SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'DTD'


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.
1FKO_A_EFZA999_1
(HIV-1 RT, A-CHAIN)		 3oqv ALBC
(Streptomyces
noursei) 		5 / 10 LEU A 185
VAL A 131
TYR A 128
GLY A 191
LEU A  33
 DTD  A 248 ( 4.9A)
None
None
None
None
 1.30A 1fkoA-3oqvA:
undetectable		 1fkoA-3oqvA:
18.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S9A_A_BEZA306_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		8 / 11 ASP A  51
ILE A  73
PRO A  76
TYR A 164
ARG A 185
HIS A 188
HIS A 190
CYH A 218
 DTD  A 301 (-4.1A)
DTD  A 301 (-4.9A)
DTD  A 301 (-4.5A)
DTD  A 301 ( 3.9A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
FE  A 300 (-3.3A)
DTD  A 301 ( 4.3A)
 0.87A 1s9aA-3th1A:
28.8		 1s9aA-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S9A_A_BEZA306_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		9 / 11 ILE A  73
GLY A  75
PRO A  76
TYR A 130
TYR A 164
ARG A 185
HIS A 188
HIS A 190
CYH A 218
 DTD  A 301 (-4.9A)
DTD  A 301 (-3.5A)
DTD  A 301 (-4.5A)
FE  A 300 (-3.9A)
DTD  A 301 ( 3.9A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
FE  A 300 (-3.3A)
DTD  A 301 ( 4.3A)
 0.77A 1s9aA-3th1A:
28.8		 1s9aA-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S9A_A_BEZA306_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		6 / 11 ILE A  73
PRO A  76
TYR A 130
ARG A 185
HIS A 188
CYH A 218
 DTD  A 301 (-4.9A)
DTD  A 301 (-4.5A)
FE  A 300 (-3.9A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
DTD  A 301 ( 4.3A)
 1.42A 1s9aA-3th1A:
28.8		 1s9aA-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S9A_A_BEZA306_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		6 / 11 LEU A  48
ASP A  51
ILE A  73
TYR A  77
TYR A 164
CYH A 218
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.1A)
DTD  A 301 (-4.9A)
None
DTD  A 301 ( 3.9A)
DTD  A 301 ( 4.3A)
 1.34A 1s9aA-3th1A:
28.8		 1s9aA-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S9A_A_BEZA306_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		7 / 11 LEU A  48
ASP A  51
ILE A  73
TYR A 164
ARG A 185
HIS A 188
CYH A 218
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.1A)
DTD  A 301 (-4.9A)
DTD  A 301 ( 3.9A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
DTD  A 301 ( 4.3A)
 0.82A 1s9aA-3th1A:
28.8		 1s9aA-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S9A_A_BEZA306_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		7 / 11 LEU A  48
ILE A  73
GLY A  75
TYR A 164
ARG A 185
HIS A 188
CYH A 218
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.9A)
DTD  A 301 (-3.5A)
DTD  A 301 ( 3.9A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
DTD  A 301 ( 4.3A)
 0.96A 1s9aA-3th1A:
28.8		 1s9aA-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S9A_B_BEZB307_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		9 / 12 ASP A  51
ILE A  73
TYR A 130
TYR A 164
ARG A 185
HIS A 188
HIS A 190
GLN A 204
CYH A 218
 DTD  A 301 (-4.1A)
DTD  A 301 (-4.9A)
FE  A 300 (-3.9A)
DTD  A 301 ( 3.9A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
FE  A 300 (-3.3A)
DTD  A 301 ( 4.5A)
DTD  A 301 ( 4.3A)
 0.66A 1s9aB-3th1A:
28.9		 1s9aB-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S9A_B_BEZB307_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		7 / 12 ILE A  73
GLY A  75
PRO A  76
TYR A 130
HIS A 188
GLN A 204
CYH A 218
 DTD  A 301 (-4.9A)
DTD  A 301 (-3.5A)
DTD  A 301 (-4.5A)
FE  A 300 (-3.9A)
FE  A 300 (-3.5A)
