SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'THM'


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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HO5_A_ADNA1604_1
(5'-NUCLEOTIDASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		5 / 11 ARG A 349
GLY A 379
ASN A 404
GLY A 432
ASP A 487
 PO4  A5646 (-2.9A)
None
THM  A6510 (-3.0A)
THM  A6510 (-3.2A)
THM  A6510 (-2.4A)
 1.32A 1ho5A-2z1aA:
38.5		 1ho5A-2z1aA:
31.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HO5_A_ADNA1604_1
(5'-NUCLEOTIDASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		6 / 11 ASN A 181
ARG A 349
GLY A 380
PHE A 402
GLY A 432
ASP A 487
 THM  A6510 (-4.1A)
PO4  A5646 (-2.9A)
THM  A6510 (-4.1A)
THM  A6510 (-3.7A)
THM  A6510 (-3.2A)
THM  A6510 (-2.4A)
 0.96A 1ho5A-2z1aA:
38.5		 1ho5A-2z1aA:
31.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HO5_A_ADNA1604_1
(5'-NUCLEOTIDASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		7 / 11 ILE A 179
ARG A 349
GLY A 380
ARG A 383
ASN A 479
GLY A 432
PHE A 481
 THM  A6510 (-3.6A)
PO4  A5646 (-2.9A)
THM  A6510 (-4.1A)
PO4  A5646 (-2.9A)
THM  A6510 ( 4.7A)
THM  A6510 (-3.2A)
THM  A6510 (-3.7A)
 1.42A 1ho5A-2z1aA:
38.5		 1ho5A-2z1aA:
31.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HO5_A_ADNA1604_1
(5'-NUCLEOTIDASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		9 / 11 ILE A 179
ARG A 349
GLY A 380
ARG A 383
PHE A 402
ASN A 404
GLY A 432
PHE A 481
ASP A 487
 THM  A6510 (-3.6A)
PO4  A5646 (-2.9A)
THM  A6510 (-4.1A)
PO4  A5646 (-2.9A)
THM  A6510 (-3.7A)
THM  A6510 (-3.0A)
THM  A6510 (-3.2A)
THM  A6510 (-3.7A)
THM  A6510 (-2.4A)
 0.69A 1ho5A-2z1aA:
38.5		 1ho5A-2z1aA:
31.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HO5_A_ADNA1604_1
(5'-NUCLEOTIDASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		5 / 11 ILE A 179
GLY A 381
ARG A 383
PHE A 481
ASP A 487
 THM  A6510 (-3.6A)
THM  A6510 (-3.6A)
PO4  A5646 (-2.9A)
THM  A6510 (-3.7A)
THM  A6510 (-2.4A)
 1.31A 1ho5A-2z1aA:
38.5		 1ho5A-2z1aA:
31.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HO5_B_ADNB2604_1
(5'-NUCLEOTIDASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		5 / 10 ARG A 349
GLY A 379
ASN A 404
GLY A 432
ASP A 487
 PO4  A5646 (-2.9A)
None
THM  A6510 (-3.0A)
THM  A6510 (-3.2A)
THM  A6510 (-2.4A)
 1.30A 1ho5B-2z1aA:
37.9		 1ho5B-2z1aA:
31.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HO5_B_ADNB2604_1
(5'-NUCLEOTIDASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		8 / 10 ARG A 349
GLY A 380
ARG A 383
PHE A 402
ASN A 404
GLY A 432
PHE A 481
ASP A 487
 PO4  A5646 (-2.9A)
THM  A6510 (-4.1A)
PO4  A5646 (-2.9A)
THM  A6510 (-3.7A)
THM  A6510 (-3.0A)
THM  A6510 (-3.2A)
THM  A6510 (-3.7A)
THM  A6510 (-2.4A)
 0.73A 1ho5B-2z1aA:
37.9		 1ho5B-2z1aA:
31.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HO5_B_ADNB2604_1
(5'-NUCLEOTIDASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		5 / 10 ASN A 181
GLY A 380
ARG A 383
GLY A 432
ASP A 487
 THM  A6510 (-4.1A)
THM  A6510 (-4.1A)
PO4  A5646 (-2.9A)
THM  A6510 (-3.2A)
THM  A6510 (-2.4A)
 0.85A 1ho5B-2z1aA:
37.9		 1ho5B-2z1aA:
31.46
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.
