SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3mpn'

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.
1I7Q_A_BEZA1501_0
(ANTHRANILATE
SYNTHASE)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 11 GLY A  26
THR A 254
LEU A 202
GLY A 294
GLU A 290
 LEU  A 601 (-3.1A)
NA  A 752 ( 3.3A)
None
None
NA  A 752 ( 4.8A)
 1.48A 1i7qA-3mpnA:
undetectable		 1i7qA-3mpnA:
20.87
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 12 ALA A 504
LEU A 367
VAL A  95
LEU A  98
LEU A 371
 BOG  A   1 ( 4.2A)
None
None
None
None
 1.08A 1jipA-3mpnA:
0.2		 1jipA-3mpnA:
22.49
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.
1KT4_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 12 LEU A 380
LEU A 183
ALA A 261
VAL A 180
MET A 360
 MTN  A 801 ( 4.9A)
None
None
None
None
 1.35A 1kt4A-3mpnA:
undetectable		 1kt4A-3mpnA:
15.29
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.
1PBC_A_BHAA396_0
(P-HYDROXYBENZOATE
HYDROXYLASE)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 10 GLY A  24
VAL A  23
LEU A 202
LEU A 347
ALA A 289
 LEU  A 601 ( 3.4A)
NA  A 752 (-4.5A)
None
None
None
 1.18A 1pbcA-3mpnA:
undetectable		 1pbcA-3mpnA:
21.67
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.
1SBR_A_VIBA501_1
(YKOF)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		4 / 8 LEU A  84
ILE A 421
ILE A 422
THR A  77
 None
 0.96A 1sbrA-3mpnA:
undetectable		 1sbrA-3mpnA:
17.18
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.
2A1O_B_CAMB2422_0
(CYTOCHROME P450-CAM)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 9 THR A 456
LEU A 460
VAL A 413
GLY A 416
ILE A 251
 None
 1.27A 2a1oB-3mpnA:
undetectable		 2a1oB-3mpnA:
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.
2BJF_A_DXCA330_0
(CHOLOYLGLYCINE
HYDROLASE)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 12 TYR A  47
PHE A  51
ALA A 283
ASN A  27
THR A 254
 None
None
None
NA  A 752 ( 2.8A)
NA  A 752 ( 3.3A)
 1.26A 2bjfA-3mpnA:
undetectable		 2bjfA-3mpnA:
21.80
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.
2OD9_A_NCAA3721_0
(NAD-DEPENDENT
DEACETYLASE HST2)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		3 / 3 PHE A 194
PHE A 350
PHE A 349
 None
 0.86A 2od9A-3mpnA:
undetectable		 2od9A-3mpnA:
21.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q6H_A_CXXA801_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		10 / 11 LEU A  25
LEU A  29
VAL A  33
GLN A  34
ILE A 111
PHE A 253
PHE A 320
LEU A 400
ASP A 401
ASP A 404
 LEU  A 601 (-4.9A)
None
None
None
None
LEU  A 601 (-4.2A)
None
None
None
None
 0.25A 2q6hA-3mpnA:
68.1		 2q6hA-3mpnA:
99.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q6H_A_CXXA802_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		7 / 7 ILE A 178
SER A 181
ARG A 185
ARG A 193
PHE A 194
ILE A 197
PHE A 350
 None
 0.27A 2q6hA-3mpnA:
68.1		 2q6hA-3mpnA:
99.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q72_A_IXXA801_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 11 LEU A  25
LEU A  29
ARG A  30
VAL A  33
ALA A 319
 LEU  A 601 (-4.9A)
None
None
None
None
 1.03A 2q72A-3mpnA:
67.9		 2q72A-3mpnA:
99.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q72_A_IXXA801_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		10 / 11 LEU A  25
LEU A  29
VAL A  33
GLN A  34
ILE A 111
PHE A 253
ALA A 319
LEU A 400
ASP A 401
ASP A 404
 LEU  A 601 (-4.9A)
None
None
None