DTD  A 301 ( 4.5A)
DTD  A 301 ( 4.3A)
 1.36A 1s9aB-3th1A:
28.9		 1s9aB-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S9A_B_BEZB307_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		10 / 12 ILE A  73
GLY A  75
PRO A  76
TYR A 130
TYR A 164
ARG A 185
HIS A 188
HIS A 190
GLN A 204
CYH A 218
 DTD  A 301 (-4.9A)
DTD  A 301 (-3.5A)
DTD  A 301 (-4.5A)
FE  A 300 (-3.9A)
DTD  A 301 ( 3.9A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
FE  A 300 (-3.3A)
DTD  A 301 ( 4.5A)
DTD  A 301 ( 4.3A)
 0.62A 1s9aB-3th1A:
28.9		 1s9aB-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S9A_B_BEZB307_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		6 / 12 ILE A  73
GLY A  75
PRO A  76
TYR A 164
HIS A 188
GLN A 204
 DTD  A 301 (-4.9A)
DTD  A 301 (-3.5A)
DTD  A 301 (-4.5A)
DTD  A 301 ( 3.9A)
FE  A 300 (-3.5A)
DTD  A 301 ( 4.5A)
 1.36A 1s9aB-3th1A:
28.9		 1s9aB-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S9A_B_BEZB307_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		6 / 12 LEU A  48
ASP A  51
ILE A  73
HIS A 188
GLN A 204
CYH A 218
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.1A)
DTD  A 301 (-4.9A)
FE  A 300 (-3.5A)
DTD  A 301 ( 4.5A)
DTD  A 301 ( 4.3A)
 1.35A 1s9aB-3th1A:
28.9		 1s9aB-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S9A_B_BEZB307_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		9 / 12 LEU A  48
ASP A  51
ILE A  73
TYR A 164
ARG A 185
HIS A 188
HIS A 190
GLN A 204
CYH A 218
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.1A)
DTD  A 301 (-4.9A)
DTD  A 301 ( 3.9A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
FE  A 300 (-3.3A)
DTD  A 301 ( 4.5A)
DTD  A 301 ( 4.3A)
 0.73A 1s9aB-3th1A:
28.9		 1s9aB-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S9A_B_BEZB307_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		6 / 12 LEU A  48
ILE A  73
GLY A  75
HIS A 188
GLN A 204
CYH A 218
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.9A)
DTD  A 301 (-3.5A)
FE  A 300 (-3.5A)
DTD  A 301 ( 4.5A)
DTD  A 301 ( 4.3A)
 1.31A 1s9aB-3th1A:
28.9		 1s9aB-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S9A_B_BEZB307_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		9 / 12 LEU A  48
ILE A  73
GLY A  75
TYR A 164
ARG A 185
HIS A 188
HIS A 190
GLN A 204
CYH A 218
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.9A)
DTD  A 301 (-3.5A)
DTD  A 301 ( 3.9A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
FE  A 300 (-3.3A)
DTD  A 301 ( 4.5A)
DTD  A 301 ( 4.3A)
 0.82A 1s9aB-3th1A:
28.9		 1s9aB-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S9A_B_BEZB307_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		6 / 12 LEU A  48
ILE A  73
GLY A  75
TYR A 164
HIS A 188
GLN A 204
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.9A)
DTD  A 301 (-3.5A)
DTD  A 301 ( 3.9A)
FE  A 300 (-3.5A)
DTD  A 301 ( 4.5A)
 1.30A 1s9aB-3th1A:
28.9		 1s9aB-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S9A_B_BEZB307_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		5 / 12 LEU A  48
TYR A 164
ARG A 185
HIS A 188
CYH A 217
 DTD  A 301 ( 4.8A)
DTD  A 301 ( 3.9A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
None
 1.00A 1s9aB-3th1A:
28.9		 1s9aB-3th1A:
36.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TMX_A_BEZA881_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		8 / 11 LEU A  48
ASP A  51
GLY A  75
PRO A  76
TYR A 130
TYR A 164
HIS A 188
HIS A 190
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.1A)