1ICU_D_NIOD223_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		4 / 5 GLY A 121
SER A 180
THR A 176
PHE A 118
 None
THM  A6510 ( 4.7A)
None
None
 1.21A 1icuC-2z1aA:
undetectable
1icuD-2z1aA:
undetectable		 1icuC-2z1aA:
17.59
1icuD-2z1aA:
17.59
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.
1ICV_B_NIOB702_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		4 / 5 GLY A 121
SER A 180
THR A 176
PHE A 118
 None
THM  A6510 ( 4.7A)
None
None
 1.28A 1icvA-2z1aA:
undetectable
1icvB-2z1aA:
undetectable		 1icvA-2z1aA:
17.59
1icvB-2z1aA:
17.59
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.
1ICV_C_NIOC708_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		4 / 5 SER A 180
THR A 176
PHE A 118
GLY A 121
 THM  A6510 ( 4.7A)
None
None
None
 1.31A 1icvC-2z1aA:
undetectable
1icvD-2z1aA:
undetectable		 1icvC-2z1aA:
17.59
1icvD-2z1aA:
17.59
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.
1ICV_D_NIOD706_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		4 / 5 GLY A 121
SER A 180
THR A 176
PHE A 118
 None
THM  A6510 ( 4.7A)
None
None
 1.26A 1icvC-2z1aA:
undetectable
1icvD-2z1aA:
undetectable		 1icvC-2z1aA:
17.59
1icvD-2z1aA:
17.59
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.
1OE1_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		3 / 3 ASP A  83
HIS A 116
HIS A  39
 ZN  A5648 (-2.7A)
THM  A6510 ( 3.5A)
ZN  A5647 ( 3.4A)
 0.64A 1oe1A-2z1aA:
undetectable		 1oe1A-2z1aA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OE3_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		3 / 3 ASP A  83
HIS A 116
HIS A  39
 ZN  A5648 (-2.7A)
THM  A6510 ( 3.5A)
ZN  A5647 ( 3.4A)
 0.64A 1oe3A-2z1aA:
undetectable		 1oe3A-2z1aA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BM9_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 5idt GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E
(Burkholderia
vietnamiensis) 		5 / 12 LEU A  89
LEU A 107
GLY A 110
ASP A 111
ALA A  10
 None
None
None
THM  A 301 (-3.1A)
None
 1.07A 2bm9F-5idtA:
undetectable		 2bm9F-5idtA:
20.74
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.
2BR4_D_SAMD301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 5idt GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E
(Burkholderia
vietnamiensis) 		5 / 12 LEU A  89
LEU A 107
GLY A 110
ASP A 111
ALA A  10
 None
None
None
THM  A 301 (-3.1A)
None
 0.95A 2br4D-5idtA:
undetectable		 2br4D-5idtA:
20.40
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.
2XAD_E_GCSE710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		4 / 8 ARG A 349
ILE A 179
HIS A 215
ASP A  83
 PO4  A5646 (-2.9A)
THM  A6510 (-3.6A)
ZN  A5648 (-3.4A)
ZN  A5648 (-2.7A)
 1.08A 2xadA-2z1aA:
undetectable		 2xadA-2z1aA:
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.
2XAD_F_GCSF710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		4 / 8 ARG A 349
ILE A 179
HIS A 215
ASP A  83
 PO4  A5646 (-2.9A)
THM  A6510 (-3.6A)
ZN  A5648 (-3.4A)
ZN  A5648 (-2.7A)
 1.08A 2xadB-2z1aA:
undetectable		 2xadB-2z1aA:
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.
2XAD_G_GCSG710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		4 / 8 ARG A 349
ILE A 179
HIS A 215
ASP A  83
 PO4  A5646 (-2.9A)
THM  A6510 (-3.6A)
ZN  A5648 (-3.4A)
ZN  A5648 (-2.7A)
 1.09A 2xadC-2z1aA:
undetectable		 2xadC-2z1aA:
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.
