SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3t2y'

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.
1RI4_A_SAMA299_0
(MRNA CAPPING ENZYME)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 GLY A  10
GLY A  12
ALA A  17
SER A  34
PHE A  41
 FAD  A 500 (-3.1A)
FAD  A 500 (-3.7A)
None
FAD  A 500 (-3.4A)
None
 1.10A 1ri4A-3t2yA:
2.8		 1ri4A-3t2yA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RL8_A_RITA9001_2
(PROTEASE RETROPEPSIN)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.72A 1rl8B-3t2yA:
undetectable		 1rl8B-3t2yA:
13.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVS_B_MK1B902_1
(POL POLYPROTEIN)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.73A 2avsA-3t2yA:
undetectable		 2avsA-3t2yA:
12.65
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.
2AVV_A_MK1A901_1
(POL POLYPROTEIN)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.70A 2avvA-3t2yA:
undetectable		 2avvA-3t2yA:
12.41
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.
2AVV_E_MK1E902_3
(POL POLYPROTEIN)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.73A 2avvE-3t2yA:
undetectable		 2avvE-3t2yA:
12.41
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.
2E5D_A_NCAA1501_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		4 / 7 ALA A  59
ARG A  55
ASP A  37
TYR A  38
 None
 1.14A 2e5dA-3t2yA:
undetectable
2e5dB-3t2yA:
undetectable		 2e5dA-3t2yA:
22.12
2e5dB-3t2yA:
22.12
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.
2E5D_B_NCAB1502_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		4 / 7 ASP A  37
TYR A  38
ALA A  59
ARG A  55
 None
 1.13A 2e5dA-3t2yA:
undetectable
2e5dB-3t2yA:
undetectable		 2e5dA-3t2yA:
22.12
2e5dB-3t2yA:
22.12
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.
2F8G_B_017B401_2
(POL POLYPROTEIN)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.74A 2f8gB-3t2yA:
undetectable		 2f8gB-3t2yA:
12.65
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.
2IDW_B_017B401_2
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 9 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.71A 2idwB-3t2yA:
undetectable		 2idwB-3t2yA:
12.44
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.
2IEN_B_017B402_1
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.75A 2ienA-3t2yA:
undetectable		 2ienA-3t2yA:
12.41
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.
2NMZ_B_ROCB401_3
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.69A 2nmzB-3t2yA:
undetectable		 2nmzB-3t2yA:
12.44
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.
2PYM_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.77A 2pymA-3t2yA:
undetectable		 2pymA-3t2yA:
12.62
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.
2PYM_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.78A 2pymB-3t2yA:
undetectable		 2pymB-3t2yA:
12.62
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.
2PYN_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.76A 2pynA-3t2yA:
undetectable		 2pynA-3t2yA:
13.62
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.
2PYN_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.76A 2pynB-3t2yA:
undetectable		 2pynB-3t2yA:
13.62
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.
2Q63_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.78A 2q63B-3t2yA:
undetectable		 2q63B-3t2yA:
12.11
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.
2Q64_B_1UNB1001_1
(PROTEASE RETROPEPSIN)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.71A 2q64A-3t2yA:
undetectable		 2q64A-3t2yA:
13.08
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.
2Q64_B_1UNB1001_3
(PROTEASE RETROPEPSIN)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.69A 2q64B-3t2yA:
undetectable		 2q64B-3t2yA:
13.08
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.
2QAK_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.72A 2qakA-3t2yA:
undetectable		 2qakA-3t2yA:
12.11
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.
2QAK_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.78A 2qakB-3t2yA:
undetectable		 2qakB-3t2yA:
12.11
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.
2RKG_B_AB1B501_1
(PROTEASE RETROPEPSIN)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.78A 2rkgA-3t2yA:
undetectable		 2rkgA-3t2yA:
14.32
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.
2V2G_A_BEZA1222_0
(PEROXIREDOXIN 6)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		4 / 7 THR A 312
PRO A 313
VAL A 314
GLU A 193
 None
 0.88A 2v2gA-3t2yA:
undetectable
2v2gB-3t2yA:
undetectable		 2v2gA-3t2yA:
19.59
2v2gB-3t2yA:
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.