None
LEU  A 601 (-4.2A)
None
None
None
None
 0.50A 2q72A-3mpnA:
67.9		 2q72A-3mpnA:
99.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q72_A_IXXA802_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 6 ILE A 178
SER A 181
ARG A 185
ILE A 197
PHE A 350
 None
 0.15A 2q72A-3mpnA:
67.9		 2q72A-3mpnA:
99.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QB4_A_DSMA801_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		11 / 12 LEU A  25
LEU A  29
VAL A  33
GLN A  34
ILE A 111
PHE A 253
ALA A 319
PHE A 320
LEU A 400
ASP A 401
ASP A 404
 LEU  A 601 (-4.9A)
None
None
None
None
LEU  A 601 (-4.2A)
None
None
None
None
None
 0.47A 2qb4A-3mpnA:
68.1		 2qb4A-3mpnA:
99.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QB4_A_DSMA802_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		6 / 7 ILE A 178
SER A 181
ARG A 185
PHE A 194
ILE A 197
PHE A 350
 None
 0.14A 2qb4A-3mpnA:
68.1		 2qb4A-3mpnA:
99.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QEI_A_CXXA801_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		10 / 11 LEU A  25
LEU A  29
VAL A  33
GLN A  34
ILE A 111
PHE A 253
PHE A 320
LEU A 400
ASP A 401
ASP A 404
 LEU  A 601 (-4.9A)
None
None
None
None
LEU  A 601 (-4.2A)
None
None
None
None
 0.33A 2qeiA-3mpnA:
67.6		 2qeiA-3mpnA:
99.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QEI_A_CXXA802_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 6 SER A 181
ARG A 185
PHE A 194
ILE A 197
PHE A 350
 None
 0.21A 2qeiA-3mpnA:
67.6		 2qeiA-3mpnA:
99.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QJU_A_DSMA801_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 11 LEU A  25
LEU A  29
ARG A  30
PHE A 253
ALA A 319
 LEU  A 601 (-4.9A)
None
None
LEU  A 601 (-4.2A)
None
 1.06A 2qjuA-3mpnA:
68.0		 2qjuA-3mpnA:
99.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QJU_A_DSMA801_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		10 / 11 LEU A  25
LEU A  29
GLN A  34
ILE A 111
PHE A 253
ALA A 319
PHE A 320
LEU A 400
ASP A 401
ASP A 404
 LEU  A 601 (-4.9A)
None
None
None
LEU  A 601 (-4.2A)
None
None
None
None
None
 0.43A 2qjuA-3mpnA:
68.0		 2qjuA-3mpnA:
99.80
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.
2QQG_A_NCAA3721_0
(NAD-DEPENDENT
DEACETYLASE HST2)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		3 / 3 PHE A 194
PHE A 350
PHE A 349
 None
 0.86A 2qqgA-3mpnA:
undetectable		 2qqgA-3mpnA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VCT_A_ASDA1223_1
(GLUTATHIONE
S-TRANSFERASE A2)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		4 / 8 TYR A 108
GLY A 352
LEU A 347
PHE A 324
 LEU  A 601 (-4.5A)
NA  A 751 ( 4.8A)
None
None
 0.83A 2vctA-3mpnA:
undetectable		 2vctA-3mpnA:
18.90
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.
2VCT_B_ASDB1223_1
(GLUTATHIONE
S-TRANSFERASE A2)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		4 / 8 TYR A 108
GLY A 352
LEU A 347
PHE A 324
 LEU  A 601 (-4.5A)
NA  A 751 ( 4.8A)
None
None
 0.89A 2vctB-3mpnA:
undetectable		 2vctB-3mpnA:
18.90
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.
2VCT_D_ASDD1223_1
(GLUTATHIONE
S-TRANSFERASE A2)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		4 / 7 TYR A 108
GLY A 352
LEU A 347
PHE A 324
 LEU  A 601 (-4.5A)
NA  A 751 ( 4.8A)
None
None
 0.87A 2vctD-3mpnA:
undetectable		 2vctD-3mpnA:
18.90
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.