2XAD_H_GCSH710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		4 / 8 ARG A 349
ILE A 179
HIS A 215
ASP A  83
 PO4  A5646 (-2.9A)
THM  A6510 (-3.6A)
ZN  A5648 (-3.4A)
ZN  A5648 (-2.7A)
 1.08A 2xadD-2z1aA:
undetectable		 2xadD-2z1aA:
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.
2XXG_A_CUA1338_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		3 / 3 ASP A  83
HIS A 116
HIS A  39
 ZN  A5648 (-2.7A)
THM  A6510 ( 3.5A)
ZN  A5647 ( 3.4A)
 0.65A 2xxgA-2z1aA:
undetectable		 2xxgA-2z1aA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XXG_C_CUC1339_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		3 / 3 ASP A  83
HIS A 116
HIS A  39
 ZN  A5648 (-2.7A)
THM  A6510 ( 3.5A)
ZN  A5647 ( 3.4A)
 0.66A 2xxgC-2z1aA:
undetectable		 2xxgC-2z1aA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IJD_B_C2FB314_1
(UNCHARACTERIZED
PROTEIN)		 5idt GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E
(Burkholderia
vietnamiensis) 		3 / 3 THR A 201
LYS A  26
GLU A 199
 None
THM  A 301 ( 3.8A)
None
 1.02A 3ijdB-5idtA:
undetectable		 3ijdB-5idtA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RAE_H_LFXH101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 4ho4 GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E
(Aneurinibacillus
thermoaerophilus) 		4 / 5 SER A  53
GLY A  85
GLU A 159
GLU A 196
 None
THM  A 302 (-3.6A)
G1P  A 301 (-2.8A)
None
 1.39A 3raeB-4ho4A:
undetectable
3raeD-4ho4A:
undetectable		 3raeB-4ho4A:
22.63
3raeD-4ho4A:
21.82
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.
3V8V_B_SAMB802_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)		 4ho4 GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E
(Aneurinibacillus
thermoaerophilus) 		5 / 12 SER A 167
TYR A 135
ASP A 108
ASP A 139
SER A 229
 None
None
THM  A 302 (-3.5A)
None
None
 1.21A 3v8vB-4ho4A:
undetectable		 3v8vB-4ho4A:
18.28
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.
3WDM_C_ADNC301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 4ho4 GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E
(Aneurinibacillus
thermoaerophilus) 		5 / 9 GLY A 172
LEU A  41
ASP A 108
LEU A 106
ILE A   5
 G1P  A 301 ( 4.2A)
None
THM  A 302 (-3.5A)
THM  A 302 (-4.2A)
None
 1.22A 3wdmC-4ho4A:
undetectable		 3wdmC-4ho4A:
24.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WDM_D_ADND301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 4ho4 GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E
(Aneurinibacillus
thermoaerophilus) 		5 / 10 GLY A 172
LEU A  41
ASP A 108
LEU A 106
ILE A   5
 G1P  A 301 ( 4.2A)
None
THM  A 302 (-3.5A)
THM  A 302 (-4.2A)
None
 1.17A 3wdmD-4ho4A:
undetectable		 3wdmD-4ho4A:
24.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ZTV_A_ADNA1600_1
(NAD NUCLEOTIDASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		6 / 9 ASN A 378
GLY A 379
GLY A 381
ASN A 404
GLY A 432
ASP A 487
 THM  A6510 (-3.4A)
None
THM  A6510 (-3.6A)
THM  A6510 (-3.0A)
THM  A6510 (-3.2A)
THM  A6510 (-2.4A)
 1.16A 3ztvA-2z1aA:
42.3		 3ztvA-2z1aA:
32.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ZTV_A_ADNA1600_1
(NAD NUCLEOTIDASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		7 / 9 ASN A 378
GLY A 380
GLY A 381
PHE A 402
ASN A 404
GLY A 432
ASP A 487
 THM  A6510 (-3.4A)
THM  A6510 (-4.1A)
THM  A6510 (-3.6A)
THM  A6510 (-3.7A)
THM  A6510 (-3.0A)
THM  A6510 (-3.2A)
THM  A6510 (-2.4A)
 0.36A 3ztvA-2z1aA:
42.3		 3ztvA-2z1aA:
32.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ZTV_A_ADNA1600_1
(NAD NUCLEOTIDASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		5 / 9 GLY A 380
GLY A 381
PHE A 402
ASN A 479
GLY A 432
 THM  A6510 (-4.1A)
THM  A6510 (-3.6A)
THM  A6510 (-3.7A)
THM  A6510 ( 4.7A)
THM  A6510 (-3.2A)
 1.08A 3ztvA-2z1aA:
42.3		 3ztvA-2z1aA:
32.90
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.