2V2G_B_BEZB1220_0
(PEROXIREDOXIN 6)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		4 / 7 THR A 312
PRO A 313
VAL A 314
GLU A 193
 None
 0.88A 2v2gA-3t2yA:
undetectable
2v2gB-3t2yA:
undetectable		 2v2gA-3t2yA:
19.59
2v2gB-3t2yA:
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.
2V2G_C_BEZC1222_0
(PEROXIREDOXIN 6)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		4 / 7 THR A 312
PRO A 313
VAL A 314
GLU A 193
 None
 0.85A 2v2gC-3t2yA:
undetectable
2v2gD-3t2yA:
undetectable		 2v2gC-3t2yA:
19.59
2v2gD-3t2yA:
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.
2V2G_D_BEZD1221_0
(PEROXIREDOXIN 6)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		4 / 7 THR A 312
PRO A 313
VAL A 314
GLU A 193
 None
 0.86A 2v2gC-3t2yA:
undetectable
2v2gD-3t2yA:
undetectable		 2v2gC-3t2yA:
19.59
2v2gD-3t2yA:
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.
2V32_A_BEZA1222_0
(PEROXIREDOXIN 6)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		4 / 8 THR A 312
PRO A 313
VAL A 314
GLU A 193
 None
 0.82A 2v32A-3t2yA:
undetectable
2v32B-3t2yA:
undetectable		 2v32A-3t2yA:
19.59
2v32B-3t2yA:
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.
2V32_B_BEZB1220_0
(PEROXIREDOXIN 6)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		4 / 8 THR A 312
PRO A 313
VAL A 314
GLU A 193
 None
 0.85A 2v32A-3t2yA:
undetectable
2v32B-3t2yA:
undetectable		 2v32A-3t2yA:
19.59
2v32B-3t2yA:
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.
2V32_C_BEZC1222_0
(PEROXIREDOXIN 6)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		4 / 8 THR A 312
PRO A 313
VAL A 314
GLU A 193
 None
 0.83A 2v32C-3t2yA:
undetectable
2v32D-3t2yA:
undetectable		 2v32C-3t2yA:
19.59
2v32D-3t2yA:
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.
2V32_D_BEZD1221_0
(PEROXIREDOXIN 6)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		4 / 8 THR A 312
PRO A 313
VAL A 314
GLU A 193
 None
 0.89A 2v32C-3t2yA:
undetectable
2v32D-3t2yA:
undetectable		 2v32C-3t2yA:
19.59
2v32D-3t2yA:
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.
2V41_C_BEZC1218_0
(PEROXIREDOXIN 6.)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		4 / 8 THR A 312
PRO A 313
VAL A 314
GLU A 193
 None
 0.96A 2v41C-3t2yA:
undetectable
2v41D-3t2yA:
3.0		 2v41C-3t2yA:
19.59
2v41D-3t2yA:
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.
2V41_D_BEZD1222_0
(PEROXIREDOXIN 6.)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		4 / 8 THR A 312
PRO A 313
VAL A 314
GLU A 193
 None
 0.87A 2v41C-3t2yA:
undetectable
2v41D-3t2yA:
3.0		 2v41C-3t2yA:
19.59
2v41D-3t2yA:
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.
2V41_E_BEZE1222_0
(PEROXIREDOXIN 6.)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		4 / 7 THR A 312
PRO A 313
VAL A 314
GLU A 193
 None
 0.86A 2v41E-3t2yA:
2.2
2v41F-3t2yA:
undetectable		 2v41E-3t2yA:
19.59
2v41F-3t2yA:
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.
2V41_F_BEZF1222_0
(PEROXIREDOXIN 6.)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		4 / 7 THR A 312
PRO A 313
VAL A 314
GLU A 193
 None
 0.88A 2v41E-3t2yA:
2.2
2v41F-3t2yA:
undetectable		 2v41E-3t2yA:
19.59
2v41F-3t2yA:
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.
