 1ekjE-1n5xA:
undetectable
1ekjF-1n5xA:
undetectable		 1ekjE-1n5xA:
10.37
1ekjF-1n5xA:
10.37
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.
1EKJ_E_ACTE3005_0
(BETA-CARBONIC
ANHYDRASE)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		4 / 7 CYH A 149
GLY A 795
GLY A 796
GLN A 585
 FES  A3001 (-2.6A)
None
None
None
 0.89A 1ekjE-4yswA:
undetectable
1ekjF-4yswA:
undetectable		 1ekjE-4yswA:
11.25
1ekjF-4yswA:
11.25
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.
1EKJ_F_ACTF3008_0
(BETA-CARBONIC
ANHYDRASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 8 GLN A 585
CYH A 150
GLY A 795
GLY A 796
 None
FES  A3001 ( 2.3A)
None
MTE  A3003 (-3.8A)
 0.77A 1ekjE-1n5xA:
undetectable
1ekjF-1n5xA:
undetectable		 1ekjE-1n5xA:
10.37
1ekjF-1n5xA:
10.37
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.
1EKJ_F_ACTF3008_0
(BETA-CARBONIC
ANHYDRASE)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2
(Thermus
thermophilus) 		4 / 8 TYR 2 141
CYH 2  83
VAL 2 133
GLY 2 126
 None
FES  2 182 (-2.2A)
None
FES  2 182 (-4.3A)
 0.87A 1ekjE-3i9v2:
undetectable
1ekjF-3i9v2:
undetectable		 1ekjE-3i9v2:
21.59
1ekjF-3i9v2:
21.59
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.
1EKJ_F_ACTF3008_0
(BETA-CARBONIC
ANHYDRASE)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		4 / 8 GLN A 585
CYH A 149
GLY A 795
GLY A 796
 None
FES  A3001 (-2.6A)
None
None
 0.85A 1ekjE-4yswA:
undetectable
1ekjF-4yswA:
undetectable		 1ekjE-4yswA:
11.25
1ekjF-4yswA:
11.25
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.
1EKJ_G_ACTG3002_0
(BETA-CARBONIC
ANHYDRASE)		 1ffv CUTS, IRON-SULFUR
PROTEIN OF CARBON
MONOXIDE
DEHYDROGENASE
CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE
(Hydrogenophaga
pseudoflava;
Hydrogenophaga
pseudoflava) 		4 / 8 CYH A 138
CYH A 101
GLY B 265
GLN B 524
 FES  A1907 ( 2.3A)
FES  A1907 (-2.3A)
None
PCD  B1920 (-3.5A)
 0.87A 1ekjG-1ffvA:
undetectable
1ekjH-1ffvA:
undetectable		 1ekjG-1ffvA:
20.80
1ekjH-1ffvA:
20.80
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.
1EKJ_G_ACTG3002_0
(BETA-CARBONIC
ANHYDRASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 8 CYH A 150
GLY A 795
GLY A 796
GLN A 585
 FES  A3001 ( 2.3A)
None
MTE  A3003 (-3.8A)
None
 0.78A 1ekjG-1n5xA:
undetectable
1ekjH-1n5xA:
undetectable		 1ekjG-1n5xA:
10.37
1ekjH-1n5xA:
10.37
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.
1EKJ_G_ACTG3002_0
(BETA-CARBONIC
ANHYDRASE)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		4 / 8 CYH A 149
GLY A 795
GLY A 796
GLN A 585
 FES  A3001 (-2.6A)
None
None
None
 0.87A 1ekjG-4yswA:
undetectable
1ekjH-4yswA:
undetectable		 1ekjG-4yswA:
11.25
1ekjH-4yswA:
11.25
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.
1G5Y_C_9CRC502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3n9y ADRENODOXIN
(Homo
sapiens) 		5 / 10 ALA C  45
LEU C  30
SER C  28
LEU C  90
PHE C  43
 None
None
None
FES  C 150 ( 4.5A)
None
 1.24A 1g5yC-3n9yC:
undetectable		 1g5yC-3n9yC:
19.75
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.
1GSF_A_EAAA223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 3cir FUMARATE REDUCTASE
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		4 / 8 PHE B  96
GLY B  66
LEU B  75
VAL B 213
 None
None
FES  B 244 ( 4.4A)
None
 1.23A 1gsfA-3cirB:
undetectable		 1gsfA-3cirB:
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.
1GSF_B_EAAB223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 3cir FUMARATE REDUCTASE
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		4 / 8 PHE B  96
GLY B  66
LEU B  75
VAL B 213
 None
None
FES  B 244 ( 4.4A)
None
 1.23A 1gsfB-3cirB:
undetectable		 1gsfB-3cirB:
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.
1GSF_D_EAAD223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 3cir FUMARATE REDUCTASE
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		4 / 8 PHE B  96
GLY B  66
LEU B  75
VAL B 213
 None
None
FES  B 244 ( 4.4A)
None
 1.23A 1gsfD-3cirB:
undetectable		 1gsfD-3cirB:
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.
1GTF_O_TRPO81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3zyv AOX3
(Mus
musculus) 		5 / 9 GLY A  50
THR A  56
THR A  75
ILE A 349
SER A 127
 FES  A3002 ( 3.1A)
None
FES  A3002 ( 4.3A)
FAD  A3005 ( 4.3A)
None
 1.49A 1gtfO-3zyvA:
undetectable
1gtfP-3zyvA:
undetectable		 1gtfO-3zyvA:
4.62
1gtfP-3zyvA:
4.62
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.
1GTN_R_TRPR81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3zyv AOX3
(Mus
musculus) 		5 / 9 GLY A  50
THR A  56
THR A  75
ILE A 349
SER A 127
 FES  A3002 ( 3.1A)
None
FES  A3002 ( 4.3A)
FAD  A3005 ( 4.3A)
None
 1.44A 1gtnR-3zyvA:
undetectable
1gtnS-3zyvA:
undetectable		 1gtnR-3zyvA:
4.62
1gtnS-3zyvA:
4.62
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.
1GTN_S_TRPS81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3zyv AOX3
(Mus
musculus) 		5 / 9 GLY A  50
THR A  56
THR A  75
ILE A 349
SER A 127
 FES  A3002 ( 3.1A)
None
FES  A3002 ( 4.3A)
FAD  A3005 ( 4.3A)
None
 1.48A 1gtnS-3zyvA:
undetectable
1gtnT-3zyvA:
undetectable		 1gtnS-3zyvA:
4.62
1gtnT-3zyvA:
4.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HRK_B_CHDB2501_0
(FERROCHELATASE)		 3aqi FERROCHELATASE
(Homo
sapiens) 		12 / 12 MET A  76
LEU A  92
PHE A  93
LEU A  98
MET A  99
ILE A 119
HIS A 263
PRO A 266
VAL A 269
ARG A 272
VAL A 305
TRP A 310
 CHD  A   1 ( 3.8A)
CHD  A   1 (-4.8A)
CHD  A   1 ( 4.7A)
CHD  A   1 (-4.3A)
CHD  A   2 (-4.0A)
None
CHD  A   1 (-4.3A)
CHD  A   2 ( 4.5A)
None
FES  A 501 (-4.1A)
CHD  A   1 ( 4.9A)
CHD  A   2 (-4.7A)
 0.54A 1hrkB-3aqiA:
60.9		 1hrkB-3aqiA:
99.72
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.
1HXB_A_ROCA100_1
(HIV-1 PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 12 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.80A 1hxbA-5g5gA:
undetectable		 1hxbA-5g5gA:
24.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JHA_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 3hrd NICOTINATE
DEHYDROGENASE
FAD-SUBUNIT
NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT
(Eubacterium
barkeri) 		4 / 8 THR D  60
GLY D  45
GLY C 109
GLY C  33
 FES  D 908 (-4.2A)
FES  D 908 ( 3.2A)
FAD  C 900 ( 3.8A)
FAD  C 900 (-3.3A)
 0.65A 1jhaA-3hrdD:
undetectable		 1jhaA-3hrdD:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JHO_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 3hrd NICOTINATE
DEHYDROGENASE
FAD-SUBUNIT
NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT
(Eubacterium
barkeri) 		5 / 9 THR D  60
GLY D  45
GLY C 109
LEU C 108
GLY C  33
 FES  D 908 (-4.2A)
FES  D 908 ( 3.2A)
FAD  C 900 ( 3.8A)
None
FAD  C 900 (-3.3A)
 0.90A 1jhoA-3hrdD:
undetectable		 1jhoA-3hrdD:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JHQ_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN
(Oligotropha
carboxidovorans) 		5 / 8 THR B 735
GLY A 133
LEU A 136
ARG A 112
GLY A  48
 None
None
None
None
FES  A4908 (-3.9A)
 1.23A 1jhqA-1n60B:
undetectable		 1jhqA-1n60B:
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.
1JHR_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN
(Oligotropha
carboxidovorans) 		5 / 9 THR B 735
GLY A 133
LEU A 136
ARG A 112
GLY A  48
 None
None
None
None
FES  A4908 (-3.9A)
 1.20A 1jhrA-1n60B:
undetectable		 1jhrA-1n60B:
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.
1JHR_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 3hrd NICOTINATE
DEHYDROGENASE
FAD-SUBUNIT
NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT
(Eubacterium
barkeri) 		5 / 9 THR D  60
GLY D  45
GLY C 109
LEU C 108
GLY C  33
 FES  D 908 (-4.2A)
FES  D 908 ( 3.2A)
FAD  C 900 ( 3.8A)
None
FAD  C 900 (-3.3A)
 0.93A 1jhrA-3hrdD:
undetectable		 1jhrA-3hrdD:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JHY_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 3hrd NICOTINATE
DEHYDROGENASE
FAD-SUBUNIT
NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT
(Eubacterium
barkeri) 		5 / 9 THR D  60
GLY D  45
GLY C 109
LEU C 108
GLY C  33
 FES  D 908 (-4.2A)
FES  D 908 ( 3.2A)
FAD  C 900 ( 3.8A)
None
FAD  C 900 (-3.3A)
 0.90A 1jhyA-3hrdD:
undetectable		 1jhyA-3hrdD:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L4N_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 3hrd NICOTINATE
DEHYDROGENASE
FAD-SUBUNIT
NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT
(Eubacterium
barkeri) 		5 / 9 THR D  60
GLY D  45
GLY C 109
LEU C 108
GLY C  33
 FES  D 908 (-4.2A)
FES  D 908 ( 3.2A)
FAD  C 900 ( 3.8A)
None
FAD  C 900 (-3.3A)
 0.92A 1l4nA-3hrdD:
undetectable		 1l4nA-3hrdD:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L5K_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN
(Oligotropha
carboxidovorans) 		5 / 9 THR B 735
GLY A 133
LEU A 136
ARG A 112
GLY A  48
 None
None
None
None
FES  A4908 (-3.9A)
 1.21A 1l5kA-1n60B:
undetectable		 1l5kA-1n60B:
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.
1L5K_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 3hrd NICOTINATE
DEHYDROGENASE
FAD-SUBUNIT
NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT
(Eubacterium
barkeri) 		5 / 9 THR D  60
GLY D  45
GLY C 109
LEU C 108
GLY C  33
 FES  D 908 (-4.2A)
FES  D 908 ( 3.2A)
FAD  C 900 ( 3.8A)
None
FAD  C 900 (-3.3A)
 0.92A 1l5kA-3hrdD:
undetectable		 1l5kA-3hrdD:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L5L_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN
(Oligotropha
carboxidovorans) 		5 / 9 THR B 735
GLY A 133
LEU A 136
ARG A 112
GLY A  48
 None
None
None
None
FES  A4908 (-3.9A)
 1.23A 1l5lA-1n60B:
undetectable		 1l5lA-1n60B:
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.
1L5L_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 3hrd NICOTINATE
DEHYDROGENASE
FAD-SUBUNIT
NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT
(Eubacterium
barkeri) 		5 / 9 THR D  60
GLY D  45
GLY C 109
LEU C 108
GLY C  33
 FES  D 908 (-4.2A)
FES  D 908 ( 3.2A)
FAD  C 900 ( 3.8A)
None
FAD  C 900 (-3.3A)
 0.91A 1l5lA-3hrdD:
undetectable		 1l5lA-3hrdD:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L5M_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN
(Oligotropha
carboxidovorans) 		5 / 9 THR B 735
GLY A 133
LEU A 136
ARG A 112
GLY A  48
 None
None
None
None
FES  A4908 (-3.9A)
 1.21A 1l5mA-1n60B:
undetectable		 1l5mA-1n60B:
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.
1L5M_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 3hrd NICOTINATE
DEHYDROGENASE
FAD-SUBUNIT
NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT
(Eubacterium
barkeri) 		5 / 9 THR D  60
GLY D  45
GLY C 109
LEU C 108
GLY C  33
 FES  D 908 (-4.2A)
FES  D 908 ( 3.2A)
FAD  C 900 ( 3.8A)
None
FAD  C 900 (-3.3A)
 0.90A 1l5mA-3hrdD:
undetectable		 1l5mA-3hrdD:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M2Z_D_DEXD401_1
(GLUCOCORTICOID
RECEPTOR)		 3zyv AOX3
(Mus
musculus) 		5 / 12 GLY A  53
GLN A 348
MET A 124
CYH A 152
ILE A1234
 FES  A3002 (-3.9A)
None
None
FES  A3001 (-2.2A)
None
 1.37A 1m2zD-3zyvA:
undetectable		 1m2zD-3zyvA:
10.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MUI_B_AB1B100_1
(PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 10 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.85A 1muiA-5g5gA:
undetectable		 1muiA-5g5gA:
24.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MUI_B_AB1B100_1
(PROTEASE)		 5y6q ALDEHYDE OXIDASE
SMALL SUBUNIT
(Methylobacillus
sp.
KY4400) 		5 / 10 GLY A 141
ALA A 142
ASP A  99
GLY A 104
ILE A 146
 None
None
None
FES  A 202 (-4.1A)
None
 0.97A 1muiA-5y6qA:
undetectable		 1muiA-5y6qA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MZ9_D_VDYD1001_3
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 1fxi FERREDOXIN I
(Aphanothece
sacrum) 		3 / 3 THR A  76
LEU A  75
LEU A  64
 None
FES  A  97 (-4.1A)
None
 0.58A 1mz9C-1fxiA:
undetectable		 1mz9C-1fxiA:
13.54
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.
1NV8_A_SAMA300_0
(HEMK PROTEIN)		 5oyn DEHYDRATASE,
ILVD/EDD FAMILY
(Caulobacter
vibrioides) 		5 / 12 THR A  53
GLY A 199
GLY A 152
ASN A  61
ALA A 207
 None
None
None
None
FES  A 602 ( 3.8A)
 1.11A 1nv8A-5oynA:
undetectable		 1nv8A-5oynA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OHR_A_1UNA201_1
(ASPARTYLPROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 11 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.88A 1ohrA-5g5gA:
undetectable		 1ohrA-5g5gA:
24.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_E_BEZE509_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 1jro XANTHINE
DEHYDROGENASE, CHAIN
A
(Rhodobacter
capsulatus) 		4 / 7 ILE A  78
PRO A 108
PHE A 105
ALA A  46
 None
None
None
FES  A3002 ( 4.9A)
 1.08A 1oniD-1jroA:
undetectable
1oniE-1jroA:
undetectable		 1oniD-1jroA:
15.95
1oniE-1jroA:
15.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P9G_A_ACTA42_0
(EAFP 2)		 4jxc FEFE-HYDROGENASE
MATURASE
(Thermotoga
maritima) 		3 / 3 CYH A 311
ARG A 300
CYH A 319
 FES  A 409 ( 2.2A)
None
H2S  A 410 ( 2.0A)
 1.31A 1p9gA-4jxcA:
undetectable		 1p9gA-4jxcA:
5.75
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.