2YJA_B_ESTB1550_1
(ESTROGEN RECEPTOR)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 12 ALA A 351
LEU A 202
LEU A 205
ILE A 297
GLY A 294
 NA  A 751 (-4.9A)
None
None
None
None
 1.13A 2yjaB-3mpnA:
undetectable		 2yjaB-3mpnA:
19.84
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.
2ZSE_A_PAUA600_0
(PANTOTHENATE KINASE)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		4 / 7 ARG A  30
PHE A  31
PHE A  43
ASN A 286
 None
None
None
NA  A 752 (-2.9A)
 1.12A 2zseA-3mpnA:
undetectable		 2zseA-3mpnA:
23.52
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.
2ZZM_A_SAMA401_0
(UNCHARACTERIZED
PROTEIN MJ0883)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 12 TYR A  82
GLY A  94
ILE A 263
LEU A  84
PHE A 423
 None
 1.24A 2zzmA-3mpnA:
undetectable		 2zzmA-3mpnA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A65_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 12 TYR A  47
VAL A 291
ASN A 286
GLY A  55
ILE A 251
 None
None
NA  A 752 (-2.9A)
None
None
 1.49A 3a65A-3mpnA:
undetectable		 3a65A-3mpnA:
23.31
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.
3C6G_A_VD3A701_1
(CYTOCHROME P450 2R1)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 12 LEU A 183
ASN A 179
ALA A 198
GLY A 190
THR A 264
 None
 1.00A 3c6gA-3mpnA:
undetectable		 3c6gA-3mpnA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C6G_B_VD3B700_1
(CYTOCHROME P450 2R1)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 12 LEU A 183
ASN A 179
ALA A 198
GLY A 190
THR A 264
 None
 0.99A 3c6gB-3mpnA:
undetectable		 3c6gB-3mpnA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		4 / 5 ASN A 179
ALA A 198
GLY A 190
THR A 264
 None
 0.93A 3dl9A-3mpnA:
undetectable		 3dl9A-3mpnA:
22.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GWU_A_SREA801_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		12 / 12 LEU A  25
LEU A  29
ARG A  30
GLN A  34
TYR A 108
PHE A 253
ALA A 319
PHE A 320
LEU A 400
ASP A 401
ASP A 404
THR A 409
 LEU  A 601 (-4.9A)
None
None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-4.2A)
None
None
None
None
None
None
 0.27A 3gwuA-3mpnA:
68.1		 3gwuA-3mpnA:
99.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GWV_A_RFXA801_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		12 / 12 LEU A  25
GLY A  26
LEU A  29
ARG A  30
GLN A  34
TYR A 108
ILE A 111
PHE A 253
ALA A 319
LEU A 400
ASP A 401
ASP A 404
 LEU  A 601 (-4.9A)
LEU  A 601 (-3.1A)
None
None
None
LEU  A 601 (-4.5A)
None
LEU  A 601 (-4.2A)
None
None
None
None
 0.31A 3gwvA-3mpnA:
68.0		 3gwvA-3mpnA:
99.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GWW_A_SFXA801_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 12 LEU A  25
GLY A  26
LEU A  29
ARG A  30
ALA A 319
 LEU  A 601 (-4.9A)
LEU  A 601 (-3.1A)
None
None
None
 1.08A 3gwwA-3mpnA:
68.0		 3gwwA-3mpnA:
99.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GWW_A_SFXA801_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		11 / 12 LEU A  25
GLY A  26
LEU A  29
GLN A  34
TYR A 108
ILE A 111
PHE A 253
ALA A 319
PHE A 320
ASP A 401
ASP A 404
 LEU  A 601 (-4.9A)
LEU  A 601 (-3.1A)
None
None
LEU  A 601 (-4.5A)
None
LEU  A 601 (-4.2A)
None
None
None
None
 0.53A 3gwwA-3mpnA:
68.0		 3gwwA-3mpnA:
99.80
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.
3MTE_B_SAMB220_0
(16S RRNA METHYLASE)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 12 VAL A  33
ALA A 301
LEU A 347
THR A 326
LEU A 327
 None
 0.98A 3mteB-3mpnA:
undetectable		 3mteB-3mpnA:
20.88
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.