2V41_H_BEZH1222_0
(PEROXIREDOXIN 6.)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		4 / 8 THR A 312
PRO A 313
VAL A 314
GLU A 193
 None
 0.90A 2v41G-3t2yA:
undetectable
2v41H-3t2yA:
undetectable		 2v41G-3t2yA:
19.59
2v41H-3t2yA:
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.
2VE3_B_REAB1445_1
(PUTATIVE CYTOCHROME
P450 120)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 THR A 321
ALA A 366
VAL A 204
GLY A 203
GLN A 202
 FAD  A 500 (-4.0A)
None
None
None
None
 1.23A 2ve3B-3t2yA:
undetectable		 2ve3B-3t2yA:
21.44
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.
2ZS9_A_PAUA603_0
(PANTOTHENATE KINASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		4 / 6 VAL A  48
ASP A  56
TYR A  38
ASN A  45
 None
 1.19A 2zs9A-3t2yA:
undetectable		 2zs9A-3t2yA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AI9_X_SAMX501_0
(UPF0217 PROTEIN
MJ1640)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 9 GLY A 266
LEU A 284
SER A 291
LEU A 276
CYH A 277
 None
 1.11A 3ai9X-3t2yA:
undetectable		 3ai9X-3t2yA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BCR_A_AZZA940_1
(GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		4 / 5 PHE A 161
ALA A 164
GLY A 153
TYR A 165
 None
 1.19A 3bcrA-3t2yA:
4.3		 3bcrA-3t2yA:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BVB_B_017B401_1
(PROTEASE
(RETROPEPSIN))		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.86A 3bvbA-3t2yA:
undetectable		 3bvbA-3t2yA:
13.80
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.
3BVB_B_017B401_2
(PROTEASE
(RETROPEPSIN))		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.73A 3bvbB-3t2yA:
undetectable		 3bvbB-3t2yA:
13.80
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.
3CYX_A_ROCA201_1
(HIV-1 PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.75A 3cyxA-3t2yA:
undetectable		 3cyxA-3t2yA:
12.65
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.
3EKP_C_478C200_2
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 10 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.70A 3ekpD-3t2yA:
undetectable		 3ekpD-3t2yA:
13.62
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.
3EKT_D_017D200_1
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 11 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.72A 3ektC-3t2yA:
undetectable		 3ektC-3t2yA:
13.62
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.
3EKV_A_478A200_1
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 10 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.68A 3ekvA-3t2yA:
undetectable		 3ekvA-3t2yA:
13.59
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.
3EL5_B_1UNB201_1
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 10 LEU A 276
ALA A 303
VAL A 267
GLY A   8
ILE A   6
 None
None
FAD  A 500 ( 4.6A)
FAD  A 500 (-3.0A)
None
 1.11A 3el5A-3t2yA:
undetectable		 3el5A-3t2yA:
13.59
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.
3EM3_B_478B200_1
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 10 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.73A 3em3A-3t2yA:
undetectable		 3em3A-3t2yA:
12.86
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.
3JVY_B_017B401_2
(GAG-POL POLYPROTEIN)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.71A 3jvyB-3t2yA:
undetectable		 3jvyB-3t2yA:
12.41
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.
3K4V_B_ROCB201_1
(HIV-1 PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.68A 3k4vA-3t2yA:
undetectable		 3k4vA-3t2yA:
12.41
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.
3K4V_D_ROCD201_3
(HIV-1 PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.67A 3k4vD-3t2yA:
undetectable		 3k4vD-3t2yA:
12.41
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.
3KO0_T_TFPT201_1
(PROTEIN S100-A4)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		4 / 7 PHE A  41
GLY A  49
CYH A 356
PHE A 357
 None
None
S2H  A 505 ( 2.1A)
None
 1.11A 3ko0R-3t2yA:
undetectable
3ko0T-3t2yA:
undetectable		 3ko0R-3t2yA:
12.71
3ko0T-3t2yA:
12.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDT_A_ROCA101_1
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.68A 3ndtA-3t2yA:
undetectable		 3ndtA-3t2yA:
12.41
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.
3NDT_A_ROCA101_3
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.71A 3ndtB-3t2yA:
undetectable		 3ndtB-3t2yA:
12.41
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.