4CEV_A_GAIA407_0
(PROTEIN (ARGINASE))		 5bsz N-METHYLTRANSFERASE
(Streptoalloteich
us
sp.
ATCC
53650) 		4 / 6 ARG A 184
HIS A 185
LEU A 208
ASP A 205
 EDO  A 302 ( 4.4A)
THM  A 306 (-4.4A)
None
EDO  A 302 (-3.4A)
 1.06A 4cevA-5bszA:
4.2
4cevB-5bszA:
3.0		 4cevA-5bszA:
25.87
4cevB-5bszA:
25.87
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.
4CEV_C_GAIC409_0
(PROTEIN (ARGINASE))		 5bsz N-METHYLTRANSFERASE
(Streptoalloteich
us
sp.
ATCC
53650) 		4 / 6 ASP A 205
ARG A 184
HIS A 185
LEU A 208
 EDO  A 302 (-3.4A)
EDO  A 302 ( 4.4A)
THM  A 306 (-4.4A)
None
 1.05A 4cevA-5bszA:
4.3
4cevC-5bszA:
4.3		 4cevA-5bszA:
25.87
4cevC-5bszA:
25.87
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.
4CEV_D_GAID410_0
(PROTEIN (ARGINASE))		 5bsz N-METHYLTRANSFERASE
(Streptoalloteich
us
sp.
ATCC
53650) 		4 / 6 ARG A 184
HIS A 185
LEU A 208
ASP A 205
 EDO  A 302 ( 4.4A)
THM  A 306 (-4.4A)
None
EDO  A 302 (-3.4A)
 1.02A 4cevD-5bszA:
4.4
4cevE-5bszA:
4.5		 4cevD-5bszA:
25.87
4cevE-5bszA:
25.87
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.
4CEV_F_GAIF411_0
(PROTEIN (ARGINASE))		 5bsz N-METHYLTRANSFERASE
(Streptoalloteich
us
sp.
ATCC
53650) 		4 / 6 ARG A 184
HIS A 185
LEU A 208
ASP A 205
 EDO  A 302 ( 4.4A)
THM  A 306 (-4.4A)
None
EDO  A 302 (-3.4A)
 1.03A 4cevE-5bszA:
4.3
4cevF-5bszA:
4.7		 4cevE-5bszA:
25.87
4cevF-5bszA:
25.87
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		 5idt GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E
(Burkholderia
vietnamiensis) 		5 / 12 GLU A 162
LEU A 198
GLY A  88
VAL A 190
ALA A 187
 None
EDO  A 302 (-4.6A)
THM  A 301 (-3.5A)
None
None
 1.06A 4fqsA-5idtA:
undetectable		 4fqsA-5idtA:
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.