1Q8J_B_C2FB802_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 5epg ALDEHYDE OXIDASE
(Homo
sapiens) 		5 / 12 GLY A1232
ASN A  72
GLY A 346
ASN A 436
ILE A 349
 None
FES  A3002 ( 3.8A)
None
None
FAD  A3004 ( 4.3A)
 1.08A 1q8jB-5epgA:
undetectable		 1q8jB-5epgA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R30_A_SAMA501_0
(BIOTIN SYNTHASE)		 1ffv CUTS, IRON-SULFUR
PROTEIN OF CARBON
MONOXIDE
DEHYDROGENASE
CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE
(Hydrogenophaga
pseudoflava;
Hydrogenophaga
pseudoflava) 		5 / 12 THR A 139
GLY B 691
ASP B  27
ILE B  31
LEU A  86
 FES  A1907 ( 4.7A)
None
None
None
None
 1.18A 1r30A-1ffvA:
undetectable		 1r30A-1ffvA:
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.
1T7I_A_017A200_2
(POL POLYPROTEIN)		 3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II
IRON-SULFUR SUBUNIT
OF SUCCINATE
DEHYDROGENASE
(Ascaris
suum) 		4 / 7 VAL A 283
GLY B  92
ILE B  93
THR A 247
 None
FES  B 301 ( 3.8A)
None
FAD  A 702 (-4.6A)
 0.79A 1t7iB-3vrbA:
undetectable		 1t7iB-3vrbA:
8.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T7J_A_478A200_2
(POL POLYPROTEIN)		 3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II
IRON-SULFUR SUBUNIT
OF SUCCINATE
DEHYDROGENASE
(Ascaris
suum) 		4 / 7 VAL A 283
GLY B  92
ILE B  93
THR A 247
 None
FES  B 301 ( 3.8A)
None
FAD  A 702 (-4.6A)
 0.82A 1t7jB-3vrbA:
undetectable		 1t7jB-3vrbA:
8.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 2num UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT
(Rhodobacter
sphaeroides) 		5 / 12 SER A 154
ILE A 162
GLY A 160
PHE A 156
ALA A  98
 FES  A 200 (-3.1A)
None
None
None
None
 0.98A 1tlsA-2numA:
undetectable		 1tlsA-2numA:
19.12
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.
1TLS_B_C2FB266_0
(THYMIDYLATE SYNTHASE)		 2num UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT
(Rhodobacter
sphaeroides) 		5 / 12 SER A 154
ILE A 162
GLY A 160
PHE A 156
ALA A  98
 FES  A 200 (-3.1A)
None
None
None
None
 1.06A 1tlsB-2numA:
undetectable		 1tlsB-2numA:
19.12
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.
1XOQ_B_ROFB501_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 5epg ALDEHYDE OXIDASE
(Homo
sapiens) 		3 / 3 MET A 753
ASN A 436
GLN A1235
 FES  A3001 (-4.9A)
None
None
 1.03A 1xoqB-5epgA:
undetectable		 1xoqB-5epgA:
13.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YVM_A_TMGA501_1
(METHIONINE
AMINOPEPTIDASE)		 1rie RIESKE IRON-SULFUR
PROTEIN
(Bos
taurus) 		4 / 7 CYH A 158
TYR A 157
TYR A 165
CYH A 139
 FES  A 200 ( 2.2A)
None
None
FES  A 200 ( 2.2A)
 1.33A 1yvmA-1rieA:
undetectable		 1yvmA-1rieA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YVM_A_TMGA501_1
(METHIONINE
AMINOPEPTIDASE)		 3d89 RIESKE
DOMAIN-CONTAINING
PROTEIN
(Mus
musculus) 		4 / 7 CYH A  57
TYR A 145
CYH A  80
HIS A  83
 FES  A 201 (-2.3A)
None
FES  A 201 (-2.3A)
FES  A 201 (-3.2A)
 1.23A 1yvmA-3d89A:
undetectable		 1yvmA-3d89A:
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.
1YVM_A_TMGA501_1
(METHIONINE
AMINOPEPTIDASE)		 3h1i CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL
(Gallus
gallus) 		4 / 7 CYH E 158
TYR E 157
TYR E 165
CYH E 139
 FES  E 501 (-2.2A)
None
None
FES  E 501 (-2.2A)
 1.27A 1yvmA-3h1iE:
undetectable		 1yvmA-3h1iE:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YVM_A_TMGA501_1
(METHIONINE
AMINOPEPTIDASE)		 4aay AROB
(Rhizobium
sp.
NT-26) 		4 / 7 CYH B 103
TYR B 168
CYH B 121
HIS B 124
 FES  B2006 (-2.3A)
None
FES  B2006 (-2.2A)
FES  B2006 (-3.0A)
 1.38A 1yvmA-4aayB:
undetectable		 1yvmA-4aayB:
23.53
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.
1YVM_A_TMGA501_1
(METHIONINE
AMINOPEPTIDASE)		 5nqd ARSENITE OXIDASE
SMALL SUBUNIT AIOB
RIESKE [2FE-2S]
CLUSTER
(Rhizobium
sp.
NT-26) 		4 / 7 CYH B 103
TYR B 168
CYH B 121
HIS B 124
 FES  B 201 (-2.2A)
None
FES  B 201 (-2.1A)
FES  B 201 (-3.3A)
 1.45A 1yvmA-5nqdB:
undetectable		 1yvmA-5nqdB:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z9H_A_IMNA379_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		 3d89 RIESKE
DOMAIN-CONTAINING
PROTEIN
(Mus
musculus) 		5 / 12 TYR A  85
CYH A  80
PRO A  81
VAL A  42
ILE A  87
 FES  A 201 (-4.0A)
FES  A 201 (-2.3A)
None
None
None
 1.08A 1z9hA-3d89A:
undetectable		 1z9hA-3d89A:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z9H_B_IMNB381_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		 3d89 RIESKE
DOMAIN-CONTAINING
PROTEIN
(Mus
musculus) 		5 / 12 TYR A  85
CYH A  80
PRO A  81
VAL A  42
ILE A  87
 FES  A 201 (-4.0A)
FES  A 201 (-2.3A)
None
None
None
 1.07A 1z9hB-3d89A:
undetectable		 1z9hB-3d89A:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z9H_C_IMNC379_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		 3d89 RIESKE
DOMAIN-CONTAINING
PROTEIN
(Mus
musculus) 		5 / 12 TYR A  85
CYH A  80
PRO A  81
VAL A  42
ILE A  87
 FES  A 201 (-4.0A)
FES  A 201 (-2.3A)
None
None
None
 1.09A 1z9hC-3d89A:
undetectable		 1z9hC-3d89A:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZLQ_A_ACTA1502_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 3hrd NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT
(Eubacterium
barkeri) 		4 / 5 PRO D  58
GLY D  48
ASN D 134
GLY D 133
 None
FES  D 908 (-3.8A)
None
None
 1.10A 1zlqA-3hrdD:
undetectable		 1zlqA-3hrdD:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZLQ_A_ACTA1502_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 3hrd NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT
(Eubacterium
barkeri) 		4 / 5 PRO D  58
GLY D 107
ASN D 134
GLY D  48
 None
None
None
FES  D 908 (-3.8A)
 1.17A 1zlqA-3hrdD:
undetectable		 1zlqA-3hrdD:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZLQ_A_ACTA1502_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 5epg ALDEHYDE OXIDASE
(Homo
sapiens) 		4 / 5 PRO A  70
GLY A  50
ASN A 147
GLY A 146
 None
FES  A3002 (-3.4A)
None
None
 1.11A 1zlqA-5epgA:
undetectable		 1zlqA-5epgA:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVO_B_MK1B902_2
(POL POLYPROTEIN)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 12 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.86A 2avoB-5g5gA:
undetectable		 2avoB-5g5gA:
24.60
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.
2AVV_A_MK1A901_1
(POL POLYPROTEIN)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 12 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.84A 2avvA-5g5gA:
undetectable		 2avvA-5g5gA:
23.12
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.
2AVV_E_MK1E902_3
(POL POLYPROTEIN)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 12 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.85A 2avvE-5g5gA:
undetectable		 2avvE-5g5gA:
23.12
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.
2BPX_B_MK1B902_2
(HIV-1 PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 12 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.83A 2bpxB-5g5gA:
undetectable		 2bpxB-5g5gA:
24.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BR4_B_SAMB301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 1ffv CUTS, IRON-SULFUR
PROTEIN OF CARBON
MONOXIDE
DEHYDROGENASE
CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE
(Hydrogenophaga
pseudoflava;
Hydrogenophaga
pseudoflava) 		5 / 12 GLU B 215
GLY B 265
ASN B  36
ARG B  29
CYH A 138
 None
None
None
None
FES  A1907 ( 2.3A)
 1.14A 2br4B-1ffvB:
undetectable		 2br4B-1ffvB:
14.64
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.
2BXQ_A_IMNA2001_1
(SERUM ALBUMIN)		 1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE GAMMA
SUBUNIT
(Thauera
aromatica) 		5 / 10 ALA C  48
ALA C  60
ARG C  58
LEU C  24
LEU C  28
 FES  C1908 ( 4.7A)
None
None
None
None
 1.13A 2bxqA-1sb3C:
2.5		 2bxqA-1sb3C:
14.53
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.
2E7F_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 5epg ALDEHYDE OXIDASE
(Homo
sapiens) 		5 / 12 ASN A  72
GLY A 346
ASN A 436
ARG A 429
ILE A 349
 FES  A3002 ( 3.8A)
None
None
FAD  A3004 (-4.1A)
FAD  A3004 ( 4.3A)
 1.20A 2e7fA-5epgA:
undetectable		 2e7fA-5epgA:
12.18
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.
2E7F_B_C2FB4000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 5epg ALDEHYDE OXIDASE
(Homo
sapiens) 		5 / 12 ASN A  72
GLY A 346
ASN A 436
ARG A 429
ILE A 349
 FES  A3002 ( 3.8A)
None
None
FAD  A3004 (-4.1A)
FAD  A3004 ( 4.3A)
 1.22A 2e7fB-5epgA:
undetectable		 2e7fB-5epgA:
12.18
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.
2F81_A_017A302_1
(POL POLYPROTEIN)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 12 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.80A 2f81A-5g5gA:
undetectable		 2f81A-5g5gA:
23.43
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.
2FB2_A_SAMA501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT
(Eubacterium
barkeri;
Eubacterium
barkeri;
Eubacterium
barkeri) 		4 / 8 CYH D 138
GLU A 187
THR A 234
MET B 219
 FES  D 907 ( 2.4A)
None
None
MCN  B 921 (-3.3A)
 1.05A 2fb2A-3hrdD:
undetectable		 2fb2A-3hrdD:
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.
2HS2_A_017A201_2
(PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 12 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.82A 2hs2B-5g5gA:
undetectable		 2hs2B-5g5gA:
23.12
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.
2IDW_B_017B401_2
(PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 9 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.79A 2idwB-5g5gA:
undetectable		 2idwB-5g5gA:
24.00
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.
2IDW_B_017B401_2
(PROTEASE)		 5y6q ALDEHYDE OXIDASE
SMALL SUBUNIT
(Methylobacillus
sp.
KY4400) 		5 / 9 GLY A 141
ALA A 142
ASP A  99
GLY A 104
ILE A 146
 None
None
None
FES  A 202 (-4.1A)
None
 0.88A 2idwB-5y6qA:
undetectable		 2idwB-5y6qA:
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.
2IVU_A_ZD6A3015_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
PRECURSOR)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		3 / 3 ALA A 590
GLY A 795
SER A 111
 None
None
FES  A3001 ( 4.9A)
 0.59A 2ivuA-1n5xA:
undetectable		 2ivuA-1n5xA:
12.23
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.
2J2P_A_SC2A1290_1
(FICOLIN-2)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		4 / 5 SER A 184
LEU A 165
GLY A 212
ARG A 245
 None
FES  C 202 ( 4.1A)
None
None
 1.08A 2j2pA-4zohA:
undetectable
2j2pB-4zohA:
undetectable		 2j2pA-4zohA:
16.12
2j2pB-4zohA:
16.12
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.
2J2P_C_SC2C1289_1
(FICOLIN-2)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		4 / 6 ARG A 245
SER A 184
LEU A 165
GLY A 212
 None
None
FES  C 202 ( 4.1A)
None
 0.99A 2j2pA-4zohA:
undetectable
2j2pC-4zohA:
undetectable		 2j2pA-4zohA:
16.12
2j2pC-4zohA:
16.12
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.
2J2P_E_SC2E1291_1
(FICOLIN-2)		 4zoh PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT
PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		4 / 4 ASP A 210
LEU C 104
GLY C 107
ARG A   9
 None
None
FES  C 202 (-4.2A)
None
 1.44A 2j2pD-4zohA:
undetectable
2j2pE-4zohA:
undetectable		 2j2pD-4zohA:
16.12
2j2pE-4zohA:
16.12
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.
2J2P_F_SC2F1289_1
(FICOLIN-2)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		4 / 6 ARG A 245
SER A 184
LEU A 165
GLY A 212
 None
None
FES  C 202 ( 4.1A)
None
 1.00A 2j2pD-4zohA:
undetectable
2j2pF-4zohA:
undetectable		 2j2pD-4zohA:
16.12
2j2pF-4zohA:
16.12
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.
2NMY_A_ROCA401_1
(PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 12 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.81A 2nmyA-5g5gA:
undetectable		 2nmyA-5g5gA:
24.00
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.
2NMY_A_ROCA401_2
(PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 12 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.84A 2nmyB-5g5gA:
undetectable		 2nmyB-5g5gA:
24.00
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.
2Q6O_B_SAMB500_0
(HYPOTHETICAL PROTEIN)		 3gcf TERMINAL OXYGENASE
COMPONENT OF
CARBAZOLE
1,9A-DIOXYGENASE
(Nocardioides
aromaticivorans) 		4 / 6 VAL A 121
PRO A 117
THR A 115
TRP A 101
 None
None
None
FES  A 401 (-4.1A)
 1.16A 2q6oB-3gcfA:
undetectable		 2q6oB-3gcfA:
22.37
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.
2QHC_B_AB1B9001_2
(PROTEASE RETROPEPSIN)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 12 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.80A 2qhcB-5g5gA:
undetectable		 2qhcB-5g5gA:
23.78
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.
2UXP_B_CLMB1211_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR)		 5ogx CYTOCHROME P450
REDUCTASE
(Amycolatopsis
methanolica) 		5 / 11 HIS A  54
ALA A  57
VAL A  52
GLY A  41
VAL A  85
 None
None
None
FES  A 402 (-3.7A)
None
 1.29A 2uxpB-5ogxA:
undetectable		 2uxpB-5ogxA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V7B_A_BEZA1529_0
(BENZOATE-COENZYME A
LIGASE)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT
(Eubacterium
barkeri;
Eubacterium
barkeri) 		5 / 9 PHE A  27
TYR D 103
GLY D 102
GLY A 237
LYS A  20
 None
None
FES  D 907 (-4.3A)
MCN  B 921 (-3.7A)
None
 1.35A 2v7bA-3hrdA:
undetectable		 2v7bA-3hrdA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_A_QPSA1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 12 THR A 262
VAL A 345
SER A  69
SER A 123
GLY A  46
 FAD  A3005 (-3.2A)
None
None
None
FES  A3002 ( 3.1A)
 1.11A 2x2iA-1n5xA:
undetectable		 2x2iA-1n5xA:
20.33
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.
2X2I_A_QPSA1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3zyv AOX3
(Mus
musculus) 		5 / 12 THR A 269
VAL A 352
SER A  73
SER A 127
GLY A  50
 FAD  A3005 (-3.0A)
None
None
None
FES  A3002 ( 3.1A)
 1.16A 2x2iA-3zyvA:
undetectable		 2x2iA-3zyvA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_A_QPSA1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		5 / 12 THR A 261
VAL A 344
SER A  69
SER A 122
GLY A  46
 FAD  A3004 (-2.9A)
None
None
None
FES  A3002 ( 3.3A)
 1.14A 2x2iA-4yswA:
undetectable		 2x2iA-4yswA:
21.39
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.
2X2I_B_QPSB1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 5frt DIMERIC (2FE-2S)
PROTEIN
(Azotobacter
vinelandii) 		5 / 10 VAL A 113
PHE A 115
SER A  49
GLY A  29
ALA A  31
 None
None
FES  A5000 ( 3.9A)
None
None
 1.48A 2x2iB-5frtA:
undetectable		 2x2iB-5frtA:
8.91
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.
