SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1tmx'

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.
1S9A_A_BEZA306_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		7 / 11 GLY A 109
PRO A 110
TYR A 164
TYR A 197
ARG A 218
HIS A 221
HIS A 223
 BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.3A)
FE  A 861 (-4.2A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-3.8A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
 0.30A 1s9aA-1tmxA:
28.4		 1s9aA-1tmxA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9A_A_BEZA306_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		6 / 11 LEU A  80
GLY A 109
TYR A 197
ARG A 218
HIS A 221
HIS A 223
 None
BEZ  A 881 (-3.5A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-3.8A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
 1.05A 1s9aA-1tmxA:
28.4		 1s9aA-1tmxA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9A_B_BEZB307_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		5 / 12 ASP A  83
TYR A 164
TYR A 197
HIS A 221
HIS A 223
 BEZ  A 881 (-3.8A)
FE  A 861 (-4.2A)
FE  A 861 ( 4.4A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
 0.83A 1s9aB-1tmxA:
28.8		 1s9aB-1tmxA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9A_B_BEZB307_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		7 / 12 GLY A 109
PRO A 110
TYR A 164
TYR A 197
ARG A 218
HIS A 221
HIS A 223
 BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.3A)
FE  A 861 (-4.2A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-3.8A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
 0.31A 1s9aB-1tmxA:
28.8		 1s9aB-1tmxA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9A_B_BEZB307_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		6 / 12 LEU A  80
GLY A 109
TYR A 197
ARG A 218
HIS A 221
HIS A 223
 None
BEZ  A 881 (-3.5A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-3.8A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
 0.87A 1s9aB-1tmxA:
28.8		 1s9aB-1tmxA:
30.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TMX_A_BEZA881_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		6 / 11 LEU A  80
ASP A  83
GLY A 109
ILE A 199
HIS A 221
HIS A 237
 None
BEZ  A 881 (-3.8A)
BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.1A)
FE  A 861 ( 3.3A)
None
 1.43A 1tmxA-1tmxA:
42.9		 1tmxA-1tmxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TMX_A_BEZA881_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		9 / 11 LEU A  80
ASP A  83
GLY A 109
PRO A 110
ILE A 199
ARG A 218
HIS A 237
HIS A 223
VAL A 251
 None
BEZ  A 881 (-3.8A)
BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.3A)
BEZ  A 881 (-4.1A)
BEZ  A 881 (-3.8A)
None
FE  A 861 ( 3.4A)
BEZ  A 881 ( 4.8A)
 1.26A 1tmxA-1tmxA:
42.9		 1tmxA-1tmxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TMX_A_BEZA881_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		11 / 11 LEU A  80
ASP A  83
GLY A 109
PRO A 110
TYR A 164
TYR A 197
ILE A 199
ARG A 218
HIS A 221
HIS A 223
VAL A 251
 None
BEZ  A 881 (-3.8A)
BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.3A)
FE  A 861 (-4.2A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-4.1A)
BEZ  A 881 (-3.8A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
BEZ  A 881 ( 4.8A)
 0.00A 1tmxA-1tmxA:
42.9		 1tmxA-1tmxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		7 / 12 LEU A  80
ASP A  83
GLY A 109
ILE A 199
HIS A 221
HIS A 237
VAL A 251
 None
BEZ  A 881 (-3.8A)
BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.1A)
FE  A 861 ( 3.3A)
None
BEZ  A 881 ( 4.8A)
 1.39A 1tmxB-1tmxA:
38.5		 1tmxB-1tmxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		9 / 12 LEU A  80
ASP A  83
GLY A 109
PRO A 110
ILE A 199
ARG A 218
HIS A 237
HIS A 223
VAL A 251
 None
BEZ  A 881 (-3.8A)
BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.3A)
BEZ  A 881 (-4.1A)
BEZ  A 881 (-3.8A)
None
FE  A 861 ( 3.4A)
BEZ  A 881 ( 4.8A)
 1.38A 1tmxB-1tmxA:
38.5		 1tmxB-1tmxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		12 / 12 LEU A  80