3NDT_D_ROCD100_1
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.72A 3ndtC-3t2yA:
undetectable		 3ndtC-3t2yA:
12.41
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.
3NDT_D_ROCD100_2
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.68A 3ndtD-3t2yA:
undetectable		 3ndtD-3t2yA:
12.41
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.
3NDU_A_ROCA101_1
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.66A 3nduA-3t2yA:
undetectable		 3nduA-3t2yA:
12.41
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.
3NDU_A_ROCA101_2
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.72A 3nduB-3t2yA:
undetectable		 3nduB-3t2yA:
12.41
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.
3NDU_D_ROCD100_2
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.68A 3nduD-3t2yA:
undetectable		 3nduD-3t2yA:
12.41
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.
3NU3_B_478B401_2
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 11 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.72A 3nu3B-3t2yA:
undetectable		 3nu3B-3t2yA:
12.41
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.
3NU4_B_478B401_2
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 9 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.71A 3nu4B-3t2yA:
undetectable		 3nu4B-3t2yA:
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.
3NU5_B_478B401_1
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.83A 3nu5A-3t2yA:
undetectable		 3nu5A-3t2yA:
12.65
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.
3NU5_B_478B401_2
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.72A 3nu5B-3t2yA:
undetectable		 3nu5B-3t2yA:
12.65
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.
3NU6_B_478B401_2
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 10 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.69A 3nu6B-3t2yA:
undetectable		 3nu6B-3t2yA:
12.41
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.
3NUJ_B_478B401_2
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 9 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.72A 3nujB-3t2yA:
undetectable		 3nujB-3t2yA:
12.65
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.
3NUO_B_478B478_2
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 9 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.73A 3nuoB-3t2yA:
undetectable		 3nuoB-3t2yA:
13.61
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.
3OXC_A_ROCA401_3
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.69A 3oxcB-3t2yA:
undetectable		 3oxcB-3t2yA:
12.41
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.
3OXV_B_478B200_1
(HIV-1 PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 9 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.72A 3oxvA-3t2yA:
undetectable		 3oxvA-3t2yA:
13.83
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.
3OXV_C_478C200_1
(HIV-1 PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 9 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.71A 3oxvC-3t2yA:
undetectable		 3oxvC-3t2yA:
13.83
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.
3OXX_A_DR7A100_1
(HIV-1 PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.75A 3oxxA-3t2yA:
undetectable		 3oxxA-3t2yA:
14.08
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.
3OXX_C_DR7C100_1
(HIV-1 PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.82A 3oxxC-3t2yA:
undetectable		 3oxxC-3t2yA:
14.08
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.
3PWM_B_017B402_2
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.71A 3pwmB-3t2yA:
undetectable		 3pwmB-3t2yA:
12.41
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.
3PWR_A_ROCA401_1
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.69A 3pwrA-3t2yA:
undetectable		 3pwrA-3t2yA:
12.41
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.
3S43_A_478A401_2
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 10 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.72A 3s43B-3t2yA:
undetectable		 3s43B-3t2yA:
13.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S45_B_478B201_2
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 11 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.70A 3s45B-3t2yA:
undetectable		 3s45B-3t2yA:
13.17
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.
3S54_B_017B201_1
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.79A 3s54A-3t2yA:
undetectable		 3s54A-3t2yA:
13.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S54_B_017B201_2
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.78A 3s54B-3t2yA:
undetectable		 3s54B-3t2yA:
13.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SO9_A_017A100_2
(HIV-1 PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		6 / 12 LEU A 276
ALA A 303
VAL A 267
GLY A   8
ILE A   6
VAL A 270
 None
None
FAD  A 500 ( 4.6A)
FAD  A 500 (-3.0A)
None
None
 1.30A 3so9B-3t2yA:
undetectable		 3so9B-3t2yA:
14.08
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.
3TKG_B_ROCB801_1
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.69A 3tkgA-3t2yA:
undetectable		 3tkgA-3t2yA:
14.97
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.
3TKG_B_ROCB801_2
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.72A 3tkgB-3t2yA:
undetectable		 3tkgB-3t2yA:
14.97
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.