2X2I_C_QPSC1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3zyv AOX3
(Mus
musculus) 		5 / 12 THR A 269
VAL A 352
SER A  73
SER A 127
GLY A  50
 FAD  A3005 (-3.0A)
None
None
None
FES  A3002 ( 3.1A)
 1.24A 2x2iC-3zyvA:
undetectable		 2x2iC-3zyvA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_C_QPSC1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		5 / 12 THR A 261
VAL A 344
SER A  69
SER A 122
GLY A  46
 FAD  A3004 (-2.9A)
None
None
None
FES  A3002 ( 3.3A)
 1.18A 2x2iC-4yswA:
undetectable		 2x2iC-4yswA:
21.39
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.
2X2I_D_QPSD1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3zyv AOX3
(Mus
musculus) 		5 / 10 THR A 269
VAL A 352
SER A  73
SER A 127
GLY A  50
 FAD  A3005 (-3.0A)
None
None
None
FES  A3002 ( 3.1A)
 1.25A 2x2iD-3zyvA:
undetectable		 2x2iD-3zyvA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_D_QPSD1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		5 / 10 THR A 261
VAL A 344
SER A  69
SER A 122
GLY A  46
 FAD  A3004 (-2.9A)
None
None
None
FES  A3002 ( 3.3A)
 1.21A 2x2iD-4yswA:
undetectable		 2x2iD-4yswA:
21.39
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.
2XZ5_D_ACHD1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4aay AROB
(Rhizobium
sp.
NT-26) 		4 / 8 GLN B 143
TYR B 168
SER B 126
CYH B 121
 None
None
FES  B2006 (-2.9A)
FES  B2006 (-2.2A)
 1.20A 2xz5C-4aayB:
undetectable
2xz5D-4aayB:
undetectable		 2xz5C-4aayB:
19.63
2xz5D-4aayB:
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.
2XZ5_D_ACHD1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 5nqd ARSENITE OXIDASE
SMALL SUBUNIT AIOB
RIESKE [2FE-2S]
CLUSTER
(Rhizobium
sp.
NT-26) 		4 / 8 GLN B 143
TYR B 168
SER B 126
CYH B 121
 None
None
FES  B 201 (-3.1A)
FES  B 201 (-2.1A)
 1.22A 2xz5C-5nqdB:
undetectable
2xz5D-5nqdB:
undetectable		 2xz5C-5nqdB:
undetectable
2xz5D-5nqdB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Z54_A_AB1A200_1
(HIV-1 PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 12 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.88A 2z54A-5g5gA:
undetectable		 2z54A-5g5gA:
23.78
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.
2Z54_A_AB1A200_2
(HIV-1 PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 12 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.82A 2z54B-5g5gA:
undetectable		 2z54B-5g5gA:
23.78
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.
3AF3_A_PAUA314_0
(PANTOTHENATE KINASE)		 1x0g ISCA
(Thermosynechococ
cus
elongatus) 		4 / 6 ARG A  41
MET A 105
PHE A  92
PHE A  90
 FES  A 500 ( 4.9A)
None
None
None
 1.42A 3af3A-1x0gA:
undetectable		 3af3A-1x0gA:
20.46
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.
3ARU_A_PNXA606_1
(CHITINASE A)		 5epg ALDEHYDE OXIDASE
(Homo
sapiens) 		4 / 7 PHE A 116
GLY A  43
ASP A 601
ARG A 833
 None
FES  A3002 (-3.9A)
None
None
 1.26A 3aruA-5epgA:
undetectable		 3aruA-5epgA:
18.12
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.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		 1z01 2-OXO-1,2-DIHYDROQUI
NOLINE
8-MONOOXYGENASE,
OXYGENASE COMPONENT
(Pseudomonas
putida) 		3 / 3 CYH A 105
PHE A 110
PHE A 112
 FES  A 500 (-2.3A)
FES  A 500 (-4.1A)
None
 1.00A 3cr5X-1z01A:
undetectable		 3cr5X-1z01A:
11.88
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.
3E23_A_SAMA221_0
(UNCHARACTERIZED
PROTEIN RPA2492)		 3fah ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
gigas) 		5 / 12 LEU A 145
PRO A 871
GLY A 806
GLY A  97
CYH A 139
 None
None
None
None
FES  A 908 ( 2.4A)
 1.01A 3e23A-3fahA:
undetectable		 3e23A-3fahA:
13.39
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.
3EEY_A_SAMA300_0
(PUTATIVE RRNA
METHYLASE)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT
(Sulfurisphaera
tokodaii;
Sulfurisphaera
tokodaii) 		5 / 12 GLY C  53
ILE C 136
GLY C 135
ASN C  51
THR A 643
 FES  C 201 (-3.9A)
None
None
FAD  B 301 ( 4.2A)
None
 1.05A 3eeyA-4zohC:
undetectable		 3eeyA-4zohC:
22.97
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.
3EEY_B_SAMB300_0
(PUTATIVE RRNA
METHYLASE)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT
(Sulfurisphaera
tokodaii;
Sulfurisphaera
tokodaii) 		5 / 12 GLY C  53
ILE C 136
GLY C 135
ASN C  51
THR A 643
 FES  C 201 (-3.9A)
None
None
FAD  B 301 ( 4.2A)
None
 1.06A 3eeyB-4zohC:
undetectable		 3eeyB-4zohC:
22.97
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.
3EEY_C_SAMC300_0
(PUTATIVE RRNA
METHYLASE)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT
(Sulfurisphaera
tokodaii;
Sulfurisphaera
tokodaii) 		5 / 12 GLY C  53
ILE C 136
GLY C 135
ASN C  51
THR A 643
 FES  C 201 (-3.9A)
None
None
FAD  B 301 ( 4.2A)
None
 1.07A 3eeyC-4zohC:
undetectable		 3eeyC-4zohC:
22.97
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.
3EEY_D_SAMD300_0
(PUTATIVE RRNA
METHYLASE)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT
(Sulfurisphaera
tokodaii;
Sulfurisphaera
tokodaii) 		5 / 12 GLY C  53
ILE C 136
GLY C 135
ASN C  51
THR A 643
 FES  C 201 (-3.9A)
None
None
FAD  B 301 ( 4.2A)
None
 1.08A 3eeyD-4zohC:
undetectable		 3eeyD-4zohC:
22.97
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.
3EEY_E_SAME300_0
(PUTATIVE RRNA
METHYLASE)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT
(Sulfurisphaera
tokodaii;
Sulfurisphaera
tokodaii) 		5 / 12 GLY C  53
ILE C 136
GLY C 135
ASN C  51
THR A 643
 FES  C 201 (-3.9A)
None
None
FAD  B 301 ( 4.2A)
None
 1.06A 3eeyE-4zohC:
undetectable		 3eeyE-4zohC:
22.97
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.
3EEY_F_SAMF300_0
(PUTATIVE RRNA
METHYLASE)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT
(Sulfurisphaera
tokodaii;
Sulfurisphaera
tokodaii) 		5 / 12 GLY C  53
ILE C 136
GLY C 135
ASN C  51
THR A 643
 FES  C 201 (-3.9A)
None
None
FAD  B 301 ( 4.2A)
None
 1.05A 3eeyF-4zohC:
undetectable		 3eeyF-4zohC:
22.97
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.
3EEY_H_SAMH300_0
(PUTATIVE RRNA
METHYLASE)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT
(Sulfurisphaera
tokodaii;
Sulfurisphaera
tokodaii) 		5 / 12 GLY C  53
ILE C 136
GLY C 135
ASN C  51
THR A 643
 FES  C 201 (-3.9A)
None
None
FAD  B 301 ( 4.2A)
None
 1.07A 3eeyH-4zohC:
undetectable		 3eeyH-4zohC:
22.97
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.
3EEY_I_SAMI300_0
(PUTATIVE RRNA
METHYLASE)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT
(Sulfurisphaera
tokodaii;
Sulfurisphaera
tokodaii) 		5 / 12 GLY C  53
ILE C 136
GLY C 135
ASN C  51
THR A 643
 FES  C 201 (-3.9A)
None
None
FAD  B 301 ( 4.2A)
None
 1.08A 3eeyI-4zohC:
undetectable		 3eeyI-4zohC:
22.97
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.
3EEY_J_SAMJ300_0
(PUTATIVE RRNA
METHYLASE)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT
(Sulfurisphaera
tokodaii;
Sulfurisphaera
tokodaii) 		5 / 12 GLY C  53
ILE C 136
GLY C 135
ASN C  51
THR A 643
 FES  C 201 (-3.9A)
None
None
FAD  B 301 ( 4.2A)
None
 1.07A 3eeyJ-4zohC:
undetectable		 3eeyJ-4zohC:
22.97
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.
3EKP_C_478C200_2
(PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 10 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.82A 3ekpD-5g5gA:
undetectable		 3ekpD-5g5gA:
24.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKQ_A_ROCA100_1
(PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 12 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.82A 3ekqA-5g5gA:
undetectable		 3ekqA-5g5gA:
23.91
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.
3EKT_D_017D200_1
(PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 11 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.82A 3ektC-5g5gA:
undetectable		 3ektC-5g5gA:
24.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKV_A_478A200_1
(PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 10 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.77A 3ekvA-5g5gA:
undetectable		 3ekvA-5g5gA:
23.91
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.
3EKV_A_478A200_1
(PROTEASE)		 5y6q ALDEHYDE OXIDASE
SMALL SUBUNIT
(Methylobacillus
sp.
KY4400) 		5 / 10 GLY A 141
ALA A 142
ASP A  99
GLY A 104
ILE A 146
 None
None
None
FES  A 202 (-4.1A)
None
 0.88A 3ekvA-5y6qA:
undetectable		 3ekvA-5y6qA:
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.
3EKX_B_1UNB201_1
(PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 11 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.82A 3ekxA-5g5gA:
undetectable		 3ekxA-5g5gA:
23.91
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.
3EM3_B_478B200_1
(PROTEASE)		 2n0s FERREDOXIN,
CHLOROPLASTIC
(Chlamydomonas
reinhardtii) 		5 / 10 GLY B  30
ALA B  29
LEU B  23
VAL B   3
ILE B  14
 None
None
FES  B 101 ( 4.5A)
None
None
 0.94A 3em3A-2n0sB:
undetectable		 3em3A-2n0sB:
23.08
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.
3EM3_B_478B200_1
(PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 10 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.89A 3em3A-5g5gA:
undetectable		 3em3A-5g5gA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G8I_A_RO7A1_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2
(Thermus
thermophilus) 		4 / 7 LEU 2 154
LEU 2 125
VAL 2 142
LEU 2  96
 None
FES  2 182 (-4.8A)
None
None
 0.88A 3g8iA-3i9v2:
undetectable		 3g8iA-3i9v2:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H52_A_486A3_1
(GLUCOCORTICOID
RECEPTOR)		 3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 MET X  24
ASN X  28
GLY X  31
LEU X  95
ILE X 100
 FES  X 800 ( 4.7A)
None
None
None
None
 1.25A 3h52A-3zyyX:
undetectable		 3h52A-3zyyX:
16.64
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.
3HLW_A_CE3A301_2
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 4zoh PUTATIVE
OXIDOREDUCTASE
FAD-BINDING SUBUNIT
PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT
(Sulfurisphaera
tokodaii) 		4 / 4 CYH C  67
PRO B  38
THR C  56
ASP C  48
 FES  C 201 (-2.3A)
None
None
None
 1.42A 3hlwA-4zohC:
0.0		 3hlwA-4zohC:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HLW_B_CE3B302_2
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 5ze4 DIHYDROXY-ACID
DEHYDRATASE,
CHLOROPLASTIC
(Arabidopsis
thaliana) 		3 / 3 CYH A  66
PRO A 137
ASP A 140
 FES  A 601 (-2.3A)
None
MG  A 606 ( 3.0A)
 1.01A 3hlwB-5ze4A:
undetectable		 3hlwB-5ze4A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IJD_A_C2FA315_0
(UNCHARACTERIZED
PROTEIN)		 1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)
(Clostridium
pasteurianum) 		5 / 11 THR A  60
ILE A  30
THR A  64
VAL A  79
ILE A  83
 FES  A 585 ( 4.2A)
None
None
None
None
 1.25A 3ijdA-1fehA:
0.0		 3ijdA-1fehA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IV6_A_SAMA301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 5vj7 OXIDOREDUCTASE
FERREDOXIN-NADP(+)
REDUCTASE SUBUNIT
ALPHA
(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		5 / 12 PRO B 221
GLY B 226
ILE A 226
THR A 230
LEU B  90
 FAD  B 301 (-4.8A)
FES  B 302 (-3.5A)
None
None
None
 1.23A 3iv6A-5vj7B:
4.9		 3iv6A-5vj7B:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_B_THHB643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 5epg ALDEHYDE OXIDASE
(Homo
sapiens) 		5 / 12 ASN A  72
GLY A 346
ASN A 436
ARG A 429
ILE A 349
 FES  A3002 ( 3.8A)
None
None
FAD  A3004 (-4.1A)
FAD  A3004 ( 4.3A)
 1.18A 3k13B-5epgA:
undetectable		 3k13B-5epgA:
13.19
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		3 / 3 ARG A 101
THR B 513
THR A 145
 None
MCN  B4921 (-2.6A)
FES  A4907 ( 4.7A)
 0.80A 3k2hB-1t3qA:
undetectable		 3k2hB-1t3qA:
14.09
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.
3KKZ_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 12 GLN A 767
GLY A 795
GLY A 797
LEU A 744
GLU A1037
 MOS  A3004 (-3.8A)
None
MTE  A3003 (-3.3A)
FES  A3001 (-4.0A)
None
 1.06A 3kkzA-1n5xA:
undetectable		 3kkzA-1n5xA:
11.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KKZ_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		5 / 12 GLN A 767
GLY A 795
GLY A 797
LEU A 744
GLU A1037
 None
None
None
FES  A3001 ( 4.0A)
None
 1.02A 3kkzA-4yswA:
undetectable		 3kkzA-4yswA:
11.71
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.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 GLY A 191
CYH A  45
CYH A 137
PHE A 423
 None
FES  A 909 (-2.3A)
FES  A 908 (-2.3A)
MCN  A 914 (-3.6A)
 1.06A 3ko0D-1dgjA:
undetectable
3ko0E-1dgjA:
0.8		 3ko0D-1dgjA:
7.44
3ko0E-1dgjA:
7.44
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.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE
CUTS, IRON-SULFUR
PROTEIN OF CARBON
MONOXIDE
DEHYDROGENASE
(Hydrogenophaga
pseudoflava) 		4 / 8 GLY B  33
CYH A  47
CYH A 136
PHE B 268
 None
FES  A1908 (-2.2A)
FES  A1907 (-2.3A)
PCD  B1920 (-3.6A)
 0.99A 3ko0D-1ffvB:
undetectable
3ko0E-1ffvB:
0.0		 3ko0D-1ffvB:
8.53
3ko0E-1ffvB:
8.53
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.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 8 GLY A 588
CYH A  48
CYH A 148
PHE A 798
 None
FES  A3002 (-2.3A)
FES  A3001 (-2.3A)
MTE  A3003 (-3.6A)
 1.08A 3ko0D-1n5xA:
undetectable
3ko0E-1n5xA:
0.2		 3ko0D-1n5xA:
5.64
3ko0E-1n5xA:
5.64
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.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN
(Oligotropha
carboxidovorans) 		4 / 8 GLY B  36
CYH A  47
CYH A 137
PHE B 271
 None
FES  A4908 (-2.2A)
FES  A4907 (-2.3A)
MCN  B4920 ( 3.5A)
 0.98A 3ko0D-1n60B:
undetectable
3ko0E-1n60B:
0.0		 3ko0D-1n60B:
8.91
3ko0E-1n60B:
8.91
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.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT
4-HYDROXYBENZOYL-COA
REDUCTASE GAMMA
SUBUNIT
(Thauera
aromatica) 		4 / 8 GLY A  26
CYH C  46
CYH C 135
PHE A 245
 None
FES  C1908 (-2.2A)
FES  C1907 (-2.3A)
PCD  A1920 (-3.4A)
 1.08A 3ko0D-1sb3A:
undetectable
3ko0E-1sb3A:
undetectable		 3ko0D-1sb3A:
7.84
3ko0E-1sb3A:
7.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		4 / 8 GLY B  29
CYH A  53
CYH A 142
PHE B 255
 None
FES  A4908 (-2.3A)
FES  A4907 (-2.4A)
MCN  B4921 ( 3.8A)
 1.05A 3ko0D-1t3qB:
0.6
3ko0E-1t3qB:
0.6		 3ko0D-1t3qB:
7.50
3ko0E-1t3qB:
7.50
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.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 3fah ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
gigas) 		4 / 8 GLY A 191
CYH A  45
CYH A 137
PHE A 421
 None
FES  A 909 (-2.3A)
FES  A 908 (-2.3A)
PCD  A 921 (-3.4A)
 1.08A 3ko0D-3fahA:
undetectable
3ko0E-3fahA:
undetectable		 3ko0D-3fahA:
7.39
3ko0E-3fahA:
7.39
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.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 3zyv AOX3
(Mus
musculus) 		4 / 8 GLY A 595
CYH A  52
CYH A 152
PHE A 803
 None
FES  A3002 (-2.3A)
FES  A3001 (-2.2A)
MTE  A3003 (-4.1A)
 1.03A 3ko0D-3zyvA:
undetectable
3ko0E-3zyvA:
undetectable		 3ko0D-3zyvA:
5.92
3ko0E-3zyvA:
5.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		4 / 8 GLY A 588
CYH A  48
CYH A 147
PHE A 798
 None
FES  A3002 (-2.2A)
FES  A3001 (-2.3A)
None
 1.05A 3ko0D-4yswA:
undetectable
3ko0E-4yswA:
undetectable		 3ko0D-4yswA:
6.15
3ko0E-4yswA:
6.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 4zoh PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT
PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		4 / 8 GLY A  18
CYH C  52
CYH C 141
PHE A 215
 None
FES  C 201 (-2.1A)
FES  C 202 (-2.3A)
MCN  A 801 (-3.5A)
 1.08A 3ko0D-4zohA:
undetectable
3ko0E-4zohA:
undetectable		 3ko0D-4zohA:
8.96
3ko0E-4zohA:
8.96
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.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 5epg ALDEHYDE OXIDASE
(Homo
sapiens) 		4 / 8 GLY A 595
CYH A  49
CYH A 149
PHE A 807
 None
FES  A3002 (-2.2A)
FES  A3001 (-2.1A)
MTE  A3003 (-3.7A)
 1.04A 3ko0D-5epgA:
undetectable
3ko0E-5epgA:
undetectable		 3ko0D-5epgA:
5.58
3ko0E-5epgA:
5.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT
ALDEHYDE OXIDASE
SMALL SUBUNIT
(Methylobacillus
sp.