ASP A  83
GLY A 109
PRO A 110
TYR A 164
TYR A 197
ILE A 199
ARG A 218
HIS A 221
HIS A 223
HIS A 237
VAL A 251
 None
BEZ  A 881 (-3.8A)
BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.3A)
FE  A 861 (-4.2A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-4.1A)
BEZ  A 881 (-3.8A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
None
BEZ  A 881 ( 4.8A)
 0.56A 1tmxB-1tmxA:
38.5		 1tmxB-1tmxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		8 / 12 LEU A  80
ASP A  83
GLY A 109
PRO A 110
TYR A 197
ILE A 199
HIS A 221
HIS A 223
 None
BEZ  A 881 (-3.8A)
BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.3A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-4.1A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
 1.42A 1tmxB-1tmxA:
38.5		 1tmxB-1tmxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		6 / 12 LEU A  80
ASP A  83
GLY A 109
TYR A 164
HIS A 221
HIS A 237
 None
BEZ  A 881 (-3.8A)
BEZ  A 881 (-3.5A)
FE  A 861 (-4.2A)
FE  A 861 ( 3.3A)
None
 1.45A 1tmxB-1tmxA:
38.5		 1tmxB-1tmxA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIN_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		4 / 8 ILE A 238
LEU A 222
PHE A 224
TYR A 187
 None
 0.93A 2einA-1tmxA:
undetectable
2einJ-1tmxA:
undetectable		 2einA-1tmxA:
20.53
2einJ-1tmxA:
11.92
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.
2ZXW_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		4 / 7 ILE A 238
LEU A 222
PHE A 224
TYR A 187
 None
 0.98A 2zxwN-1tmxA:
2.1
2zxwW-1tmxA:
0.0		 2zxwN-1tmxA:
20.53
2zxwW-1tmxA:
11.92
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.
3ADS_B_IMNB3_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		5 / 12 GLY A 186
LEU A 290
LEU A 234
VAL A 226
ILE A 153
 None
 1.25A 3adsB-1tmxA:
undetectable		 3adsB-1tmxA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		4 / 7 ILE A 238
LEU A 222
PHE A 224
TYR A 187
 None
 1.02A 3ag2N-1tmxA:
2.6
3ag2W-1tmxA:
undetectable		 3ag2N-1tmxA:
20.53
3ag2W-1tmxA:
11.92
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.
3AG3_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		4 / 8 ILE A 238
LEU A 222
PHE A 224
TYR A 187
 None
 0.94A 3ag3N-1tmxA:
2.0
3ag3W-1tmxA:
0.0		 3ag3N-1tmxA:
20.53
3ag3W-1tmxA:
11.92
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.
3AG4_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		4 / 7 ILE A 238
LEU A 222
PHE A 224
TYR A 187
 None
 1.06A 3ag4N-1tmxA:
2.0
3ag4W-1tmxA:
undetectable		 3ag4N-1tmxA:
20.53
3ag4W-1tmxA:
11.92
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.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		7 / 12 GLY A 109
PRO A 110
TYR A 164
TYR A 197
ARG A 218
HIS A 221
HIS A 223
 BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.3A)
FE  A 861 (-4.2A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-3.8A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
 0.39A 3hgiA-1tmxA:
27.7		 3hgiA-1tmxA:
29.41
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.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		6 / 12 LEU A  80
GLY A 109
TYR A 197
ARG A 218
HIS A 221
HIS A 223
 None
BEZ  A 881 (-3.5A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-3.8A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
 0.87A 3hgiA-1tmxA:
27.7		 3hgiA-1tmxA:
29.41
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.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		5 / 12 LEU A  80
VAL A 251
GLY A 109
TYR A 197
HIS A 223
 None
BEZ  A 881 ( 4.8A)
BEZ  A 881 (-3.5A)
FE  A 861 ( 4.4A)
FE  A 861 ( 3.4A)
 1.40A 3hgiA-1tmxA:
27.7		 3hgiA-1tmxA:
29.41
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.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		5 / 12 VAL A 251
GLY A 109
TYR A 164
TYR A 197
HIS A 223
 BEZ  A 881 ( 4.8A)
BEZ  A 881 (-3.5A)
FE  A 861 (-4.2A)
FE  A 861 ( 4.4A)
FE  A 861 ( 3.4A)
 1.23A 3hgiA-1tmxA:
27.7		 3hgiA-1tmxA:
29.41
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.