3P2K_B_SAMB6735_0
(16S RRNA METHYLASE)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 12 VAL A  33
ALA A 301
LEU A 347
THR A 326
LEU A 327
 None
 1.02A 3p2kB-3mpnA:
undetectable		 3p2kB-3mpnA:
19.80
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.
3T3S_B_9PLB1_1
(CYTOCHROME P450 2A13)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		4 / 6 PHE A 346
PHE A 349
ALA A 351
THR A 354
 None
None
NA  A 751 (-4.9A)
NA  A 751 (-3.4A)
 1.10A 3t3sB-3mpnA:
undetectable		 3t3sB-3mpnA:
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.
3WEL_A_ACRA1001_2
(ALPHA-GLUCOSIDASE)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		4 / 6 ILE A 314
TRP A 114
ILE A 111
TRP A 344
 None
 1.28A 3welA-3mpnA:
undetectable		 3welA-3mpnA:
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.
4GC9_A_ACTA402_0
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		3 / 3 LYS A   5
TYR A 268
ARG A   5
 None
 1.15A 4gc9A-3mpnA:
undetectable		 4gc9A-3mpnA:
22.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MM4_A_8PRA603_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		7 / 12 VAL A 104
ALA A 105
TYR A 107
TYR A 108
PHE A 259
SER A 355
ASP A 404
 None
None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
NA  A 751 ( 2.3A)
None
 0.40A 4mm4A-3mpnA:
59.1		 4mm4A-3mpnA:
97.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MM4_B_8PRB603_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		7 / 12 VAL A 104
ALA A 105
TYR A 107
TYR A 108
VAL A 109
PHE A 259
SER A 355
 None
None
None
LEU  A 601 (-4.5A)
None
LEU  A 601 (-3.6A)
NA  A 751 ( 2.3A)
 0.39A 4mm4B-3mpnA:
59.2		 4mm4B-3mpnA:
97.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MM4_B_8PRB603_2
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		3 / 3 SER A 356
MET A 360
ASP A 404
 None
 0.37A 4mm4B-3mpnA:
59.2		 4mm4B-3mpnA:
97.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MM5_A_SREA603_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		6 / 9 PRO A 101
VAL A 104
ALA A 105
TYR A 108
PHE A 259
SER A 355
 None
None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
NA  A 751 ( 2.3A)
 0.30A 4mm5A-3mpnA:
59.9		 4mm5A-3mpnA:
97.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MM6_A_29EA603_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		6 / 12 VAL A 104
ALA A 105
TYR A 107
TYR A 108
PHE A 259
SER A 355
 None
None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
NA  A 751 ( 2.3A)
 0.48A 4mm6A-3mpnA:
60.4		 4mm6A-3mpnA:
97.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MM7_A_29JA603_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		6 / 10 VAL A 104
TYR A 107
TYR A 108
PHE A 259
SER A 355
ASP A 404
 None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
NA  A 751 ( 2.3A)
None
 0.41A 4mm7A-3mpnA:
60.6		 4mm7A-3mpnA:
97.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MM8_A_RFXA603_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		7 / 12 VAL A 104
ALA A 105
TYR A 107
TYR A 108
PHE A 259
SER A 356
ASP A 404
 None
None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
None
None
 0.42A 4mm8A-3mpnA:
60.4		 4mm8A-3mpnA:
97.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MM9_A_FVXA603_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		7 / 11 VAL A 104
ALA A 105
TYR A 107
TYR A 108
PHE A 259
SER A 355
ASP A 404
 None
None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
NA  A 751 ( 2.3A)
None
 0.50A 4mm9A-3mpnA:
59.6		 4mm9A-3mpnA:
97.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MMA_A_CXXA603_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		7 / 11 PRO A 101
VAL A 104
ALA A 105
TYR A 108
PHE A 259
SER A 355
SER A 356
 None
None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
NA  A 751 ( 2.3A)
None
 0.62A 4mmaA-3mpnA:
59.6		 4mmaA-3mpnA:
97.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MMB_A_SREA603_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		6 / 9 PRO A 101
VAL A 104
ALA A 105
TYR A 108
PHE A 259