KY4400) 		4 / 8 GLY C  49
CYH A  48
CYH A 138
PHE C 262
 None
FES  A 201 (-2.2A)
FES  A 202 (-2.2A)
MCN  C 802 (-3.3A)
 1.04A 3ko0D-5y6qC:
undetectable
3ko0E-5y6qC:
undetectable		 3ko0D-5y6qC:
20.00
3ko0E-5y6qC:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 GLY A 191
CYH A  45
CYH A 137
PHE A 423
 None
FES  A 909 (-2.3A)
FES  A 908 (-2.3A)
MCN  A 914 (-3.6A)
 1.05A 3ko0B-1dgjA:
0.9
3ko0J-1dgjA:
0.5		 3ko0B-1dgjA:
7.44
3ko0J-1dgjA:
7.44
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.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE
CUTS, IRON-SULFUR
PROTEIN OF CARBON
MONOXIDE
DEHYDROGENASE
(Hydrogenophaga
pseudoflava) 		4 / 8 GLY B  33
CYH A  47
CYH A 136
PHE B 268
 None
FES  A1908 (-2.2A)
FES  A1907 (-2.3A)
PCD  B1920 (-3.6A)
 1.00A 3ko0B-1ffvB:
0.4
3ko0J-1ffvB:
0.0		 3ko0B-1ffvB:
8.53
3ko0J-1ffvB:
8.53
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.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN
(Oligotropha
carboxidovorans) 		4 / 8 GLY B  36
CYH A  47
CYH A 137
PHE B 271
 None
FES  A4908 (-2.2A)
FES  A4907 (-2.3A)
MCN  B4920 ( 3.5A)
 0.99A 3ko0B-1n60B:
0.4
3ko0J-1n60B:
0.0		 3ko0B-1n60B:
8.91
3ko0J-1n60B:
8.91
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.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT
4-HYDROXYBENZOYL-COA
REDUCTASE GAMMA
SUBUNIT
(Thauera
aromatica) 		4 / 8 GLY A  26
CYH C  46
CYH C 135
PHE A 245
 None
FES  C1908 (-2.2A)
FES  C1907 (-2.3A)
PCD  A1920 (-3.4A)
 1.09A 3ko0B-1sb3A:
undetectable
3ko0J-1sb3A:
undetectable		 3ko0B-1sb3A:
7.84
3ko0J-1sb3A:
7.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		4 / 8 GLY B  29
CYH A  53
CYH A 142
PHE B 255
 None
FES  A4908 (-2.3A)
FES  A4907 (-2.4A)
MCN  B4921 ( 3.8A)
 1.06A 3ko0B-1t3qB:
0.9
3ko0J-1t3qB:
0.4		 3ko0B-1t3qB:
7.50
3ko0J-1t3qB:
7.50
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.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 3fah ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
gigas) 		4 / 8 GLY A 191
CYH A  45
CYH A 137
PHE A 421
 None
FES  A 909 (-2.3A)
FES  A 908 (-2.3A)
PCD  A 921 (-3.4A)
 1.04A 3ko0B-3fahA:
1.0
3ko0J-3fahA:
undetectable		 3ko0B-3fahA:
7.39
3ko0J-3fahA:
7.39
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.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		4 / 8 GLY A 588
CYH A  48
CYH A 147
PHE A 798
 None
FES  A3002 (-2.2A)
FES  A3001 (-2.3A)
None
 1.05A 3ko0B-4yswA:
undetectable
3ko0J-4yswA:
undetectable		 3ko0B-4yswA:
6.15
3ko0J-4yswA:
6.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 4zoh PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT
PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		4 / 8 GLY A  18
CYH C  52
CYH C 141
PHE A 215
 None
FES  C 201 (-2.1A)
FES  C 202 (-2.3A)
MCN  A 801 (-3.5A)
 1.08A 3ko0B-4zohA:
undetectable
3ko0J-4zohA:
undetectable		 3ko0B-4zohA:
8.96
3ko0J-4zohA:
8.96
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.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT
PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		4 / 8 GLY C  33
CYH A 104
CYH A 208
PHE C 242
 None
FES  A 231 (-2.2A)
FES  A 230 (-2.2A)
MCN  C 921 (-3.6A)
 1.08A 3ko0B-5g5gC:
undetectable
3ko0J-5g5gC:
undetectable		 3ko0B-5g5gC:
8.04
3ko0J-5g5gC:
8.04
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.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT
ALDEHYDE OXIDASE
SMALL SUBUNIT
(Methylobacillus
sp.
KY4400) 		4 / 8 GLY C  49
CYH A  48
CYH A 138
PHE C 262
 None
FES  A 201 (-2.2A)
FES  A 202 (-2.2A)
MCN  C 802 (-3.3A)
 1.05A 3ko0B-5y6qC:
undetectable
3ko0J-5y6qC:
undetectable		 3ko0B-5y6qC:
20.00
3ko0J-5y6qC:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KU1_G_SAMG226_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3cir FUMARATE REDUCTASE
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		5 / 12 GLY B 152
PRO B  73
GLY B  63
ALA B 171
ILE B 149
 SF4  B 246 (-4.2A)
None
FES  B 244 (-3.7A)
SF4  B 246 ( 3.8A)
SF4  B 246 (-4.9A)
 1.12A 3ku1G-3cirB:
undetectable		 3ku1G-3cirB:
23.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LSL_A_PZIA801_0
(GLUTAMATE RECEPTOR 2)		 5epg ALDEHYDE OXIDASE
(Homo
sapiens) 		4 / 8 GLY A 346
PRO A  70
SER A 124
ASN A  72
 None
None
None
FES  A3002 ( 3.8A)
 0.78A 3lslA-5epgA:
undetectable
3lslD-5epgA:
undetectable		 3lslA-5epgA:
12.24
3lslD-5epgA:
12.24
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.
3LSL_G_PZIG801_0
(GLUTAMATE RECEPTOR 2)		 5epg ALDEHYDE OXIDASE
(Homo
sapiens) 		3 / 3 PRO A  70
SER A 124
ASN A  72
 None
None
FES  A3002 ( 3.8A)
 0.69A 3lslG-5epgA:
undetectable		 3lslG-5epgA:
12.24
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.
3LZU_A_017A200_1
(HIV-1 PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 12 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.84A 3lzuA-5g5gA:
undetectable		 3lzuA-5g5gA:
26.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBG_A_ACTA500_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 1jm1 RIESKE IRON-SULFUR
PROTEIN SOXF
(Sulfolobus
acidocaldarius) 		4 / 4 ALA A 190
HIS A 142
HIS A 173
PRO A 189
 None
FES  A 501 (-3.2A)
FES  A 501 (-3.2A)
None
 1.37A 3mbgA-1jm1A:
undetectable		 3mbgA-1jm1A:
17.70
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.
3MBG_A_ACTA500_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 1q90 CYTOCHROME B6-F
COMPLEX IRON-SULFUR
SUBUNIT
(Chlamydomonas
reinhardtii) 		4 / 4 ALA C 170
HIS C 136
HIS C 155
PRO C 169
 None
FES  C 210 (-3.0A)
FES  C 210 ( 3.0A)
None
 1.40A 3mbgA-1q90C:
undetectable		 3mbgA-1q90C:
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.
3MBG_A_ACTA500_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 1rfs RIESKE PROTEIN
(Spinacia
oleracea) 		4 / 4 ALA A 143
HIS A 109
HIS A 128
PRO A 142
 None
FES  A 200 ( 3.3A)
FES  A 200 ( 3.3A)
FES  A 200 ( 4.6A)
 1.25A 3mbgA-1rfsA:
undetectable		 3mbgA-1rfsA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBG_A_ACTA500_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 1rie RIESKE IRON-SULFUR
PROTEIN
(Bos
taurus) 		4 / 4 ALA A 176
HIS A 141
HIS A 161
PRO A 175
 None
FES  A 200 ( 3.2A)
FES  A 200 ( 3.2A)
FES  A 200 ( 4.9A)
 1.37A 3mbgA-1rieA:
undetectable		 3mbgA-1rieA:
20.53
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.
3MBG_A_ACTA500_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 1zrt UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT
(Rhodobacter
capsulatus) 		4 / 4 ALA E 171
HIS E 135
HIS E 156
PRO E 170
 None
FES  E 501 (-3.1A)
FES  E 501 ( 3.1A)
FES  E 501 ( 4.9A)
 1.42A 3mbgA-1zrtE:
undetectable		 3mbgA-1zrtE:
24.63
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.
3MBG_A_ACTA500_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 2num UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT
(Rhodobacter
sphaeroides) 		4 / 4 ALA A 167
HIS A 131
HIS A 152
PRO A 166
 None
FES  A 200 (-3.2A)
FES  A 200 (-3.2A)
FES  A 200 ( 4.7A)
 1.32A 3mbgA-2numA:
undetectable		 3mbgA-2numA:
18.30
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.
3MBG_A_ACTA500_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 2qjp UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT
(Rhodobacter
sphaeroides) 		4 / 4 ALA C 167
HIS C 131
HIS C 152
PRO C 166
 None
FES  C 200 (-3.2A)
FES  C 200 ( 3.2A)
None
 1.38A 3mbgA-2qjpC:
undetectable		 3mbgA-2qjpC:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBG_A_ACTA500_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 2yiu UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT
(Paracoccus
denitrificans) 		4 / 4 ALA C 170
HIS C 134
HIS C 155
PRO C 169
 None
FES  C 500 (-3.0A)
FES  C 500 ( 3.0A)
FES  C 500 ( 4.9A)
 1.39A 3mbgA-2yiuC:
undetectable		 3mbgA-2yiuC:
23.08
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.
3MBG_A_ACTA500_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 2zt9 CYTOCHROME B6-F
COMPLEX IRON-SULFUR
SUBUNIT 1
(Nostoc
sp.
PCC
7120) 		4 / 4 ALA D 144
HIS D 110
HIS D 129
PRO D 143
 FES  D 200 ( 4.8A)
FES  D 200 (-3.2A)
FES  D 200 (-3.0A)
FES  D 200 ( 4.5A)
 1.25A 3mbgA-2zt9D:
undetectable		 3mbgA-2zt9D:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBG_A_ACTA500_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 3azc CYTOCHROME B6-F
COMPLEX IRON-SULFUR
SUBUNIT
(Thermosynechococ
cus
elongatus) 		4 / 4 ALA A 144
HIS A 110
HIS A 129
PRO A 143
 None
FES  A 201 (-3.1A)
FES  A 201 (-3.1A)
FES  A 201 ( 4.7A)
 1.29A 3mbgA-3azcA:
undetectable		 3mbgA-3azcA:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBG_A_ACTA500_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 3cx5 CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		4 / 4 ALA E 196
HIS E 161
HIS E 181
PRO E 195
 None
FES  E4004 (-3.2A)
FES  E4004 ( 3.2A)
FES  E4004 ( 4.7A)
 1.36A 3mbgA-3cx5E:
undetectable		 3mbgA-3cx5E:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBG_A_ACTA500_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 3dqy TOLUENE
1,2-DIOXYGENASE
SYSTEM FERREDOXIN
SUBUNIT
(Pseudomonas
putida) 		4 / 4 ALA A  80
HIS A  44
HIS A  64
PRO A  79
 FES  A 107 ( 4.9A)
FES  A 107 (-3.2A)
FES  A 107 (-3.1A)
FES  A 107 ( 4.6A)
 1.22A 3mbgA-3dqyA:
undetectable		 3mbgA-3dqyA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBG_A_ACTA500_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 3h1i CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL
(Gallus
gallus) 		4 / 4 ALA E 176
HIS E 141
HIS E 161
PRO E 175
 None
FES  E 501 (-3.1A)
FES  E 501 ( 3.1A)
None
 1.32A 3mbgA-3h1iE:
undetectable		 3mbgA-3h1iE:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBG_A_ACTA500_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 5cxm CYTOCHROME B6/F
COMPLEX IRON-SULFUR
SUBUNIT
(Synechocystis
sp.
PCC
6803) 		4 / 4 ALA A 113
HIS A  79
HIS A  98
PRO A 112
 None
FES  A 201 ( 3.1A)
NI  A 203 ( 3.2A)
FES  A 201 (-4.2A)
 1.20A 3mbgA-5cxmA:
undetectable		 3mbgA-5cxmA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBG_A_ACTA500_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 5okd CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL
(Bos
taurus) 		4 / 4 ALA E 176
HIS E 141
HIS E 161
PRO E 175
 FES  E 201 ( 4.9A)
FES  E 201 (-3.8A)
FES  E 201 (-3.4A)
FES  E 201 ( 4.6A)
 1.31A 3mbgA-5okdE:
undetectable		 3mbgA-5okdE:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBG_C_ACTC900_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 1jm1 RIESKE IRON-SULFUR
PROTEIN SOXF
(Sulfolobus
acidocaldarius) 		4 / 4 ALA A 190
HIS A 142
HIS A 173
PRO A 189
 None
FES  A 501 (-3.2A)
FES  A 501 (-3.2A)
None
 1.37A 3mbgC-1jm1A:
undetectable		 3mbgC-1jm1A:
17.70
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.
3MBG_C_ACTC900_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 1q90 CYTOCHROME B6-F
COMPLEX IRON-SULFUR
SUBUNIT
(Chlamydomonas
reinhardtii) 		4 / 4 ALA C 170
HIS C 136
HIS C 155
PRO C 169
 None
FES  C 210 (-3.0A)
FES  C 210 ( 3.0A)
None
 1.39A 3mbgC-1q90C:
undetectable		 3mbgC-1q90C:
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.