3HRD_B_NIOB5661_1
(NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		4 / 8 ILE A 192
ALA A 175
ARG A 176
LEU A 222
 None
 0.90A 3hrdA-1tmxA:
undetectable
3hrdB-1tmxA:
undetectable		 3hrdA-1tmxA:
21.72
3hrdB-1tmxA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HS6_B_EPAB1_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		5 / 7 PHE A 189
VAL A 136
VAL A 284
SER A 261
VAL A 259
 None
 1.48A 3hs6B-1tmxA:
undetectable		 3hs6B-1tmxA:
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.
3ILT_E_TRUE800_1
(GLUTAMATE RECEPTOR 2)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		5 / 10 ILE A 238
SER A 220
LYS A 260
LEU A 258
LEU A 246
 None
 1.41A 3iltB-1tmxA:
undetectable
3iltE-1tmxA:
undetectable		 3iltB-1tmxA:
22.07
3iltE-1tmxA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3XIM_A_SORA397_0
(D-XYLOSE ISOMERASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		5 / 12 MET A  89
THR A 106
VAL A 107
ASP A 249
ASP A 243
 None
 1.25A 3ximA-1tmxA:
undetectable		 3ximA-1tmxA:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3XIM_C_SORC397_0
(D-XYLOSE ISOMERASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		5 / 12 MET A  89
THR A 106
VAL A 107
ASP A 249
ASP A 243
 None
 1.17A 3ximC-1tmxA:
undetectable		 3ximC-1tmxA:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DVO_A_SORA404_0
(XYLOSE ISOMERASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		5 / 12 MET A  89
THR A 106
VAL A 107
ASP A 249
ASP A 243
 None
 1.15A 4dvoA-1tmxA:
undetectable		 4dvoA-1tmxA:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QWU_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		5 / 9 ALA A 151
ALA A 228
GLY A 186
GLY A 185
ASP A 142
 None
 1.14A 4qwuK-1tmxA:
undetectable
4qwuL-1tmxA:
undetectable		 4qwuK-1tmxA:
22.03
4qwuL-1tmxA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		4 / 5 ILE A 125
VAL A 155
PHE A 239
CYH A 134
 None
 1.03A 4rzvA-1tmxA:
undetectable		 4rzvA-1tmxA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		4 / 6 ILE A 238
LEU A 222
PHE A 224
TYR A 187
 None
 0.97A 5b1aN-1tmxA:
2.0
5b1aW-1tmxA:
undetectable		 5b1aN-1tmxA:
20.53
5b1aW-1tmxA:
11.92
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.
5V4V_A_NCAA402_0
(NADPH DEHYDROGENASE
3)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		4 / 8 HIS A 221
TYR A 197
PHE A 111
PRO A 110
 FE  A 861 ( 3.3A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-4.6A)
BEZ  A 881 (-4.3A)
 1.28A 5v4vA-1tmxA:
undetectable		 5v4vA-1tmxA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V4V_B_NCAB402_0
(NADPH DEHYDROGENASE
3)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		4 / 8 HIS A 221
TYR A 197
PHE A 111
PRO A 110
 FE  A 861 ( 3.3A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-4.6A)
BEZ  A 881 (-4.3A)
 1.26A 5v4vB-1tmxA:
undetectable		 5v4vB-1tmxA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CHG_C_SAMC1101_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-4 SPECIFIC)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		5 / 12 ILE A 238
HIS A 237
TYR A 197
LEU A 258
LEU A 246
 None
None
FE  A 861 ( 4.4A)
None
None
 1.08A 6chgC-1tmxA:
undetectable		 6chgC-1tmxA:
19.11