4FQS_B_LYAB302_1
(THYMIDYLATE SYNTHASE)		 5idt GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E
(Burkholderia
vietnamiensis) 		5 / 12 GLU A 162
LEU A 198
GLY A  88
VAL A 190
ALA A 187
 None
EDO  A 302 (-4.6A)
THM  A 301 (-3.5A)
None
None
 1.08A 4fqsB-5idtA:
undetectable		 4fqsB-5idtA:
22.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4H2F_A_ADNA601_1
(5'-NUCLEOTIDASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		6 / 9 ARG A 349
ASN A 378
GLY A 379
GLY A 381
GLY A 432
ASP A 487
 PO4  A5646 (-2.9A)
THM  A6510 (-3.4A)
None
THM  A6510 (-3.6A)
THM  A6510 (-3.2A)
THM  A6510 (-2.4A)
 1.12A 4h2fA-2z1aA:
45.3		 4h2fA-2z1aA:
37.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4H2F_A_ADNA601_1
(5'-NUCLEOTIDASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		9 / 9 ARG A 349
ASN A 378
GLY A 380
GLY A 381
ARG A 383
PHE A 402
GLY A 432
PHE A 481
ASP A 487
 PO4  A5646 (-2.9A)
THM  A6510 (-3.4A)
THM  A6510 (-4.1A)
THM  A6510 (-3.6A)
PO4  A5646 (-2.9A)
THM  A6510 (-3.7A)
THM  A6510 (-3.2A)
THM  A6510 (-3.7A)
THM  A6510 (-2.4A)
 0.57A 4h2fA-2z1aA:
45.3		 4h2fA-2z1aA:
37.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4H2G_A_ADNA603_1
(5'-NUCLEOTIDASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		7 / 9 ARG A 349
ASN A 378
GLY A 379
GLY A 381
PHE A 402
GLY A 432
ASP A 487
 PO4  A5646 (-2.9A)
THM  A6510 (-3.4A)
None
THM  A6510 (-3.6A)
THM  A6510 (-3.7A)
THM  A6510 (-3.2A)
THM  A6510 (-2.4A)
 1.15A 4h2gA-2z1aA:
45.5		 4h2gA-2z1aA:
37.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4H2G_A_ADNA603_1
(5'-NUCLEOTIDASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		9 / 9 ARG A 349
ASN A 378
GLY A 380
GLY A 381
ARG A 383
PHE A 402
GLY A 432
PHE A 481
ASP A 487
 PO4  A5646 (-2.9A)
THM  A6510 (-3.4A)
THM  A6510 (-4.1A)
THM  A6510 (-3.6A)
PO4  A5646 (-2.9A)
THM  A6510 (-3.7A)
THM  A6510 (-3.2A)
THM  A6510 (-3.7A)
THM  A6510 (-2.4A)
 0.63A 4h2gA-2z1aA:
45.5		 4h2gA-2z1aA:
37.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4H2G_A_ADNA603_1
(5'-NUCLEOTIDASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		5 / 9 ASN A 378
GLY A 380
ARG A 383
PHE A 402
ASP A 487
 THM  A6510 (-3.4A)
THM  A6510 (-4.1A)
PO4  A5646 (-2.9A)
THM  A6510 (-3.7A)
THM  A6510 (-2.4A)
 1.20A 4h2gA-2z1aA:
45.5		 4h2gA-2z1aA:
37.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LHM_A_AZZA510_1
(THYMIDINE
PHOSPHORYLASE)		 3h5q PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Staphylococcus
aureus) 		9 / 11 THR A  84
TYR A 165
ARG A 168
VAL A 174
ILE A 180
SER A 183
LYS A 187
MET A 208
LEU A 217
 None
THM  A 434 (-4.0A)
THM  A 434 (-2.7A)
None
THM  A 434 (-4.2A)
THM  A 434 (-2.7A)
THM  A 434 (-2.8A)
None
None
 0.48A 4lhmA-3h5qA:
52.3		 4lhmA-3h5qA:
42.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LVC_B_ADNB501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		5 / 12 HIS A 215
THR A 172
ASP A  83
ASP A 119
HIS A 240
 ZN  A5648 (-3.4A)
None
ZN  A5648 (-2.7A)
THM  A6510 (-3.7A)
ZN  A5647 ( 3.5A)
 1.42A 4lvcB-2z1aA:
2.2		 4lvcB-2z1aA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_B_ADNB401_1
(ADENOSINE KINASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		5 / 12 GLY A 381
GLY A 380
ASN A 378
GLY A 486
ASP A 487
 THM  A6510 (-3.6A)
THM  A6510 (-4.1A)
THM  A6510 (-3.4A)
None
THM  A6510 (-2.4A)
 0.89A 4n09B-2z1aA:
undetectable		 4n09B-2z1aA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_C_ADNC401_1
(ADENOSINE KINASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		5 / 12 GLY A 381
GLY A 380
ASN A 378
GLY A 486
ASP A 487
 THM  A6510 (-3.6A)
THM  A6510 (-4.1A)
THM  A6510 (-3.4A)
None
THM  A6510 (-2.4A)
 0.90A 4n09C-2z1aA:
undetectable		 4n09C-2z1aA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9U_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		5 / 10 ASP A  83
ARG A 383
THR A 173
THR A 176
ASP A 119
 ZN  A5648 (-2.7A)
PO4  A5646 (-2.9A)
None
None
THM  A6510 (-3.7A)
 1.49A 4n9uA-2z1aA:
undetectable		 4n9uA-2z1aA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVV_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		4 / 8 THR A 360
GLY A 379
GLY A 381
ASP A 506
 None
None
THM  A6510 (-3.6A)
None
 0.74A 4qvvK-2z1aA:
undetectable
4qvvL-2z1aA:
undetectable		 4qvvK-2z1aA:
17.80
4qvvL-2z1aA:
17.33
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.