3MBG_C_ACTC900_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 1rfs RIESKE PROTEIN
(Spinacia
oleracea) 		4 / 4 ALA A 143
HIS A 109
HIS A 128
PRO A 142
 None
FES  A 200 ( 3.3A)
FES  A 200 ( 3.3A)
FES  A 200 ( 4.6A)
 1.25A 3mbgC-1rfsA:
undetectable		 3mbgC-1rfsA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBG_C_ACTC900_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 1rie RIESKE IRON-SULFUR
PROTEIN
(Bos
taurus) 		4 / 4 ALA A 176
HIS A 141
HIS A 161
PRO A 175
 None
FES  A 200 ( 3.2A)
FES  A 200 ( 3.2A)
FES  A 200 ( 4.9A)
 1.37A 3mbgC-1rieA:
undetectable		 3mbgC-1rieA:
20.53
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.
3MBG_C_ACTC900_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 2num UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT
(Rhodobacter
sphaeroides) 		4 / 4 ALA A 167
HIS A 131
HIS A 152
PRO A 166
 None
FES  A 200 (-3.2A)
FES  A 200 (-3.2A)
FES  A 200 ( 4.7A)
 1.32A 3mbgC-2numA:
undetectable		 3mbgC-2numA:
18.30
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.
3MBG_C_ACTC900_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 2qjp UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT
(Rhodobacter
sphaeroides) 		4 / 4 ALA C 167
HIS C 131
HIS C 152
PRO C 166
 None
FES  C 200 (-3.2A)
FES  C 200 ( 3.2A)
None
 1.38A 3mbgC-2qjpC:
undetectable		 3mbgC-2qjpC:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBG_C_ACTC900_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 2yiu UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT
(Paracoccus
denitrificans) 		4 / 4 ALA C 170
HIS C 134
HIS C 155
PRO C 169
 None
FES  C 500 (-3.0A)
FES  C 500 ( 3.0A)
FES  C 500 ( 4.9A)
 1.40A 3mbgC-2yiuC:
undetectable		 3mbgC-2yiuC:
23.08
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.
3MBG_C_ACTC900_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 2zt9 CYTOCHROME B6-F
COMPLEX IRON-SULFUR
SUBUNIT 1
(Nostoc
sp.
PCC
7120) 		4 / 4 ALA D 144
HIS D 110
HIS D 129
PRO D 143
 FES  D 200 ( 4.8A)
FES  D 200 (-3.2A)
FES  D 200 (-3.0A)
FES  D 200 ( 4.5A)
 1.25A 3mbgC-2zt9D:
undetectable		 3mbgC-2zt9D:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBG_C_ACTC900_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 3azc CYTOCHROME B6-F
COMPLEX IRON-SULFUR
SUBUNIT
(Thermosynechococ
cus
elongatus) 		4 / 4 ALA A 144
HIS A 110
HIS A 129
PRO A 143
 None
FES  A 201 (-3.1A)
FES  A 201 (-3.1A)
FES  A 201 ( 4.7A)
 1.28A 3mbgC-3azcA:
undetectable		 3mbgC-3azcA:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBG_C_ACTC900_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 3cx5 CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL
(Saccharomyces
cerevisiae) 		4 / 4 ALA E 196
HIS E 161
HIS E 181
PRO E 195
 None
FES  E4004 (-3.2A)
FES  E4004 ( 3.2A)
FES  E4004 ( 4.7A)
 1.36A 3mbgC-3cx5E:
undetectable		 3mbgC-3cx5E:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBG_C_ACTC900_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 3dqy TOLUENE
1,2-DIOXYGENASE
SYSTEM FERREDOXIN
SUBUNIT
(Pseudomonas
putida) 		4 / 4 ALA A  80
HIS A  44
HIS A  64
PRO A  79
 FES  A 107 ( 4.9A)
FES  A 107 (-3.2A)
FES  A 107 (-3.1A)
FES  A 107 ( 4.6A)
 1.22A 3mbgC-3dqyA:
undetectable		 3mbgC-3dqyA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBG_C_ACTC900_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 3h1i CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL
(Gallus
gallus) 		4 / 4 ALA E 176
HIS E 141
HIS E 161
PRO E 175
 None
FES  E 501 (-3.1A)
FES  E 501 ( 3.1A)
None
 1.32A 3mbgC-3h1iE:
undetectable		 3mbgC-3h1iE:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBG_C_ACTC900_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 4pv1 CYTOCHROME B6-F
COMPLEX IRON-SULFUR
SUBUNIT
(Mastigocladus
laminosus) 		4 / 4 ALA D 144
HIS D 110
HIS D 129
PRO D 143
 None
FES  D 201 (-3.0A)
FES  D 201 (-2.7A)
None
 1.32A 3mbgC-4pv1D:
undetectable		 3mbgC-4pv1D:
19.70
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.
3MBG_C_ACTC900_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 5cxm CYTOCHROME B6/F
COMPLEX IRON-SULFUR
SUBUNIT
(Synechocystis
sp.
PCC
6803) 		4 / 4 ALA A 113
HIS A  79
HIS A  98
PRO A 112
 None
FES  A 201 ( 3.1A)
NI  A 203 ( 3.2A)
FES  A 201 (-4.2A)
 1.20A 3mbgC-5cxmA:
undetectable		 3mbgC-5cxmA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBG_C_ACTC900_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 5okd CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL
(Bos
taurus) 		4 / 4 ALA E 176
HIS E 141
HIS E 161
PRO E 175
 FES  E 201 ( 4.9A)
FES  E 201 (-3.8A)
FES  E 201 (-3.4A)
FES  E 201 ( 4.6A)
 1.31A 3mbgC-5okdE:
undetectable		 3mbgC-5okdE:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MNO_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		 3hrd NICOTINATE
DEHYDROGENASE
FAD-SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT
(Eubacterium
barkeri) 		5 / 12 GLY D  48
GLN C 104
MET D 108
CYH D 136
ILE B 259
 FES  D 908 (-3.8A)
None
None
FES  D 907 (-2.3A)
None
 1.40A 3mnoA-3hrdD:
undetectable		 3mnoA-3hrdD:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MNO_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		 3zyv AOX3
(Mus
musculus) 		5 / 12 GLY A  53
GLN A 348
MET A 124
CYH A 152
ILE A1234
 FES  A3002 (-3.9A)
None
None
FES  A3001 (-2.2A)
None
 1.37A 3mnoA-3zyvA:
undetectable		 3mnoA-3zyvA:
11.14
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.
3MNO_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		 5epg ALDEHYDE OXIDASE
(Homo
sapiens) 		5 / 12 GLY A  50
GLN A 348
MET A 121
CYH A 149
ILE A1238
 FES  A3002 (-3.4A)
None
None
FES  A3001 (-2.1A)
None
 1.39A 3mnoA-5epgA:
undetectable		 3mnoA-5epgA:
12.02
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.
3MNP_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		 3zyv AOX3
(Mus
musculus) 		5 / 12 GLY A  53
GLN A 348
MET A 124
CYH A 152
ILE A1234
 FES  A3002 (-3.9A)
None
None
FES  A3001 (-2.2A)
None
 1.36A 3mnpA-3zyvA:
undetectable		 3mnpA-3zyvA:
11.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MNP_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		 5epg ALDEHYDE OXIDASE
(Homo
sapiens) 		5 / 12 GLY A  50
GLN A 348
MET A 121
CYH A 149
ILE A1238
 FES  A3002 (-3.4A)
None
None
FES  A3001 (-2.1A)
None
 1.39A 3mnpA-5epgA:
undetectable		 3mnpA-5epgA:
12.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N3I_A_ROCA201_2
(PROTEASE)		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT BETA
(Pyrococcus
furiosus) 		4 / 6 ILE L 400
ILE L 194
GLY L 196
VAL S 222
 None
None
FAD  L 503 ( 4.3A)
FES  S 501 (-4.9A)
 0.88A 3n3iA-5jfcL:
undetectable		 3n3iA-5jfcL:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDX_A_RITA100_2
(PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 11 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.85A 3ndxB-5g5gA:
undetectable		 3ndxB-5g5gA:
23.12
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.
3NU4_B_478B401_2
(PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 9 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.86A 3nu4B-5g5gA:
undetectable		 3nu4B-5g5gA:
23.12
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.
3NUJ_B_478B401_2
(PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 9 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.87A 3nujB-5g5gA:
undetectable		 3nujB-5g5gA:
23.12
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.
3NUO_B_478B478_2
(PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 9 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.92A 3nuoB-5g5gA:
undetectable		 3nuoB-5g5gA:
23.43
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.
3O1X_A_ADNA1450_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 1)		 4r5q CRISPR-ASSOCIATED
EXONUCLEASE, CAS4
FAMILY
(Pyrobaculum
calidifontis) 		5 / 10 PHE A 205
ASP A  60
SER A  56
LEU A  67
SER A  83
 None
None
None
FES  A 302 ( 4.1A)
None
 1.28A 3o1xA-4r5qA:
undetectable		 3o1xA-4r5qA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OKX_A_SAMA201_0
(YAEB-LIKE PROTEIN
RPA0152)		 3n9y ADRENODOXIN
(Homo
sapiens) 		5 / 12 LEU C  30
GLY C  48
THR C  49
CYH C  55
LEU C  57
 None
FES  C 150 (-4.0A)
None
FES  C 150 (-2.1A)
None
 1.29A 3okxA-3n9yC:
undetectable		 3okxA-3n9yC:
19.43
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.
3OKX_B_SAMB201_1
(YAEB-LIKE PROTEIN
RPA0152)		 3n9y ADRENODOXIN
(Homo
sapiens) 		5 / 12 LEU C  30
GLY C  48
THR C  49
CYH C  55
LEU C  57
 None
FES  C 150 (-4.0A)
None
FES  C 150 (-2.1A)
None
 1.27A 3okxB-3n9yC:
undetectable		 3okxB-3n9yC:
19.43
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.
3OXC_A_ROCA401_3
(PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 12 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.83A 3oxcB-5g5gA:
undetectable		 3oxcB-5g5gA:
23.12
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.
3OXV_B_478B200_1
(HIV-1 PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 9 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.84A 3oxvA-5g5gA:
undetectable		 3oxvA-5g5gA:
22.70
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.
3OXV_B_478B200_1
(HIV-1 PROTEASE)		 5y6q ALDEHYDE OXIDASE
SMALL SUBUNIT
(Methylobacillus
sp.
KY4400) 		5 / 9 GLY A 141
ALA A 142
ASP A  99
GLY A 104
ILE A 146
 None
None
None
FES  A 202 (-4.1A)
None
 0.96A 3oxvA-5y6qA:
undetectable		 3oxvA-5y6qA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXV_C_478C200_1
(HIV-1 PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 9 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.85A 3oxvC-5g5gA:
undetectable		 3oxvC-5g5gA:
22.70
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.
3OXV_C_478C200_1
(HIV-1 PROTEASE)		 5y6q ALDEHYDE OXIDASE
SMALL SUBUNIT
(Methylobacillus
sp.
KY4400) 		5 / 9 GLY A 141
ALA A 142
ASP A  99
GLY A 104
ILE A 146
 None
None
None
FES  A 202 (-4.1A)
None
 0.97A 3oxvC-5y6qA:
undetectable		 3oxvC-5y6qA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QGZ_A_ADNA127_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 1)		 4r5q CRISPR-ASSOCIATED
EXONUCLEASE, CAS4
FAMILY
(Pyrobaculum
calidifontis) 		5 / 10 PHE A 205
ASP A  60
SER A  56
LEU A  67
SER A  83
 None
None
None
FES  A 302 ( 4.1A)
None
 1.26A 3qgzA-4r5qA:
undetectable		 3qgzA-4r5qA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S45_B_478B201_2
(PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 11 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.74A 3s45B-5g5gA:
undetectable		 3s45B-5g5gA:
19.91
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.
3SJ4_X_DXCX75_0
(CYTOCHROME C7)		 4zoh PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT
(Sulfurisphaera
tokodaii) 		5 / 9 ILE C  94
LEU C 121
LYS C  65
ILE C  58
GLY C 135
 None
None
FES  C 201 ( 4.5A)
None
None
 1.15A 3sj4X-4zohC:
undetectable		 3sj4X-4zohC:
17.53
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.
3SXJ_A_SAMA258_0
(PUTATIVE
METHYLTRANSFERASE)		 3hrd NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT
(Eubacterium
barkeri) 		5 / 12 ARG D  24
GLY D  45
GLU D  40
ALA D  49
ASN D 134
 None
FES  D 908 ( 3.2A)
None
None
None
 1.29A 3sxjA-3hrdD:
undetectable		 3sxjA-3hrdD:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SXJ_B_SAMB258_0
(PUTATIVE
METHYLTRANSFERASE)		 3hrd NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT
(Eubacterium
barkeri) 		5 / 12 ARG D  24
GLY D  45
GLU D  40
ALA D  49
ASN D 134
 None
FES  D 908 ( 3.2A)
None
None
None
 1.28A 3sxjB-3hrdD:
undetectable		 3sxjB-3hrdD:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T7S_C_SAMC300_0
(PUTATIVE
METHYLTRANSFERASE)		 3hrd NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT
(Eubacterium
barkeri) 		5 / 12 ARG D  24
GLY D  45
GLU D  40
ALA D  49
ASN D 134
 None
FES  D 908 ( 3.2A)
None
None
None
 1.19A 3t7sC-3hrdD:
undetectable		 3t7sC-3hrdD:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKD_A_CYZA266_2
(GLUTAMATE RECEPTOR 2)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2
(Thermus
thermophilus) 		4 / 5 ILE 1 254
PRO 1 261
SER 2 127
GLY 1 262
 None
None
FES  2 182 (-4.4A)
None
 1.14A 3tkdB-3i9v1:
undetectable		 3tkdB-3i9v1:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TTP_A_017A201_1
(HIV-1 PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 10 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.88A 3ttpA-5g5gA:
undetectable		 3ttpA-5g5gA:
21.08
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.
3TTP_A_017A201_2
(HIV-1 PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 10 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.88A 3ttpB-5g5gA:
undetectable		 3ttpB-5g5gA:
21.08
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.
3U9F_E_CLME221_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1z01 2-OXO-1,2-DIHYDROQUI
NOLINE
8-MONOOXYGENASE,
OXYGENASE COMPONENT
(Pseudomonas
putida) 		3 / 3 PHE A 110
CYH A  84
HIS A  86
 FES  A 500 (-4.1A)
FES  A 500 (-2.3A)
FES  A 500 (-3.2A)
 1.20A 3u9fF-1z01A:
undetectable		 3u9fF-1z01A:
20.90
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.
3U9F_I_CLMI221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1z01 2-OXO-1,2-DIHYDROQUI
NOLINE
8-MONOOXYGENASE,
OXYGENASE COMPONENT
(Pseudomonas
putida) 		3 / 3 PHE A 110
CYH A  84
HIS A  86
 FES  A 500 (-4.1A)
FES  A 500 (-2.3A)
FES  A 500 (-3.2A)
 1.11A 3u9fG-1z01A:
0.9		 3u9fG-1z01A:
20.90
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.
3U9F_K_CLMK221_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1z01 2-OXO-1,2-DIHYDROQUI
NOLINE
8-MONOOXYGENASE,
OXYGENASE COMPONENT
(Pseudomonas
putida) 		3 / 3 PHE A 110
CYH A  84
HIS A  86
 FES  A 500 (-4.1A)
FES  A 500 (-2.3A)
FES  A 500 (-3.2A)
 1.18A 3u9fL-1z01A:
undetectable		 3u9fL-1z01A:
20.90
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.
3U9F_R_CLMR221_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1z01 2-OXO-1,2-DIHYDROQUI
NOLINE
8-MONOOXYGENASE,
OXYGENASE COMPONENT
(Pseudomonas
putida) 		3 / 3 PHE A 110
CYH A  84
HIS A  86
 FES  A 500 (-4.1A)
FES  A 500 (-2.3A)
FES  A 500 (-3.2A)
 1.20A 3u9fS-1z01A:
undetectable		 3u9fS-1z01A:
20.90
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.
3V4T_H_ACTH502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 4wqm TOLUENE-4-MONOOXYGEN
ASE ELECTRON
TRANSFER COMPONENT
(Pseudomonas
mendocina) 		3 / 3 SER A  38
GLY A  39
GLN A  77
 FAD  A 402 (-3.4A)
FES  A 401 (-3.5A)
FAD  A 402 ( 4.7A)
 0.65A 3v4tH-4wqmA:
undetectable		 3v4tH-4wqmA:
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.
