SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3tp9'

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.
1A52_A_ESTA1_1
(ESTROGEN RECEPTOR)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 10 MET A 250
GLU A  67
LEU A 261
LEU A 264
ILE A 347
 None
 1.47A 1a52A-3tp9A:
undetectable		 1a52A-3tp9A:
20.17
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.
1A52_B_ESTB2_1
(ESTROGEN RECEPTOR)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 10 MET A 250
GLU A  67
LEU A 261
LEU A 264
ILE A 347
 None
 1.45A 1a52B-3tp9A:
undetectable		 1a52B-3tp9A:
20.17
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.
1AEG_A_4APA296_1
(CYTOCHROME C
PEROXIDASE)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 8 HIS A 196
GLY A 199
GLY A 203
ASP A 146
 None
None
None
ZN  A 472 (-3.1A)
 0.85A 1aegA-3tp9A:
undetectable		 1aegA-3tp9A:
19.40
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.
1DHF_B_FOLB187_0
(DIHYDROFOLATE
REDUCTASE)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 ILE A 347
ALA A 341
ILE A 439
ASN A 305
LEU A 304
 None
 1.21A 1dhfB-3tp9A:
undetectable		 1dhfB-3tp9A:
17.58
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.
1ERE_A_ESTA600_1
(ESTROGEN RECEPTOR)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 9 MET A 250
GLU A  67
LEU A 261
LEU A 264
ILE A 347
 None
 1.46A 1ereA-3tp9A:
undetectable		 1ereA-3tp9A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ERE_C_ESTC600_1
(ESTROGEN RECEPTOR)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 9 MET A 250
GLU A  67
LEU A 261
LEU A 264
ILE A 347
 None
 1.47A 1ereC-3tp9A:
undetectable		 1ereC-3tp9A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ERE_D_ESTD600_1
(ESTROGEN RECEPTOR)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 9 MET A 250
GLU A  67
LEU A 261
LEU A 264
ILE A 347
 None
 1.43A 1ereD-3tp9A:
undetectable		 1ereD-3tp9A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FFY_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		6 / 12 PRO A  31
SER A  63
GLY A 145
ASP A 146
PHE A 149
VAL A 150
 None
None
None
ZN  A 472 (-3.1A)
None
None
 1.19A 1ffyA-3tp9A:
undetectable		 1ffyA-3tp9A:
19.01
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.
1KIJ_A_NOVA400_2
(DNA GYRASE SUBUNIT B)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		3 / 3 ASN A 221
PHE A 232
VAL A 153
 None
 0.67A 1kijA-3tp9A:
undetectable		 1kijA-3tp9A:
24.29
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.
1MZ9_A_VDYA1002_1
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 4 ILE A 345
LEU A 342
VAL A 338
ALA A 331
 None
 1.01A 1mz9A-3tp9A:
undetectable		 1mz9A-3tp9A:
6.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QU2_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		6 / 12 PRO A  31
SER A  63
GLY A 145
ASP A 146
PHE A 149
VAL A 150
 None
None
None
ZN  A 472 (-3.1A)
None
None
 1.19A 1qu2A-3tp9A:
undetectable		 1qu2A-3tp9A:
19.01
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 LEU A 105
LEU A 128
TYR A 130
VAL A 110
LEU A   3
 None
 1.18A 1s19A-3tp9A:
undetectable		 1s19A-3tp9A:
18.68
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.
1TKQ_A_DVAA6_0
(MINI-GRAMICIDIN A)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		3 / 3 ALA A 292
VAL A 289
TRP A 308
 None
 0.91A 1tkqA-3tp9A:
undetectable		 1tkqA-3tp9A:
5.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UPF_D_URFD999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 4 MET A  68
ALA A  52
TYR A  38
ILE A  49
 None
 1.45A 1upfD-3tp9A:
undetectable		 1upfD-3tp9A:
20.37
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.