3TL9_A_ROCA401_1
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.68A 3tl9A-3t2yA:
undetectable		 3tl9A-3t2yA:
14.97
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.
4DQF_B_017B101_2
(ASPARTYL PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 10 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.72A 4dqfB-3t2yA:
undetectable		 4dqfB-3t2yA:
13.08
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.
4KLR_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		4 / 8 LEU A 109
PRO A 163
VAL A  48
GLY A  49
 None
FAD  A 500 (-4.4A)
None
None
 0.98A 4klrB-3t2yA:
undetectable		 4klrB-3t2yA:
23.72
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.
4LL3_A_017A201_2
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 10 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.73A 4ll3B-3t2yA:
undetectable		 4ll3B-3t2yA:
13.15
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.
4LL3_A_017A202_1
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 10 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.74A 4ll3A-3t2yA:
undetectable		 4ll3A-3t2yA:
13.15
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.
4R82_A_ACTA207_0
(OXIDOREDUCTASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		4 / 4 GLU A 139
GLY A 122
HIS A 120
ARG A 135
 None
 1.36A 4r82A-3t2yA:
undetectable
4r82B-3t2yA:
undetectable		 4r82A-3t2yA:
17.51
4r82B-3t2yA:
17.51
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.
4RVJ_B_478B101_2
(HIV-1 PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 9 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.70A 4rvjB-3t2yA:
undetectable		 4rvjB-3t2yA:
13.85
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.
4RVJ_D_478D101_2
(HIV-1 PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 9 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.68A 4rvjD-3t2yA:
undetectable		 4rvjD-3t2yA:
13.85
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.
5E5J_A_017A201_2
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.78A 5e5jB-3t2yA:
undetectable		 5e5jB-3t2yA:
13.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E5K_B_017B201_1
(HIV-1 PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.74A 5e5kA-3t2yA:
undetectable		 5e5kA-3t2yA:
13.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 9 MET A  20
GLY A 301
ALA A 331
GLU A  19
ILE A 304
 None
FAD  A 500 (-3.4A)
None
None
None
 1.26A 5i3cA-3t2yA:
undetectable		 5i3cA-3t2yA:
22.89
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.
5IGZ_A_SPRA404_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 9 LEU A 199
ILE A 196
PHE A 367
VAL A 355
GLU A 166
 None
 1.41A 5igzA-3t2yA:
undetectable		 5igzA-3t2yA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0X_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 ILE A 196
GLY A 197
HIS A 198
ILE A 220
ALA A 222
 None
 1.13A 5n0xA-3t2yA:
undetectable		 5n0xA-3t2yA:
21.43
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.
5T2Z_B_017B201_2
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.75A 5t2zB-3t2yA:
undetectable		 5t2zB-3t2yA:
13.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5T8H_B_478B401_1
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.70A 5t8hA-3t2yA:
undetectable		 5t8hA-3t2yA:
13.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DGX_A_017A101_0
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.69A 6dgxA-3t2yA:
undetectable		 6dgxA-3t2yA:
11.37
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.
6DH3_A_017A101_0
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.69A 6dh3A-3t2yA:
undetectable		 6dh3A-3t2yA:
11.37
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.
6DH6_A_017A104_0
(PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.70A 6dh6A-3t2yA:
undetectable		 6dh6A-3t2yA:
12.50
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.
6DIF_B_TPVB201_1
(HIV-1 PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.74A 6difB-3t2yA:
undetectable		 6difB-3t2yA:
11.37
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.
6DIL_B_TPVB201_1
(HIV-1 PROTEASE)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		5 / 12 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.73A 6dilB-3t2yA:
undetectable		 6dilB-3t2yA:
11.37
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.
6FGD_A_ACTA806_0
(GEPHYRIN)		 3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE
(Acidithiobacillu
s
ferrooxidans) 		4 / 4 MET A 360
GLY A 361
HIS A 388
GLY A 364
 LMT  A 501 ( 3.7A)
None
None
None
 0.96A 6fgdA-3t2yA:
4.8		 6fgdA-3t2yA:
23.27