3W68_B_VIVB301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT
FUMARATE REDUCTASE
IRON-SULFUR PROTEIN
(Wolinella
succinogenes;
Wolinella
succinogenes) 		5 / 12 TYR A 521
ILE A 182
VAL A 230
PHE B  53
VAL B  56
 None
None
None
None
FES  B1240 (-4.8A)
 0.97A 3w68B-1qlbA:
undetectable		 3w68B-1qlbA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_E_W9TE506_1
(HEMOLYTIC LECTIN
CEL-III)		 1e9m FERREDOXIN VI
(Rhodobacter
capsulatus) 		4 / 6 CYH A  48
THR A  47
CYH A  86
GLY A  41
 FES  A 500 (-2.1A)
None
FES  A 500 (-2.3A)
FES  A 500 (-3.6A)
 1.34A 3w9tE-1e9mA:
0.0		 3w9tE-1e9mA:
12.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_E_W9TE506_1
(HEMOLYTIC LECTIN
CEL-III)		 1fqt RIESKE-TYPE
FERREDOXIN OF
BIPHENYL DIOXYGENASE
(Paraburkholderia
xenovorans) 		4 / 6 CYH A  43
THR A  44
CYH A  63
GLY A  68
 FES  A1001 (-2.2A)
None
FES  A1001 (-2.3A)
FES  A1001 (-3.9A)
 1.39A 3w9tE-1fqtA:
0.0		 3w9tE-1fqtA:
13.88
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.
3W9T_E_W9TE506_1
(HEMOLYTIC LECTIN
CEL-III)		 3dqy TOLUENE
1,2-DIOXYGENASE
SYSTEM FERREDOXIN
SUBUNIT
(Pseudomonas
putida) 		4 / 6 CYH A  42
THR A  43
CYH A  61
GLY A  66
 FES  A 107 (-2.3A)
None
FES  A 107 (-2.2A)
FES  A 107 (-3.7A)
 1.38A 3w9tE-3dqyA:
undetectable		 3w9tE-3dqyA:
14.87
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.
3W9T_E_W9TE506_1
(HEMOLYTIC LECTIN
CEL-III)		 3fou QUINOL-CYTOCHROME C
REDUCTASE, RIESKE
IRON-SULFUR SUBUNIT
(Thermus
thermophilus) 		4 / 6 CYH A 132
THR A 133
CYH A 151
GLY A 156
 FES  A 204 (-2.3A)
None
FES  A 204 (-2.4A)
FES  A 204 (-3.9A)
 1.37A 3w9tE-3fouA:
1.7		 3w9tE-3fouA:
16.55
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.
3W9T_E_W9TE506_1
(HEMOLYTIC LECTIN
CEL-III)		 3lxf FERREDOXIN
(Novosphingobium
aromaticivorans) 		4 / 6 CYH A  49
THR A  48
CYH A  86
GLY A  42
 FES  A 500 (-2.3A)
None
FES  A 500 (-2.3A)
FES  A 500 (-3.6A)
 1.39A 3w9tE-3lxfA:
undetectable		 3w9tE-3lxfA:
14.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_E_W9TE506_1
(HEMOLYTIC LECTIN
CEL-III)		 4ltu FERREDOXIN
(Rhodopseudomonas
palustris) 		4 / 6 CYH A  48
THR A  47
CYH A  86
GLY A  41
 FES  A 201 (-2.2A)
None
FES  A 201 (-2.1A)
FES  A 201 (-4.0A)
 1.39A 3w9tE-4ltuA:
undetectable		 3w9tE-4ltuA:
12.88
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.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 1ffv CUTS, IRON-SULFUR
PROTEIN OF CARBON
MONOXIDE
DEHYDROGENASE
(Hydrogenophaga
pseudoflava) 		5 / 10 GLY A 133
ALA A  49
GLY A  48
CYH A  42
CYH A  50
 None
None
FES  A1908 (-3.7A)
FES  A1908 (-2.3A)
FES  A1908 (-2.2A)
 1.25A 4c5lC-1ffvA:
undetectable		 4c5lC-1ffvA:
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.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 1fiq XANTHINE OXIDASE
(Bos
taurus) 		5 / 10 GLY A 145
ALA A  50
GLY A  49
CYH A  43
CYH A  51
 None
FES  A 602 ( 4.9A)
FES  A 602 (-4.0A)
FES  A 602 (-2.4A)
FES  A 602 (-2.2A)
 1.12A 4c5lC-1fiqA:
undetectable		 4c5lC-1fiqA:
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.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN
(Oligotropha
carboxidovorans) 		5 / 10 GLY A 134
ALA A  49
GLY A  48
CYH A  42
CYH A  50
 None
None
FES  A4908 (-3.9A)
FES  A4908 (-2.3A)
FES  A4908 (-2.2A)
 1.20A 4c5lC-1n60A:
undetectable		 4c5lC-1n60A:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 3nvy XANTHINE
DEHYDROGENASE/OXIDAS
E
(Bos
taurus) 		5 / 10 GLY A 145
ALA A  50
GLY A  49
CYH A  43
CYH A  51
 None
FES  A 602 ( 4.7A)
FES  A 602 (-3.9A)
FES  A 602 (-2.3A)
FES  A 602 (-2.2A)
 1.15A 4c5lC-3nvyA:
undetectable		 4c5lC-3nvyA:
17.20
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.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4wqm TOLUENE-4-MONOOXYGEN
ASE ELECTRON
TRANSFER COMPONENT
(Pseudomonas
mendocina) 		5 / 10 GLY A  62
ALA A  43
GLY A  42
CYH A  36
CYH A  44
 BTB  A 408 (-4.5A)
None
FES  A 401 (-3.9A)
FES  A 401 ( 2.3A)
FES  A 401 (-2.3A)
 1.11A 4c5lC-4wqmA:
4.8		 4c5lC-4wqmA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		5 / 10 GLY A 144
ALA A  50
GLY A  49
CYH A  43
CYH A  51
 None
FES  A3002 ( 4.8A)
FES  A3002 (-3.9A)
FES  A3002 (-2.3A)
FES  A3002 (-2.2A)
 1.13A 4c5lC-4yswA:
undetectable		 4c5lC-4yswA:
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.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4zoh PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT
(Sulfurisphaera
tokodaii) 		5 / 10 GLY C 138
ALA C  54
GLY C  53
CYH C  47
CYH C  55
 None
None
FES  C 201 (-3.9A)
FES  C 201 (-2.3A)
FES  C 201 (-2.2A)
 1.24A 4c5lC-4zohC:
undetectable		 4c5lC-4zohC:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN
(Oligotropha
carboxidovorans) 		5 / 10 GLY A 134
ALA A  49
GLY A  48
CYH A  42
CYH A  50
 None
None
FES  A4908 (-3.9A)
FES  A4908 (-2.3A)
FES  A4908 (-2.2A)
 1.17A 4c5nD-1n60A:
undetectable		 4c5nD-1n60A:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CP3_B_RBTB1129_1
(B-CELL LYMPHOMA 6
PROTEIN)		 1jq4 METHANE
MONOOXYGENASE
COMPONENT C
(Methylococcus
capsulatus) 		4 / 7 LEU A  61
ARG A  83
GLY A  46
SER A  65
 None
None
FES  A  99 (-4.6A)
None
 0.93A 4cp3A-1jq4A:
0.0
4cp3B-1jq4A:
0.0		 4cp3A-1jq4A:
26.02
4cp3B-1jq4A:
26.02
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.
4FO4_B_MOAB502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN
(Oligotropha
carboxidovorans) 		4 / 8 SER B 215
ASN B 273
GLY B 269
GLY A  41
 None
None
MCN  B4920 ( 3.7A)
FES  A4908 (-4.3A)
 0.74A 4fo4B-1n60B:
undetectable		 4fo4B-1n60B:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FO4_B_MOAB502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 3hrd NICOTINATE
DEHYDROGENASE
FAD-SUBUNIT
NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT
(Eubacterium
barkeri) 		4 / 8 GLY D  45
CYH D  63
THR D  60
GLY C  32
 FES  D 908 ( 3.2A)
FAD  C 900 ( 3.9A)
FES  D 908 (-4.2A)
FAD  C 900 (-3.4A)
 0.75A 4fo4B-3hrdD:
undetectable		 4fo4B-3hrdD:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)		 2num UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT
(Rhodobacter
sphaeroides) 		5 / 12 SER A 154
ILE A 162
GLY A 160
PHE A 156
ALA A  98
 FES  A 200 (-3.1A)
None
None
None
None
 0.97A 4foxD-2numA:
undetectable		 4foxD-2numA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FR0_A_SAMA401_0
(ARSENIC
METHYLTRANSFERASE)		 5ogx CYTOCHROME P450
REDUCTASE
(Amycolatopsis
methanolica) 		5 / 12 GLY A  41
GLY A  38
GLN A  76
ASN A  33
LEU A  45
 FES  A 402 (-3.7A)
FES  A 402 (-3.4A)
None
None
NA  A 403 ( 4.9A)
 1.09A 4fr0A-5ogxA:
5.5		 4fr0A-5ogxA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HLA_A_017A200_2
(PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 11 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.89A 4hlaB-5g5gA:
undetectable		 4hlaB-5g5gA:
24.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		 1ffv CUTS, IRON-SULFUR
PROTEIN OF CARBON
MONOXIDE
DEHYDROGENASE
(Hydrogenophaga
pseudoflava) 		5 / 12 CYH A 104
PRO A 106
GLY A  48
ASN A 134
ILE A  40
 FES  A1907 (-2.2A)
None
FES  A1908 (-3.7A)
None
FES  A1908 ( 4.4A)
 1.45A 4kosA-1ffvA:
0.0		 4kosA-1ffvA:
24.44
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.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		 1n60 CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN
(Oligotropha
carboxidovorans) 		5 / 12 CYH A 105
PRO A 107
GLY A  48
ASN A 135
ILE A  40
 FES  A4907 (-2.2A)
None
FES  A4908 (-3.9A)
None
FES  A4908 (-4.4A)
 1.45A 4kosA-1n60A:
undetectable		 4kosA-1n60A:
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.
4KQI_A_NIOA403_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 3hrd NICOTINATE
DEHYDROGENASE
FAD-SUBUNIT
NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT
(Eubacterium
barkeri) 		5 / 9 THR D  60
GLY D  45
GLY C 109
LEU C 108
GLY C  33
 FES  D 908 (-4.2A)
FES  D 908 ( 3.2A)
FAD  C 900 ( 3.8A)
None
FAD  C 900 (-3.3A)
 0.95A 4kqiA-3hrdD:
undetectable		 4kqiA-3hrdD:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L6V_1_PQN12001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
FUSION PROTEIN OF
PHOTOSYSTEM I
SUBUNIT III AND
SUBUNIT IX)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 11 SER A 111
GLY A 114
ARG A 793
GLY A1039
ALA A1053
 FES  A3001 ( 4.9A)
FES  A3001 (-4.0A)
None
MTE  A3003 (-3.7A)
None
 1.16A 4l6v1-1n5xA:
undetectable
4l6v6-1n5xA:
undetectable		 4l6v1-1n5xA:
19.91
4l6v6-1n5xA:
6.74
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.
4LL3_A_017A201_2
(PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 10 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.80A 4ll3B-5g5gA:
undetectable		 4ll3B-5g5gA:
25.41
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.
4LL3_A_017A202_1
(PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 10 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.80A 4ll3A-5g5gA:
undetectable		 4ll3A-5g5gA:
25.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MK4_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3aqi FERROCHELATASE
(Homo
sapiens) 		7 / 8 MET A  99
PRO A 266
SER A 268
VAL A 269
ARG A 272
VAL A 305
GLY A 306
 CHD  A   2 (-4.0A)
CHD  A   2 ( 4.5A)
CHD  A   2 ( 4.4A)
None
FES  A 501 (-4.1A)
CHD  A   1 ( 4.9A)
CHD  A   2 ( 3.8A)
 0.33A 4mk4A-3aqiA:
59.3		 4mk4A-3aqiA:
99.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OBW_A_SAMA602_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
(Thermus
thermophilus) 		5 / 12 ASN 1 343
GLY 1  99
SER 1 295
ILE 1 254
GLY 1 262
 None
FES  2 182 ( 4.8A)
None
None
None
 0.99A 4obwA-3i9v1:
2.6		 4obwA-3i9v1:
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.
4OBW_C_SAMC601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
(Thermus
thermophilus) 		5 / 12 ASN 1 343
GLY 1  99
SER 1 295
ILE 1 254
GLY 1 262
 None
FES  2 182 ( 4.8A)
None
None
None
 1.07A 4obwC-3i9v1:
undetectable		 4obwC-3i9v1:
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.
4OR0_B_NPSB602_1
(SERUM ALBUMIN)		 1yq3 SUCCINATE
DEHYDROGENASE IP
SUBUNIT
(Gallus
gallus) 		5 / 9 ALA B 162
ALA B 182
LEU B 229
LEU B 160
SER B  72
 None
SF4  B1003 ( 3.7A)
SF4  B1003 ( 4.7A)
None
FES  B1002 ( 4.6A)
 1.13A 4or0B-1yq3B:
undetectable		 4or0B-1yq3B:
19.04
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.
4P6X_G_HCYG900_2
(GLUCOCORTICOID
RECEPTOR)		 1krh BENZOATE
1,2-DIOXYGENASE
REDUCTASE
(Acinetobacter
sp.) 		3 / 3 LEU A  26
MET A  39
TYR A  79
 None
FES  A 500 (-3.8A)
None
 0.66A 4p6xG-1krhA:
undetectable		 4p6xG-1krhA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PAE_A_NIZA804_1
(CATALASE-PEROXIDASE)		 1g8k ARSENITE OXIDASE
(Alcaligenes
faecalis) 		4 / 6 ASP B 101
TYR B  56
LEU B 102
THR B  83
 None
None
None
FES  B5006 (-3.8A)
 1.29A 4paeA-1g8kB:
undetectable		 4paeA-1g8kB:
10.40
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.
4PM5_A_CE3A301_2
(BETA-LACTAMASE
CTX-M-14)		 5ze4 DIHYDROXY-ACID
DEHYDRATASE,
CHLOROPLASTIC
(Arabidopsis
thaliana) 		3 / 3 CYH A  66
PRO A 137
ASP A 140
 FES  A 601 (-2.3A)
None
MG  A 606 ( 3.0A)
 1.01A 4pm5A-5ze4A:
undetectable		 4pm5A-5ze4A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RVJ_B_478B101_2
(HIV-1 PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 9 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.90A 4rvjB-5g5gA:
undetectable		 4rvjB-5g5gA:
24.72
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.
4RVJ_D_478D101_2
(HIV-1 PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 9 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.88A 4rvjD-5g5gA:
undetectable		 4rvjD-5g5gA:
24.72
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.
4S0V_A_SUVA2001_2
(HUMAN OREXIN
RECEPTOR TYPE 2
FUSION PROTEIN TO P.
ABYSII GLYCOGEN
SYNTHASE)		 1q90 CYTOCHROME B6
CYTOCHROME B6-F
COMPLEX IRON-SULFUR
SUBUNIT
(Chlamydomonas
reinhardtii) 		4 / 5 ILE B 165
PRO B 155
HIS C 155
VAL B 175
 TDS  D 920 ( 4.7A)
TDS  D 920 ( 4.7A)
FES  C 210 ( 3.0A)
None
 1.35A 4s0vA-1q90B:
6.0		 4s0vA-1q90B:
17.70
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.
4TVT_A_ASCA303_0
(THAUMATIN-1)		 1l5p FERREDOXIN
(Trichomonas
vaginalis) 		4 / 7 LEU A  76
GLU A  63
ILE A  80
VAL A  56
 FES  A  94 ( 4.4A)
None
None
None
 1.21A 4tvtA-1l5pA:
0.9		 4tvtA-1l5pA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UYM_A_VORA590_1
(14-ALPHA STEROL
DEMETHYLASE)		 4aay AROB
(Rhizobium
sp.