4QVV_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		4 / 8 THR A 360
GLY A 379
GLY A 381
ASP A 506
 None
None
THM  A6510 (-3.6A)
None
 0.74A 4qvvY-2z1aA:
undetectable
4qvvZ-2z1aA:
undetectable		 4qvvY-2z1aA:
17.80
4qvvZ-2z1aA:
17.33
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.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		5 / 12 GLY A 381
GLY A 380
ASN A 378
ALA A 431
ASP A 487
 THM  A6510 (-3.6A)
THM  A6510 (-4.1A)
THM  A6510 (-3.4A)
None
THM  A6510 (-2.4A)
 1.14A 4ubeA-2z1aA:
undetectable		 4ubeA-2z1aA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		5 / 12 HIS A 215
THR A 172
ASP A  83
ASP A 119
HIS A 240
 ZN  A5648 (-3.4A)
None
ZN  A5648 (-2.7A)
THM  A6510 (-3.7A)
ZN  A5647 ( 3.5A)
 1.48A 5hm8A-2z1aA:
2.4		 5hm8A-2z1aA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_B_ADNB501_1
(ADENOSYLHOMOCYSTEINA
SE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		5 / 12 HIS A 215
THR A 172
ASP A  83
ASP A 119
HIS A 240
 ZN  A5648 (-3.4A)
None
ZN  A5648 (-2.7A)
THM  A6510 (-3.7A)
ZN  A5647 ( 3.5A)
 1.48A 5hm8B-2z1aA:
2.4		 5hm8B-2z1aA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_C_ADNC501_1
(ADENOSYLHOMOCYSTEINA
SE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		5 / 12 HIS A 215
THR A 172
ASP A  83
ASP A 119
HIS A 240
 ZN  A5648 (-3.4A)
None
ZN  A5648 (-2.7A)
THM  A6510 (-3.7A)
ZN  A5647 ( 3.5A)
 1.49A 5hm8C-2z1aA:
2.4		 5hm8C-2z1aA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_D_ADND501_1
(ADENOSYLHOMOCYSTEINA
SE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		5 / 12 HIS A 215
THR A 172
ASP A  83
ASP A 119
HIS A 240
 ZN  A5648 (-3.4A)
None
ZN  A5648 (-2.7A)
THM  A6510 (-3.7A)
ZN  A5647 ( 3.5A)
 1.49A 5hm8D-2z1aA:
2.4		 5hm8D-2z1aA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_E_ADNE501_1
(ADENOSYLHOMOCYSTEINA
SE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		5 / 12 HIS A 215
THR A 172
ASP A  83
ASP A 119
HIS A 240
 ZN  A5648 (-3.4A)
None
ZN  A5648 (-2.7A)
THM  A6510 (-3.7A)
ZN  A5647 ( 3.5A)
 1.49A 5hm8E-2z1aA:
undetectable		 5hm8E-2z1aA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_F_ADNF501_1
(ADENOSYLHOMOCYSTEINA
SE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		5 / 12 HIS A 215
THR A 172
ASP A  83
ASP A 119
HIS A 240
 ZN  A5648 (-3.4A)
None
ZN  A5648 (-2.7A)
THM  A6510 (-3.7A)
ZN  A5647 ( 3.5A)
 1.49A 5hm8F-2z1aA:
undetectable		 5hm8F-2z1aA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_G_ADNG501_1
(ADENOSYLHOMOCYSTEINA
SE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		5 / 12 HIS A 215
THR A 172
ASP A  83
ASP A 119
HIS A 240
 ZN  A5648 (-3.4A)
None
ZN  A5648 (-2.7A)
THM  A6510 (-3.7A)
ZN  A5647 ( 3.5A)
 1.48A 5hm8G-2z1aA:
undetectable		 5hm8G-2z1aA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_H_ADNH501_1
(ADENOSYLHOMOCYSTEINA
SE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		5 / 12 HIS A 215
THR A 172
ASP A  83
ASP A 119
HIS A 240
 ZN  A5648 (-3.4A)
None
ZN  A5648 (-2.7A)
THM  A6510 (-3.7A)
ZN  A5647 ( 3.5A)
 1.49A 5hm8H-2z1aA:
undetectable		 5hm8H-2z1aA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 4ho4 GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E
(Aneurinibacillus
thermoaerophilus) 		5 / 12 GLU A 159
LEU A 195
GLY A  85
ILE A 187
ALA A 184
 G1P  A 301 (-2.8A)
None
THM  A 302 (-3.6A)
None
None
 0.93A 5j7wD-4ho4A:
undetectable		 5j7wD-4ho4A:
23.68
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.