SER A 355
 None
None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
NA  A 751 ( 2.3A)
 0.31A 4mmbA-3mpnA:
60.8		 4mmbA-3mpnA:
98.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MMC_A_29JA603_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		6 / 10 VAL A 104
TYR A 107
TYR A 108
PHE A 259
SER A 355
ASP A 404
 None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
NA  A 751 ( 2.3A)
None
 0.33A 4mmcA-3mpnA:
61.6		 4mmcA-3mpnA:
98.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MMC_A_29JA604_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		6 / 7 ILE A 111
PHE A 320
LEU A 400
ASP A 401
ASP A 404
THR A 409
 None
 0.54A 4mmcA-3mpnA:
61.6		 4mmcA-3mpnA:
98.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MMD_A_29EA603_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		6 / 10 PRO A 101
VAL A 104
ALA A 105
TYR A 108
PHE A 259
SER A 356
 None
None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
None
 0.45A 4mmdA-3mpnA:
60.2		 4mmdA-3mpnA:
98.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MMD_B_29EB603_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		8 / 12 PRO A 101
VAL A 104
ALA A 105
TYR A 107
TYR A 108
PHE A 259
SER A 355
SER A 356
 None
None
None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
NA  A 751 ( 2.3A)
None
 0.49A 4mmdB-3mpnA:
60.4		 4mmdB-3mpnA:
98.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MME_A_29QA603_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 9 VAL A 104
ALA A 105
TYR A 108
PHE A 259
SER A 355
 None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
NA  A 751 ( 2.3A)
 0.45A 4mmeA-3mpnA:
61.2		 4mmeA-3mpnA:
98.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MME_B_29QB603_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 9 VAL A 104
ALA A 105
TYR A 108
PHE A 259
SER A 355
 None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
NA  A 751 ( 2.3A)
 0.41A 4mmeB-3mpnA:
61.0		 4mmeB-3mpnA:
98.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MMF_A_29QA603_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 9 VAL A 104
ALA A 105
TYR A 108
PHE A 259
SER A 355
 None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
NA  A 751 ( 2.3A)
 0.44A 4mmfA-3mpnA:
61.0		 4mmfA-3mpnA:
98.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MMF_B_29QB603_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 9 VAL A 104
ALA A 105
TYR A 108
PHE A 259
SER A 355
 None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
NA  A 751 ( 2.3A)
 0.36A 4mmfB-3mpnA:
60.8		 4mmfB-3mpnA:
98.82
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.
4R29_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 12 ALA A  79
GLY A  73
GLN A  72
ALA A  64
GLY A  66
 BOG  A   1 ( 4.1A)
None
None
None
None
 0.93A 4r29A-3mpnA:
undetectable		 4r29A-3mpnA:
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.
4R29_D_SAMD301_0
(UNCHARACTERIZED
PROTEIN)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 12 ALA A  79
GLY A  73
GLN A  72
ALA A  64
GLY A  66
 BOG  A   1 ( 4.1A)
None
None
None
None
 0.90A 4r29D-3mpnA:
undetectable		 4r29D-3mpnA:
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.
4WNW_B_RTZB602_2
(CYTOCHROME P450 2D6)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		3 / 3 GLU A   6
ILE A 357
ALA A 365
 None
 0.58A 4wnwB-3mpnA:
undetectable		 4wnwB-3mpnA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XP1_A_LDPA708_1
(DOPAMINE
TRANSPORTER, ISOFORM
B)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 10 VAL A 104
TYR A 108
PHE A 259
SER A 355
SER A 356
 None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
NA  A 751 ( 2.3A)
None
 0.79A 4xp1A-3mpnA:
40.4		 4xp1A-3mpnA:
29.22
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 11 VAL A 104
TYR A 107
TYR A 108
PHE A 259
SER A 355
 None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
NA  A 751 ( 2.3A)
 0.46A 4xp4A-3mpnA:
37.9		 4xp4A-3mpnA:
29.18
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.