NT-26) 		4 / 7 ALA B 141
SER B 126
LEU B 145
PHE B 128
 None
FES  B2006 (-2.9A)
None
None
 1.07A 4uymA-4aayB:
undetectable		 4uymA-4aayB:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V20_A_ACTA1444_0
(CELLOBIOHYDROLASE)		 1ffv CUTS, IRON-SULFUR
PROTEIN OF CARBON
MONOXIDE
DEHYDROGENASE
CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE
(Hydrogenophaga
pseudoflava;
Hydrogenophaga
pseudoflava) 		4 / 5 GLY A 102
THR A 105
HIS A  39
GLY B  33
 FES  A1907 (-4.3A)
None
None
None
 1.16A 4v20A-1ffvA:
0.0		 4v20A-1ffvA:
16.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V20_A_ACTA1444_0
(CELLOBIOHYDROLASE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN
CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
(Oligotropha
carboxidovorans;
Oligotropha
carboxidovorans) 		4 / 5 GLY A 103
THR A 106
HIS A  39
GLY B  36
 FES  A4907 (-4.1A)
None
None
None
 1.13A 4v20A-1n60A:
undetectable		 4v20A-1n60A:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4W5N_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		 3fah ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
gigas) 		3 / 3 VAL A  38
ALA A 197
PHE A 102
 FES  A 909 ( 3.7A)
None
None
 0.92A 4w5nA-3fahA:
undetectable		 4w5nA-3fahA:
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.
4X3M_A_ADNA301_1
(RNA 2'-O RIBOSE
METHYLTRANSFERASE)		 3fah ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
gigas) 		5 / 9 LEU A  85
ILE A  76
SER A 104
VAL A 186
THR A 190
 None
None
FES  A 908 ( 4.7A)
None
None
 1.30A 4x3mA-3fahA:
undetectable		 4x3mA-3fahA:
15.54
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.
4X61_A_SAMA701_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		 1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT
4-HYDROXYBENZOYL-COA
REDUCTASE GAMMA
SUBUNIT
(Thauera
aromatica;
Thauera
aromatica) 		5 / 12 GLY C  43
LEU C  59
ASN A 690
MET A 191
ARG C 136
 None
FES  C1908 ( 4.2A)
None
None
None
 1.28A 4x61A-1sb3C:
undetectable		 4x61A-1sb3C:
12.36
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.
4XTA_A_DIFA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		4 / 9 CYH A  48
ALA A  32
LEU A  69
LEU C  37
 FES  A4908 (-2.4A)
None
None
None
 0.89A 4xtaA-1t3qA:
undetectable		 4xtaA-1t3qA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XV2_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2hu9 MERCURIC TRANSPORT
PROTEIN PERIPLASMIC
COMPONENT
(Archaeoglobus
fulgidus) 		4 / 4 GLY A 104
VAL A  80
PHE A  92
ILE A 100
 FES  A 131 (-3.5A)
None
None
None
 1.16A 4xv2B-2hu9A:
undetectable		 4xv2B-2hu9A:
17.63
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.
5AXD_A_RBVA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE
ARSENITE OXIDASE
SMALL SUBUNIT AIOB
RIESKE [2FE-2S]
CLUSTER
(Rhizobium
sp.
NT-26) 		3 / 3 THR A 782
HIS B 124
LEU A 240
 None
FES  B 201 (-3.3A)
None
 0.73A 5axdA-5nqdA:
undetectable		 5axdA-5nqdA:
12.70
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.
5BS8_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3zyv AOX3
(Mus
musculus) 		4 / 7 ARG A 429
ALA A 431
GLY A 346
THR A  75
 FAD  A3005 ( 4.9A)
None
None
FES  A3002 ( 4.3A)
 0.85A 5bs8A-3zyvA:
undetectable
5bs8C-3zyvA:
undetectable
5bs8D-3zyvA:
undetectable		 5bs8A-3zyvA:
16.25
5bs8C-3zyvA:
16.25
5bs8D-3zyvA:
11.85
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.
5BTG_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 3zyv AOX3
(Mus
musculus) 		4 / 6 ALA A 431
GLY A 346
THR A  75
ARG A 429
 None
None
FES  A3002 ( 4.3A)
FAD  A3005 ( 4.9A)
 0.82A 5btgA-3zyvA:
undetectable
5btgB-3zyvA:
undetectable
5btgC-3zyvA:
undetectable		 5btgA-3zyvA:
16.25
5btgB-3zyvA:
11.85
5btgC-3zyvA:
16.25
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.
5CDN_G_EVPG2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 3zyv AOX3
(Mus
musculus) 		4 / 6 GLU A 107
GLY A1044
ARG A 798
GLY A 118
 None
MTE  A3003 (-3.8A)
None
FES  A3001 (-4.4A)
 0.89A 5cdnA-3zyvA:
undetectable
5cdnB-3zyvA:
undetectable		 5cdnA-3zyvA:
16.60
5cdnB-3zyvA:
9.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D0X_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 6c8v COENZYME PQQ
SYNTHESIS PROTEIN E
(Methylobacterium
extorquens) 		5 / 12 THR A 193
CYH A 323
ALA A 270
THR A 273
CYH A 268
 None
FES  A 501 (-2.7A)
FES  A 501 ( 4.5A)
None
FES  A 501 (-2.6A)
 1.28A 5d0xH-6c8vA:
undetectable
5d0xI-6c8vA:
undetectable		 5d0xH-6c8vA:
13.79
5d0xI-6c8vA:
14.63
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.
5D4N_A_ACTA202_0
(NITROGEN REGULATORY
PROTEIN P-II)		 3gce FERREDOXIN COMPONENT
OF CARBAZOLE
1,9A-DIOXYGENASE
(Nocardioides
aromaticivorans) 		4 / 4 VAL A  76
GLY A  77
ARG A  78
VAL A  62
 None
FES  A 201 (-3.9A)
None
None
 1.42A 5d4nA-3gceA:
undetectable
5d4nB-3gceA:
undetectable		 5d4nA-3gceA:
21.37
5d4nB-3gceA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_O_BEZO801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 4aay AROB
(Rhizobium
sp.
NT-26) 		4 / 6 PHE B 108
SER B 126
PRO B 122
LEU B 110
 None
FES  B2006 (-2.9A)
None
None
 1.45A 5dzka-4aayB:
undetectable
5dzko-4aayB:
undetectable		 5dzka-4aayB:
19.82
5dzko-4aayB:
2.50
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.
5E26_B_PAUB601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 1qlb FUMARATE REDUCTASE
IRON-SULFUR PROTEIN
(Wolinella
succinogenes) 		4 / 7 ALA B  76
GLY B  66
SER B  64
GLY B  63
 None
None
FES  B1240 ( 4.9A)
FES  B1240 (-4.0A)
 0.88A 5e26A-1qlbB:
undetectable
5e26B-1qlbB:
undetectable		 5e26A-1qlbB:
22.95
5e26B-1qlbB:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ECN_A_LEUA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 3dqy TOLUENE
1,2-DIOXYGENASE
SYSTEM FERREDOXIN
SUBUNIT
(Pseudomonas
putida) 		4 / 7 THR A  43
VAL A  75
LYS A  82
HIS A  44
 None
None
None
FES  A 107 (-3.2A)
 1.24A 5ecnA-3dqyA:
undetectable		 5ecnA-3dqyA:
11.11
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.
5EEZ_R_TRPR101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3zyv AOX3
(Mus
musculus) 		5 / 9 GLY A  50
THR A  56
THR A  75
ILE A 349
SER A 127
 FES  A3002 ( 3.1A)
None
FES  A3002 ( 4.3A)
FAD  A3005 ( 4.3A)
None
 1.50A 5eezQ-3zyvA:
undetectable
5eezR-3zyvA:
undetectable		 5eezQ-3zyvA:
4.62
5eezR-3zyvA:
4.62
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.
5EF1_R_TRPR101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3zyv AOX3
(Mus
musculus) 		5 / 9 GLY A  50
THR A  56
THR A  75
ILE A 349
SER A 127
 FES  A3002 ( 3.1A)
None
FES  A3002 ( 4.3A)
FAD  A3005 ( 4.3A)
None
 1.50A 5ef1Q-3zyvA:
undetectable
5ef1R-3zyvA:
undetectable		 5ef1Q-3zyvA:
4.62
5ef1R-3zyvA:
4.62
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.
5EF3_R_TRPR101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3zyv AOX3
(Mus
musculus) 		5 / 9 GLY A  50
THR A  56
THR A  75
ILE A 349
SER A 127
 FES  A3002 ( 3.1A)
None
FES  A3002 ( 4.3A)
FAD  A3005 ( 4.3A)
None
 1.50A 5ef3Q-3zyvA:
undetectable
5ef3R-3zyvA:
undetectable		 5ef3Q-3zyvA:
4.62
5ef3R-3zyvA:
4.62
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.
5EML_A_SAMA701_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		 1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT
4-HYDROXYBENZOYL-COA
REDUCTASE GAMMA
SUBUNIT
(Thauera
aromatica;
Thauera
aromatica) 		5 / 12 GLY C  43
LEU C  59
ASN A 690
MET A 191
ARG C 136
 None
FES  C1908 ( 4.2A)
None
None
None
 1.28A 5emlA-1sb3C:
undetectable		 5emlA-1sb3C:
12.36
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		 3d89 RIESKE
DOMAIN-CONTAINING
PROTEIN
(Mus
musculus) 		4 / 8 HIS A  59
GLY A  62
GLY A  61
HIS A  83
 FES  A 201 (-3.1A)
FES  A 201 (-3.9A)
FES  A 201 ( 4.6A)
FES  A 201 (-3.2A)
 0.76A 5f8yA-3d89A:
undetectable		 5f8yA-3d89A:
22.78
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		 4qdf 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		4 / 8 HIS B  70
GLY B  73
GLY B  72
HIS B  90
 FES  B 402 (-3.0A)
FES  B 402 (-4.0A)
FES  B 402 ( 4.7A)
FES  B 402 (-3.1A)
 0.77A 5f8yA-4qdfB:
undetectable		 5f8yA-4qdfB:
17.26
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.
5F8Y_B_X6XB201_1
(GALNAC/GAL-SPECIFIC
LECTIN)		 2zyl POSSIBLE
OXIDOREDUCTASE
(Mycobacterium
tuberculosis) 		4 / 8 HIS A  69
GLY A  72
GLY A  71
HIS A  89
 FES  A 451 (-3.2A)
FES  A 451 (-4.0A)
FES  A 451 ( 4.6A)
FES  A 451 (-3.1A)
 0.76A 5f8yB-2zylA:
undetectable		 5f8yB-2zylA:
17.36
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.
5F8Y_B_X6XB201_1
(GALNAC/GAL-SPECIFIC
LECTIN)		 3d89 RIESKE
DOMAIN-CONTAINING
PROTEIN
(Mus
musculus) 		4 / 8 HIS A  59
GLY A  62
GLY A  61
HIS A  83
 FES  A 201 (-3.1A)
FES  A 201 (-3.9A)
FES  A 201 ( 4.6A)
FES  A 201 (-3.2A)
 0.72A 5f8yB-3d89A:
undetectable		 5f8yB-3d89A:
22.78
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.
5F8Y_B_X6XB201_1
(GALNAC/GAL-SPECIFIC
LECTIN)		 4qdf 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE
(Rhodococcus
rhodochrous) 		4 / 8 HIS B  70
GLY B  73
GLY B  72
HIS B  90
 FES  B 402 (-3.0A)
FES  B 402 (-4.0A)
FES  B 402 ( 4.7A)
FES  B 402 (-3.1A)
 0.74A 5f8yB-4qdfB:
undetectable		 5f8yB-4qdfB:
17.26
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.
5FA8_A_SAMA301_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)		 5vj7 OXIDOREDUCTASE
FERREDOXIN-NADP(+)
REDUCTASE SUBUNIT
ALPHA
(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		3 / 3 THR A 251
ASP B 225
GLU A 270
 None
FES  B 302 (-2.5A)
None
 0.85A 5fa8A-5vj7A:
undetectable		 5fa8A-5vj7A:
16.63
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.
5FHZ_D_READ602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 5xtb NADH-UBIQUINONE
OXIDOREDUCTASE 75
KDA SUBUNIT,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 GLU M 118
GLY M 115
ASN M  74
CYH M 179
CYH M  64
 None
None
None
SF4  M 802 (-2.7A)
FES  M 803 (-3.2A)
 1.34A 5fhzD-5xtbM:
undetectable		 5fhzD-5xtbM:
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.
5HIE_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 1yq3 SUCCINATE
DEHYDROGENASE IP
SUBUNIT
(Gallus
gallus) 		4 / 7 ILE B  77
GLY B  80
PHE B 118
CYH B  85
 None
None
None
FES  B1002 (-2.2A)
 0.82A 5hieA-1yq3B:
undetectable		 5hieA-1yq3B:
20.90
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.
5HNZ_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		 2wp9 SUCCINATE
DEHYDROGENASE
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		5 / 12 ASP B  32
LEU B  65
ASP B  63
ALA B  38
PHE B   5
 None
None
FES  B 302 (-2.2A)
None
None
 1.18A 5hnzB-2wp9B:
undetectable		 5hnzB-2wp9B:
17.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HRQ_A_IPHA101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		 5xfa NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus) 		4 / 5 CYH B  69
CYH B  57
HIS B  45
HIS B  41
 FES  B 303 (-2.3A)
FES  B 303 (-2.2A)
None
None
 1.47A 5hrqA-5xfaB:
undetectable
5hrqB-5xfaB:
undetectable
5hrqF-5xfaB:
undetectable		 5hrqA-5xfaB:
6.91
5hrqB-5xfaB:
11.31
5hrqF-5xfaB:
11.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5INZ_D_DVAD15_0
(THETA DEFENSIN-2,
D-PEPTIDE
THETA DEFENSIN-2,
L-PEPTIDE)		 5l7l ELP3 FAMILY, ELP3
FAMILY
(Dehalococcoides
mccartyi) 		3 / 3 GLY A  25
CYH A  30
CYH A  27
 None
FES  A 502 (-2.3A)
FES  A 502 (-2.3A)
 0.85A 5inzB-5l7lA:
undetectable		 5inzB-5l7lA:
5.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J4N_A_AG2A501_1
(ARGININE/AGMATINE
ANTIPORTER)		 3zyv AOX3
(Mus
musculus) 		4 / 6 SER A  73
GLY A  53
ASN A 150
ILE A 349
 None
FES  A3002 (-3.9A)
None
FAD  A3005 ( 4.3A)
 1.08A 5j4nA-3zyvA:
undetectable		 5j4nA-3zyvA:
17.26
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.
5JWA_H_ACTH612_0
(NADH DEHYDROGENASE,
PUTATIVE)		 1r30 BIOTIN SYNTHASE
(Escherichia
coli) 		3 / 3 ARG A 260
PRO A 220
ASN A 153
 FES  A 402 (-2.5A)
DTB  A 502 ( 4.7A)
DTB  A 502 ( 3.7A)
 0.98A 5jwaA-1r30A:
undetectable
5jwaH-1r30A:
undetectable		 5jwaA-1r30A:
20.42
5jwaH-1r30A:
20.42
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.
5L5Z_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 6c8v COENZYME PQQ
SYNTHESIS PROTEIN E
(Methylobacterium
extorquens) 		5 / 12 THR A 193
CYH A 323
ALA A 270
THR A 273
CYH A 268
 None
FES  A 501 (-2.7A)
FES  A 501 ( 4.5A)
None
FES  A 501 (-2.6A)
 1.29A 5l5zH-6c8vA:
undetectable
5l5zI-6c8vA:
undetectable		 5l5zH-6c8vA:
13.79
5l5zI-6c8vA:
14.63
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.
5L5Z_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 6c8v COENZYME PQQ
SYNTHESIS PROTEIN E
(Methylobacterium
extorquens) 		5 / 12 THR A 193
CYH A 323
ALA A 270
THR A 273
CYH A 268
 None
FES  A 501 (-2.7A)
FES  A 501 ( 4.5A)
None
FES  A 501 (-2.6A)
 1.29A 5l5zV-6c8vA:
undetectable
5l5zW-6c8vA:
undetectable		 5l5zV-6c8vA:
13.79
5l5zW-6c8vA:
14.63
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.