5JVZ_A_FLPA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5idt GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E
(Burkholderia
vietnamiensis) 		5 / 12 LEU A  28
LEU A  68
GLY A  11
ALA A  10
SER A  56
 None
None
THM  A 301 (-2.9A)
None
None
 1.06A 5jvzA-5idtA:
undetectable		 5jvzA-5idtA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JVZ_B_FLPB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5idt GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E
(Burkholderia
vietnamiensis) 		5 / 12 LEU A  28
LEU A  68
GLY A  11
ALA A  10
SER A  56
 None
None
THM  A 301 (-2.9A)
None
None
 1.01A 5jvzB-5idtA:
undetectable		 5jvzB-5idtA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M5C_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		5 / 12 HIS A 215
LEU A 113
SER A 180
ARG A 383
GLY A  87
 ZN  A5648 (-3.4A)
None
THM  A6510 ( 4.7A)
PO4  A5646 (-2.9A)
None
 0.92A 5m5cB-2z1aA:
undetectable		 5m5cB-2z1aA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_D_ACTD301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		4 / 4 ASP A  83
HIS A 215
HIS A 238
HIS A 116
 ZN  A5648 (-2.7A)
ZN  A5648 (-3.4A)
ZN  A5648 ( 3.3A)
THM  A6510 ( 3.5A)
 1.47A 5ncdD-2z1aA:
undetectable		 5ncdD-2z1aA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NWW_A_ACAA18_1
(SCRFP-TAG,GP41)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		5 / 12 GLY A 362
LYS A 366
ASN A 479
LEU A 376
LEU A 435
 None
None
THM  A6510 ( 4.7A)
None
None
 1.12A 5nwwA-2z1aA:
undetectable		 5nwwA-2z1aA:
6.67
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.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		 2z1a 5'-NUCLEOTIDASE
(Thermus
thermophilus) 		4 / 6 LEU A 125
PHE A 118
ASP A 119
HIS A 215
 None
None
THM  A6510 (-3.7A)
ZN  A5648 (-3.4A)
 1.10A 5om3A-2z1aA:
undetectable
5om3B-2z1aA:
undetectable		 5om3A-2z1aA:
10.20
5om3B-2z1aA:
5.41
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.
5X7P_A_ACRA1401_2
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 4ho4 GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E
(Aneurinibacillus
thermoaerophilus) 		5 / 9 GLN A  88
GLN A  80
ASP A 108
GLY A 193
SER A 190
 None
THM  A 302 (-3.0A)
THM  A 302 (-3.5A)
None
None
 1.47A 5x7pB-4ho4A:
0.4		 5x7pB-4ho4A:
12.58
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.
5X7P_B_ACRB1401_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5idt GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E
(Burkholderia
vietnamiensis) 		5 / 9 GLN A  91
GLN A  83
ASP A 111
GLY A 196
SER A 193
 EDO  A 302 (-3.5A)
THM  A 301 (-3.1A)
THM  A 301 (-3.1A)
None
None
 1.23A 5x7pA-5idtA:
0.5		 5x7pA-5idtA:
13.57