2ADM_B_SAMB500_0
(ADENINE-N6-DNA-METHY
LTRANSFERASE TAQI)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 11 VAL A  78
ALA A  51
PRO A  31
ALA A  69
PHE A 107
 None
 1.30A 2admB-3tp9A:
undetectable		 2admB-3tp9A:
24.35
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.
2G70_A_SAMA2001_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 LEU A 193
VAL A 110
ALA A  52
CYH A  27
VAL A  18
 None
 1.42A 2g70A-3tp9A:
undetectable		 2g70A-3tp9A:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G70_B_SAMB2002_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 LEU A 193
VAL A 110
ALA A  52
CYH A  27
VAL A  18
 None
 1.37A 2g70B-3tp9A:
undetectable		 2g70B-3tp9A:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2H77_A_T3A1_1
(THRA PROTEIN)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 ALA A 322
ARG A 249
ALA A 316
LEU A 342
ILE A 306
 None
 1.10A 2h77A-3tp9A:
undetectable		 2h77A-3tp9A:
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.
2HRC_A_CHDA703_0
(FERROCHELATASE)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 4 LEU A 403
PRO A 404
LEU A 389
ARG A 453
 None
 1.08A 2hrcA-3tp9A:
undetectable		 2hrcA-3tp9A:
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.
2J7X_A_ESTA1454_1
(ESTROGEN RECEPTOR
BETA)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 LEU A 328
LEU A 320
GLY A 302
HIS A 299
LEU A 300
 None
 1.30A 2j7xA-3tp9A:
undetectable		 2j7xA-3tp9A:
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.
2OKC_B_SAMB500_1
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 6 THR A  23
ASP A 131
THR A 134
ASP A 137
 None
 1.23A 2okcB-3tp9A:
undetectable		 2okcB-3tp9A:
21.74
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.
2V3K_A_SAMA1254_0
(ESSENTIAL FOR
MITOTIC GROWTH 1)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		6 / 10 LEU A 390
VAL A 429
ASP A 391
LEU A 414
LEU A 411
ALA A 440
 None
 1.27A 2v3kA-3tp9A:
undetectable		 2v3kA-3tp9A:
20.82
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.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 8 HIS A  56
HIS A  58
ASP A 146
HIS A 196
GLY A 145
 ZN  A 472 (-3.3A)
None
ZN  A 472 (-3.1A)
None
None
 1.41A 3c0zB-3tp9A:
undetectable		 3c0zB-3tp9A:
22.85
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.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 6 ASP A 157
HIS A  56
HIS A 120
ASP A  60
 None
ZN  A 472 (-3.3A)
ZN  A 472 (-3.4A)
ZN  A 472 ( 4.9A)
 0.79A 3c0zC-3tp9A:
undetectable		 3c0zC-3tp9A:
22.85
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.
3H52_C_486C4_2
(GLUCOCORTICOID
RECEPTOR)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		3 / 3 MET A 250
CYH A 202
PRO A 244
 None
ZN  A 472 (-3.1A)
None
 1.29A 3h52C-3tp9A:
undetectable		 3h52C-3tp9A:
18.26
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.
3HCO_B_CHDB1_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 4 LEU A 403
PRO A 404
LEU A 389
ARG A 453
 None
 1.17A 3hcoB-3tp9A:
3.0		 3hcoB-3tp9A:
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 11 LEU A 328
LEU A 320
GLY A 302
HIS A 299
LEU A 300
 None
 1.39A 3hm1B-3tp9A:
undetectable		 3hm1B-3tp9A:
19.83
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.
3LCV_B_SAMB301_0
(SISOMICIN-GENTAMICIN
RESISTANCE METHYLASE
SGM)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 TYR A 127
HIS A 124
THR A 121
ALA A 195
ILE A  29
 None
 1.31A 3lcvB-3tp9A:
undetectable		 3lcvB-3tp9A:
20.58
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.