5MLM_A_STRA401_1
(-)		 2de6 FERREDOXIN COMPONENT
OF CARBAZOLE
(Pseudomonas
resinovorans) 		5 / 12 ILE D  19
ALA D  71
ILE D  63
CYH D  65
PRO D  66
 None
None
None
FES  D 201 (-2.3A)
None
 1.23A 5mlmA-2de6D:
undetectable		 5mlmA-2de6D:
13.63
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.
5OG9_A_TESA503_1
(-)		 1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE
CUTM, FLAVOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE
CUTS, IRON-SULFUR
PROTEIN OF CARBON
MONOXIDE
DEHYDROGENASE
(Hydrogenophaga
pseudoflava) 		5 / 9 LEU B 722
VAL B 299
ILE A  40
LEU B 214
MET C   1
 None
None
FES  A1908 ( 4.4A)
FES  A1907 ( 4.3A)
None
 1.36A 5og9A-1ffvB:
0.0		 5og9A-1ffvB:
19.53
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.
5SXQ_A_NIZA808_1
(CATALASE-PEROXIDASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 8 GLU A  45
GLY A  42
LEU A 744
THR A 746
 None
FES  A3002 (-4.0A)
FES  A3001 (-4.0A)
None
 0.96A 5sxqA-1n5xA:
undetectable		 5sxqA-1n5xA:
20.61
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.
5SXQ_A_NIZA808_1
(CATALASE-PEROXIDASE)		 3zyv AOX3
(Mus
musculus) 		4 / 8 GLU A1042
GLY A 118
GLN A 116
THR A 115
 None
FES  A3001 (-4.4A)
MTE  A3003 (-4.0A)
None
 0.99A 5sxqA-3zyvA:
undetectable		 5sxqA-3zyvA:
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.
5SXT_A_NIZA807_1
(CATALASE-PEROXIDASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 8 GLU A  45
GLY A  42
LEU A 744
THR A 746
 None
FES  A3002 (-4.0A)
FES  A3001 (-4.0A)
None
 0.96A 5sxtA-1n5xA:
1.2		 5sxtA-1n5xA:
20.61
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.
5SXT_A_NIZA807_1
(CATALASE-PEROXIDASE)		 3zyv AOX3
(Mus
musculus) 		4 / 8 GLU A1042
GLY A 118
GLN A 116
THR A 115
 None
FES  A3001 (-4.4A)
MTE  A3003 (-4.0A)
None
 0.99A 5sxtA-3zyvA:
undetectable		 5sxtA-3zyvA:
19.96
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.
5SXT_B_NIZB808_1
(CATALASE-PEROXIDASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 8 GLU A  45
GLY A  42
LEU A 744
THR A 746
 None
FES  A3002 (-4.0A)
FES  A3001 (-4.0A)
None
 0.97A 5sxtB-1n5xA:
undetectable		 5sxtB-1n5xA:
20.61
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.
5SXT_B_NIZB808_1
(CATALASE-PEROXIDASE)		 3zyv AOX3
(Mus
musculus) 		4 / 8 GLU A1042
GLY A 118
GLN A 116
THR A 115
 None
FES  A3001 (-4.4A)
MTE  A3003 (-4.0A)
None
 0.96A 5sxtB-3zyvA:
undetectable		 5sxtB-3zyvA:
19.96
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.
5SYJ_B_NIZB809_1
(CATALASE-PEROXIDASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 8 GLU A  45
GLY A  42
LEU A 744
THR A 746
 None
FES  A3002 (-4.0A)
FES  A3001 (-4.0A)
None
 0.96A 5syjB-1n5xA:
undetectable		 5syjB-1n5xA:
20.61
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.
5T2Z_B_017B201_1
(PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 12 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.81A 5t2zA-5g5gA:
undetectable		 5t2zA-5g5gA:
22.60
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.
5T8H_B_478B401_1
(PROTEASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		5 / 12 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.80A 5t8hA-5g5gA:
undetectable		 5t8hA-5g5gA:
23.12
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.
5UUN_B_ACTB307_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 1l5p FERREDOXIN
(Trichomonas
vaginalis) 		3 / 3 LEU A  76
ALA A  77
LEU A  67
 FES  A  94 ( 4.4A)
None
None
 0.36A 5uunB-1l5pA:
undetectable		 5uunB-1l5pA:
15.70
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.
5UXC_A_ZITA307_1
(PREDICTED
AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 1fqt RIESKE-TYPE
FERREDOXIN OF
BIPHENYL DIOXYGENASE
(Paraburkholderia
xenovorans) 		4 / 5 ASP A  47
PRO A  82
GLU A  84
THR A  44
 None
FES  A1001 ( 4.4A)
GOL  A 901 (-4.0A)
None
 1.48A 5uxcA-1fqtA:
0.0		 5uxcA-1fqtA:
17.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCG_A_08YA602_2
(CYTOCHROME P450 3A4)		 5xfa NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus) 		3 / 3 ARG A 332
ARG B 161
ARG B  55
 None
None
FES  B 303 (-4.8A)
 1.02A 5vcgA-5xfaA:
undetectable		 5vcgA-5xfaA:
21.55
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.
5VIM_A_SAMA301_0
(METHYLTRANSFERASE)		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT BETA
(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		5 / 12 GLY L 250
GLY S 229
VAL L 260
PHE L 356
ILE L 401
 None
FES  S 501 (-3.9A)
None
None
None
 0.94A 5vimA-5jfcL:
3.8		 5vimA-5jfcL:
21.24
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.
5VIM_B_SAMB301_0
(METHYLTRANSFERASE)		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT BETA
(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		5 / 12 GLY L 250
GLY S 229
VAL L 260
PHE L 356
ILE L 401
 None
FES  S 501 (-3.9A)
None
None
None
 0.93A 5vimB-5jfcL:
3.8		 5vimB-5jfcL:
21.24
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.
5XOO_A_ADNA506_1
(GLYCOSAMINOGLYCAN
XYLOSYLKINASE)		 1e0z FERREDOXIN
(Halobacterium
salinarum) 		4 / 6 LEU A 100
LYS A  96
GLU A  92
LEU A  88
 FES  A 130 (-4.4A)
None
None
None
 1.32A 5xooA-1e0zA:
undetectable		 5xooA-1e0zA:
23.14
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.
6AYC_A_1YNA502_2
(PROTEIN CYP51)		 4wqm TOLUENE-4-MONOOXYGEN
ASE ELECTRON
TRANSFER COMPONENT
(Pseudomonas
mendocina) 		4 / 7 LEU A  74
PHE A  73
PHE A  13
LEU A  21
 FES  A 401 ( 4.1A)
None
None
None
 0.97A 6aycA-4wqmA:
undetectable		 6aycA-4wqmA:
12.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B0C_D_TA1D502_1
(TUBULIN BETA CHAIN)		 1fiq XANTHINE OXIDASE
(Bos
taurus) 		5 / 12 LEU A  55
SER A 123
LEU A  26
THR A  25
GLY A  46
 None
None
None
None
FES  A 602 ( 3.1A)
 0.98A 6b0cD-1fiqA:
undetectable		 6b0cD-1fiqA:
16.26
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.
6B0C_D_TA1D502_1
(TUBULIN BETA CHAIN)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 12 LEU A  55
SER A 123
LEU A  26
THR A  25
GLY A  46
 None
None
None
None
FES  A3002 ( 3.1A)
 1.01A 6b0cD-1n5xA:
undetectable		 6b0cD-1n5xA:
4.91
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.
6B0C_D_TA1D502_1
(TUBULIN BETA CHAIN)		 3nvy XANTHINE
DEHYDROGENASE/OXIDAS
E
(Bos
taurus) 		5 / 12 LEU A  55
SER A 123
LEU A  26
THR A  25
GLY A  46
 None
None
None
None
FES  A 602 ( 3.2A)
 0.95A 6b0cD-3nvyA:
undetectable		 6b0cD-3nvyA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BAA_E_GBME2001_1
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)		 5y6q ALDEHYDE OXIDASE
MEDIUM SUBUNIT
ALDEHYDE OXIDASE
SMALL SUBUNIT
(Methylobacillus
sp.
KY4400) 		5 / 12 TYR B 239
MET B 105
THR A  52
LEU A  61
ARG B 236
 FAD  B 401 (-4.8A)
None
None
FES  A 201 ( 4.3A)
None
 1.28A 6baaE-5y6qB:
undetectable		 6baaE-5y6qB:
3.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BAA_F_GBMF2001_1
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)		 5y6q ALDEHYDE OXIDASE
MEDIUM SUBUNIT
ALDEHYDE OXIDASE
SMALL SUBUNIT
(Methylobacillus
sp.
KY4400) 		5 / 12 TYR B 239
MET B 105
THR A  52
LEU A  61
ARG B 236
 FAD  B 401 (-4.8A)
None
None
FES  A 201 ( 4.3A)
None
 1.28A 6baaF-5y6qB:
undetectable		 6baaF-5y6qB:
3.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BAA_G_GBMG2001_1
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)		 5y6q ALDEHYDE OXIDASE
MEDIUM SUBUNIT
ALDEHYDE OXIDASE
SMALL SUBUNIT
(Methylobacillus
sp.
KY4400) 		5 / 12 TYR B 239
MET B 105
THR A  52
LEU A  61
ARG B 236
 FAD  B 401 (-4.8A)
None
None
FES  A 201 ( 4.3A)
None
 1.29A 6baaG-5y6qB:
undetectable		 6baaG-5y6qB:
3.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BAA_H_GBMH2001_1
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)		 5y6q ALDEHYDE OXIDASE
MEDIUM SUBUNIT
ALDEHYDE OXIDASE
SMALL SUBUNIT
(Methylobacillus
sp.
KY4400) 		5 / 12 TYR B 239
MET B 105
THR A  52
LEU A  61
ARG B 236
 FAD  B 401 (-4.8A)
None
None
FES  A 201 ( 4.3A)
None
 1.28A 6baaH-5y6qB:
undetectable		 6baaH-5y6qB:
3.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BQ4_B_ADNB401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN
(Oligotropha
carboxidovorans) 		6 / 12 GLN B 221
GLY A  41
ASP B  42
VAL B 298
ALA A  49
LEU B 217
 None
FES  A4908 (-4.3A)
None
None
None
FES  A4907 ( 4.1A)
 1.36A 6bq4B-1n60B:
undetectable		 6bq4B-1n60B:
7.74
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.
6CZM_E_HISE402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE GAMMA
SUBUNIT
(Thauera
aromatica) 		5 / 9 LEU C  25
GLY C 106
THR C  75
VAL C  51
CYH C  49
 None
None
None
None
FES  C1908 (-2.3A)
 1.31A 6czmD-1sb3C:
undetectable
6czmE-1sb3C:
undetectable		 6czmD-1sb3C:
20.18
6czmE-1sb3C:
20.18
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.
6CZM_E_HISE402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 3zyv AOX3
(Mus
musculus) 		5 / 9 LEU A  31
GLY A 123
THR A  91
VAL A  57
CYH A  55
 None
None
None
None
FES  A3002 (-2.2A)
 1.27A 6czmD-3zyvA:
undetectable
6czmE-3zyvA:
undetectable		 6czmD-3zyvA:
14.07
6czmE-3zyvA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CZM_E_HISE402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 5epg ALDEHYDE OXIDASE
(Homo
sapiens) 		5 / 9 LEU A  28
GLY A 120
THR A  88
VAL A  54
CYH A  52
 None
None
None
None
FES  A3002 (-2.1A)
 1.28A 6czmD-5epgA:
undetectable
6czmE-5epgA:
undetectable		 6czmD-5epgA:
14.88
6czmE-5epgA:
14.88
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.
6DM0_B_CYZB1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 2n0s FE-HYDROGENASE
FERREDOXIN,
CHLOROPLASTIC
(Chlamydomonas
reinhardtii;
Chlamydomonas
reinhardtii) 		5 / 10 SER B  44
LEU B  33
ASP B  32
PRO A 378
GLY A 383
 None
None
None
FES  B 101 ( 4.4A)
None
 1.14A 6dm0B-2n0sB:
undetectable
6dm0C-2n0sB:
undetectable		 6dm0B-2n0sB:
19.77
6dm0C-2n0sB:
19.77
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.
6DM0_D_CYZD1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 2n0s FE-HYDROGENASE
FERREDOXIN,
CHLOROPLASTIC
(Chlamydomonas
reinhardtii;
Chlamydomonas
reinhardtii) 		5 / 9 PRO A 378
GLY A 383
SER B  44
LEU B  33
ASP B  32
 FES  B 101 ( 4.4A)
None
None
None
None
 1.14A 6dm0A-2n0sA:
undetectable
6dm0D-2n0sA:
undetectable		 6dm0A-2n0sA:
9.48
6dm0D-2n0sA:
9.48
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.
6F8C_A_STRA502_1
(CYTOCHROME P450
CYP260A1)		 3nvy XANTHINE
DEHYDROGENASE/OXIDAS
E
(Bos
taurus) 		4 / 6 ALA A  50
THR A 151
ILE A 156
PHE A 160
 FES  A 602 ( 4.7A)
FES  A 601 ( 4.7A)
None
None
 0.89A 6f8cA-3nvyA:
undetectable		 6f8cA-3nvyA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GTQ_B_ACTB207_0
(DUF1778
DOMAIN-CONTAINING
PROTEIN
N-ACETYLTRANSFERASE)		 1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT
4-HYDROXYBENZOYL-COA
REDUCTASE GAMMA
SUBUNIT
(Thauera
aromatica;
Thauera
aromatica) 		4 / 6 LEU A 241
CYH C 100
GLY A 244
ARG A 248
 None
FES  C1907 (-2.1A)
PCD  A1920 (-3.6A)
None
 1.19A 6gtqB-1sb3A:
undetectable
6gtqD-1sb3A:
undetectable		 6gtqB-1sb3A:
12.95
6gtqD-1sb3A:
5.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GTQ_B_ACTB207_0
(DUF1778
DOMAIN-CONTAINING
PROTEIN
N-ACETYLTRANSFERASE)		 1su7 CARBON MONOXIDE
DEHYDROGENASE 2
(Carboxydothermus
hydrogenoformans) 		4 / 6 LEU A  46
THR A  44
CYH A  47
GLY A  40
 None
None
FES  A 638 (-2.2A)
None
 1.18A 6gtqB-1su7A:
undetectable
6gtqD-1su7A:
undetectable		 6gtqB-1su7A:
13.25
6gtqD-1su7A:
5.85
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.
6HD4_A_STIA604_1
(TYROSINE-PROTEIN
KINASE ABL1)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida;
Pseudomonas
putida) 		4 / 5 VAL A 133
PHE A 109
MET B 201
GLY A  47
 None
None
None
FES  A4908 (-4.2A)
 1.33A 6hd4A-1t3qA:
undetectable		 6hd4A-1t3qA:
17.90
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.
6MDQ_A_TESA605_0
(SERUM ALBUMIN)		 2wlb ELECTRON TRANSFER
PROTEIN 1,
MITOCHONDRIAL
(Schizosaccharomy
ces
pombe) 		4 / 8 GLY A 558
GLY A 601
LEU A 542
GLU A 553
 FES  A 619 (-4.1A)
None
None
None
 0.84A 6mdqA-2wlbA:
undetectable		 6mdqA-2wlbA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MDQ_A_TESA605_0
(SERUM ALBUMIN)		 3ah7 [2FE-2S]FERREDOXIN
(Pseudomonas
putida) 		4 / 8 GLY A  43
GLY A  85
LEU A  27
GLU A  38
 FES  A 201 (-3.5A)
None
None
NA  A 202 (-3.6A)
 0.77A 6mdqA-3ah7A:
undetectable		 6mdqA-3ah7A:
18.49
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.
7DFR_A_FOLA161_1
(DIHYDROFOLATE
REDUCTASE)		 3aqi FERROCHELATASE
(Homo
sapiens) 		3 / 3 ASP A  95
LEU A  98
ARG A 272
 None
CHD  A   1 (-4.3A)
FES  A 501 (-4.1A)
 0.83A 7dfrA-3aqiA:
undetectable		 7dfrA-3aqiA:
18.05