4XPB_A_COCA702_1
(TRANSPORTER)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 10 VAL A 104
TYR A 107
TYR A 108
PHE A 259
SER A 355
 None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
NA  A 751 ( 2.3A)
 0.50A 4xpbA-3mpnA:
37.5		 4xpbA-3mpnA:
29.29
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.
4Z90_F_4LEF401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		4 / 8 LEU A 373
THR A 382
LEU A 500
LEU A 371
 None
 0.72A 4z90F-3mpnA:
undetectable
4z90G-3mpnA:
undetectable
4z90H-3mpnA:
undetectable
4z90I-3mpnA:
undetectable
4z90J-3mpnA:
undetectable		 4z90F-3mpnA:
21.19
4z90G-3mpnA:
21.19
4z90H-3mpnA:
21.19
4z90I-3mpnA:
21.19
4z90J-3mpnA:
21.19
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.
5DXB_B_ESTB601_1
(ESTROGEN RECEPTOR)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 11 ALA A 351
LEU A 202
LEU A 205
ILE A 297
GLY A 294
 NA  A 751 (-4.9A)
None
None
None
None
 1.14A 5dxbB-3mpnA:
undetectable		 5dxbB-3mpnA:
20.85
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.
5GTR_A_ESTA601_1
(ESTROGEN RECEPTOR)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 12 ALA A 351
LEU A 202
LEU A 205
ILE A 297
GLY A 294
 NA  A 751 (-4.9A)
None
None
None
None
 1.08A 5gtrA-3mpnA:
undetectable		 5gtrA-3mpnA:
19.09
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.
5HFJ_A_SAMA301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 12 ALA A 247
ASP A 234
GLY A  40
THR A 232
GLU A  37
 None
 1.16A 5hfjA-3mpnA:
undetectable		 5hfjA-3mpnA:
16.11
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.
5LJC_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		4 / 7 LEU A 396
THR A 479
MET A 476
TRP A 406
 BOG  A 705 ( 4.1A)
None
None
None
 1.34A 5ljcA-3mpnA:
undetectable		 5ljcA-3mpnA:
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.
5MWY_A_YNUA1101_1
(MINERALOCORTICOID
RECEPTOR)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		4 / 6 GLN A  34
PHE A 253
THR A 115
PHE A 324
 None
LEU  A 601 (-4.2A)
None
None
 1.38A 5mwyA-3mpnA:
undetectable		 5mwyA-3mpnA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ECF_I_DVAI3010_0
(VLM2
DODECADEPSIPEPTIDE)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		3 / 3 PHE A 331
ARG A 212
ALA A 223
 None
 0.92A 6ecfB-3mpnA:
undetectable		 6ecfB-3mpnA:
20.20
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.
6ECF_I_DVAI3010_0
(VLM2
DODECADEPSIPEPTIDE)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		3 / 3 PHE A 331
ARG A 212
ALA A 304
 None
 0.76A 6ecfB-3mpnA:
undetectable		 6ecfB-3mpnA:
20.20
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.
6HU9_I_PCFI101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 11 ASP A 401
GLY A 323
SER A 298
ALA A 301
VAL A  33
 None
 1.33A 6hu9A-3mpnA:
undetectable
6hu9E-3mpnA:
undetectable
6hu9I-3mpnA:
undetectable		 6hu9A-3mpnA:
22.18
6hu9E-3mpnA:
17.01
6hu9I-3mpnA:
7.09
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.
6HU9_T_PCFT101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 10 ASP A 401
GLY A 323
SER A 298
ALA A 301
VAL A  33
 None
 1.42A 6hu9L-3mpnA:
undetectable
6hu9P-3mpnA:
undetectable
6hu9T-3mpnA:
undetectable		 6hu9L-3mpnA:
22.18
6hu9P-3mpnA:
17.01
6hu9T-3mpnA:
7.09
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.
6QXS_D_FOZD403_0
(THYMIDYLATE SYNTHASE)		 3mpn TRANSPORTER
(Aquifex
aeolicus) 		5 / 12 LEU A 148
ILE A 325
LEU A 322
ILE A 314
ALA A 311
 None
 1.27A 6qxsD-3mpnA:
undetectable		 6qxsD-3mpnA:
21.79