3N8W_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		6 / 12 VAL A 338
LEU A 304
LEU A 328
GLY A 317
ALA A 316
LEU A 342
 None
 1.34A 3n8wA-3tp9A:
undetectable		 3n8wA-3tp9A:
21.45
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.
3PGH_C_FLPC701_1
(CYCLOOXYGENASE-2)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		6 / 12 VAL A 338
LEU A 304
LEU A 328
GLY A 317
ALA A 316
LEU A 342
 None
 1.28A 3pghC-3tp9A:
undetectable		 3pghC-3tp9A:
21.53
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.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 10 HIS A  56
HIS A  58
ASP A 146
HIS A 196
GLY A 145
 ZN  A 472 (-3.3A)
None
ZN  A 472 (-3.1A)
None
None
 1.42A 4bz6A-3tp9A:
undetectable		 4bz6A-3tp9A:
21.62
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.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 HIS A  56
HIS A  58
ASP A 146
HIS A 196
GLY A 145
 ZN  A 472 (-3.3A)
None
ZN  A 472 (-3.1A)
None
None
 1.42A 4bz6A-3tp9A:
undetectable
4bz6B-3tp9A:
undetectable		 4bz6A-3tp9A:
21.62
4bz6B-3tp9A:
21.62
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.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 HIS A  56
GLY A 154
HIS A 196
PHE A 149
ASP A  60
 ZN  A 472 (-3.3A)
None
None
None
ZN  A 472 ( 4.9A)
 1.22A 4bz6C-3tp9A:
undetectable		 4bz6C-3tp9A:
21.62
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.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 10 HIS A  56
HIS A  58
ASP A 146
HIS A 196
GLY A 145
 ZN  A 472 (-3.3A)
None
ZN  A 472 (-3.1A)
None
None
 1.43A 4bz6D-3tp9A:
2.2		 4bz6D-3tp9A:
21.62
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.
4LNW_A_T3A501_1
(THYROID HORMONE
RECEPTOR ALPHA)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 ALA A 322
ARG A 249
ALA A 316
LEU A 342
ILE A 306
 None
 1.10A 4lnwA-3tp9A:
undetectable		 4lnwA-3tp9A:
20.50
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.
4LNX_A_T3A502_1
(THYROID HORMONE
RECEPTOR ALPHA)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 ALA A 322
ARG A 249
ALA A 316
LEU A 342
ILE A 306
 None
 1.09A 4lnxA-3tp9A:
undetectable		 4lnxA-3tp9A:
20.50
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.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 11 HIS A  56
HIS A  58
ASP A 146
HIS A 196
GLY A 145
 ZN  A 472 (-3.3A)
None
ZN  A 472 (-3.1A)
None
None
 1.42A 4lxzB-3tp9A:
2.5		 4lxzB-3tp9A:
22.33
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.
4R88_A_1LDA501_0
(CYTOSINE DEAMINASE)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 HIS A 196
PHE A  61
HIS A  56
LEU A 158
ASP A 146
 None
None
ZN  A 472 (-3.3A)
None
ZN  A 472 (-3.1A)
 1.40A 4r88A-3tp9A:
undetectable		 4r88A-3tp9A:
22.83
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.
4R88_A_1LDA501_0
(CYTOSINE DEAMINASE)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 PHE A  61
HIS A  58
HIS A  56
LEU A 158
ASP A 146
 None
None
ZN  A 472 (-3.3A)
None
ZN  A 472 (-3.1A)
 1.43A 4r88A-3tp9A:
undetectable		 4r88A-3tp9A:
22.83
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 11 PHE A 149
ALA A 201
ASP A  30
GLY A 154
GLY A 145
 None
 1.25A 4xp4A-3tp9A:
undetectable		 4xp4A-3tp9A:
21.68
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.
4Y03_A_SALA801_1
(PROTEIN POLYBROMO-1)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 7 ILE A 326
LEU A 304
ALA A 316
ILE A 347
 None
 0.82A 4y03A-3tp9A:
undetectable		 4y03A-3tp9A:
13.45
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 7 HIS A 196
CYH A 202
GLY A 145
HIS A 120
 None
ZN  A 472 (-3.1A)
None
ZN  A 472 (-3.4A)
 0.86A 5a5zC-3tp9A:
3.1		 5a5zC-3tp9A:
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.
5CDN_P_EVPP2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 6 GLU A  54
ASP A 157
ARG A 155
GLY A 154
 None
 0.86A 5cdnT-3tp9A:
undetectable
5cdnU-3tp9A:
2.8		 5cdnT-3tp9A:
23.28
5cdnU-3tp9A:
17.49
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.
5DZK_O_BEZO801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 6 HIS A 120
PRO A 156
MET A 176
LEU A 159
 ZN  A 472 (-3.4A)
None
None
None
 1.40A 5dzka-3tp9A:
undetectable
5dzko-3tp9A:
undetectable		 5dzka-3tp9A:
17.93
5dzko-3tp9A:
4.65
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.
5JWA_H_ACTH612_0
(NADH DEHYDROGENASE,
PUTATIVE)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		3 / 3 ARG A  33
PRO A 258
ASN A 254
 None
 0.95A 5jwaA-3tp9A:
undetectable
5jwaH-3tp9A:
undetectable		 5jwaA-3tp9A:
19.57
5jwaH-3tp9A:
19.57
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.
5M8R_C_MMSC516_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 8 HIS A 120
HIS A 196
GLY A 197
SER A 200
 ZN  A 472 (-3.4A)
None
None
None
 0.86A 5m8rC-3tp9A:
undetectable		 5m8rC-3tp9A:
21.31
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.
5OEX_A_CUA601_0
(THIOCYANATE
DEHYDROGENASE)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		3 / 3 HIS A 196
ASP A 146
HIS A  56
 None
ZN  A 472 (-3.1A)
ZN  A 472 (-3.3A)
 0.79A 5oexA-3tp9A:
undetectable		 5oexA-3tp9A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_C_CUC601_0
(THIOCYANATE
DEHYDROGENASE)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		3 / 3 HIS A 196
ASP A 146
HIS A  56
 None
ZN  A 472 (-3.1A)
ZN  A 472 (-3.3A)
 0.77A 5oexC-3tp9A:
undetectable		 5oexC-3tp9A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A4I_A_TRPA403_0
(TRYPTOPHAN
2,3-DIOXYGENASE)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 8 GLU A 165
THR A 121
PRO A 122
ILE A  57
 None
 0.92A 6a4iA-3tp9A:
undetectable		 6a4iA-3tp9A:
22.44
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.
6AG0_C_ACRC605_0
(ALPHA-AMYLASE)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 8 GLY A 400
ASP A 391
HIS A 408
PRO A 410
 None
 1.01A 6ag0C-3tp9A:
undetectable		 6ag0C-3tp9A:
9.84
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.
6B0C_D_TA1D502_1
(TUBULIN BETA CHAIN)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 12 LEU A 287
LEU A 320
SER A 412
LEU A 304
GLY A 435
 None
 0.94A 6b0cD-3tp9A:
undetectable		 6b0cD-3tp9A:
10.23
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.
6QGB_A_BEZA701_0
(MONO(2-HYDROXYETHYL)
TEREPHTHALATE
HYDROLASE)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 11 GLY A 154
LEU A 236
ALA A 235
ALA A 223
PHE A 232
 None
 1.24A 6qgbA-3tp9A:
0.0		 6qgbA-3tp9A:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QGB_E_BEZE701_0
(MONO(2-HYDROXYETHYL)
TEREPHTHALATE
HYDROLASE)		 3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN
(Alicyclobacillus
acidocaldarius) 		5 / 11 GLY A 154
LEU A 236
ALA A 235
ALA A 223
PHE A 232
 None
 1.21A 6qgbE-3tp9A:
undetectable		 6qgbE-3tp9A:
23.66