DTD  A 301 (-3.5A)
DTD  A 301 (-4.5A)
FE  A 300 (-3.9A)
DTD  A 301 ( 3.9A)
FE  A 300 (-3.5A)
FE  A 300 (-3.3A)
 1.02A 1tmxA-3th1A:
26.8		 1tmxA-3th1A:
28.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TMX_A_BEZA881_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		9 / 11 LEU A  48
GLY A  75
PRO A  76
TYR A 130
TYR A 164
ILE A 166
ARG A 185
HIS A 188
HIS A 190
 DTD  A 301 ( 4.8A)
DTD  A 301 (-3.5A)
DTD  A 301 (-4.5A)
FE  A 300 (-3.9A)
DTD  A 301 ( 3.9A)
DTD  A 301 ( 4.5A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
FE  A 300 (-3.3A)
 0.78A 1tmxA-3th1A:
26.8		 1tmxA-3th1A:
28.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TMX_A_BEZA881_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		6 / 11 LEU A  48
PRO A  76
TYR A 130
ILE A 166
ARG A 185
HIS A 188
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.5A)
FE  A 300 (-3.9A)
DTD  A 301 ( 4.5A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
 1.37A 1tmxA-3th1A:
26.8		 1tmxA-3th1A:
28.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		8 / 12 LEU A  48
ASP A  51
GLY A  75
PRO A  76
TYR A 130
TYR A 164
HIS A 188
HIS A 190
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.1A)
DTD  A 301 (-3.5A)
DTD  A 301 (-4.5A)
FE  A 300 (-3.9A)
DTD  A 301 ( 3.9A)
FE  A 300 (-3.5A)
FE  A 300 (-3.3A)
 0.80A 1tmxB-3th1A:
26.8		 1tmxB-3th1A:
28.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		7 / 12 LEU A  48
GLY A  75
PRO A  76
ILE A 166
ARG A 185
HIS A 190
HIS A 188
 DTD  A 301 ( 4.8A)
DTD  A 301 (-3.5A)
DTD  A 301 (-4.5A)
DTD  A 301 ( 4.5A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.3A)
FE  A 300 (-3.5A)
 1.49A 1tmxB-3th1A:
26.8		 1tmxB-3th1A:
28.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		9 / 12 LEU A  48
GLY A  75
PRO A  76
TYR A 130
TYR A 164
ILE A 166
ARG A 185
HIS A 188
HIS A 190
 DTD  A 301 ( 4.8A)
DTD  A 301 (-3.5A)
DTD  A 301 (-4.5A)
FE  A 300 (-3.9A)
DTD  A 301 ( 3.9A)
DTD  A 301 ( 4.5A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
FE  A 300 (-3.3A)
 0.61A 1tmxB-3th1A:
26.8		 1tmxB-3th1A:
28.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		5 / 12 LEU A  48
PRO A  76
TYR A 130
ILE A 166
HIS A 188
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.5A)
FE  A 300 (-3.9A)
DTD  A 301 ( 4.5A)
FE  A 300 (-3.5A)
 1.19A 1tmxB-3th1A:
26.8		 1tmxB-3th1A:
28.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZLQ_A_ACTA1502_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 3mzb NICKEL-BINDING
PERIPLASMIC PROTEIN
(Escherichia
coli) 		5 / 5 TRP A  10
PRO A  11
GLY A 219
ASN A 220
GLY A 222
 DTD  A 522 (-4.0A)
DTD  A 522 (-4.2A)
DTD  A 522 (-3.4A)
DTD  A 522 (-3.0A)
DTD  A 522 (-3.7A)
 0.31A 1zlqA-3mzbA:
61.6		 1zlqA-3mzbA:
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.
2H21_B_SAMB802_0
(RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E)		 3mzb NICKEL-BINDING
PERIPLASMIC PROTEIN
(Escherichia
coli) 		5 / 11 GLU A 221
GLY A 222
LEU A 223
PRO A  11
ASN A 220
 None
DTD  A 522 (-3.7A)
DTD  A 522 ( 4.8A)
DTD  A 522 (-4.2A)
DTD  A 522 (-3.0A)
 1.35A 2h21B-3mzbA:
undetectable		 2h21B-3mzbA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2H21_C_SAMC803_0
(RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E)		 3mzb NICKEL-BINDING
PERIPLASMIC PROTEIN
(Escherichia
coli) 		5 / 11 GLU A 221
GLY A 222
LEU A 223
PRO A  11
ASN A 220
 None
DTD  A 522 (-3.7A)
DTD  A 522 ( 4.8A)
DTD  A 522 (-4.2A)
DTD  A 522 (-3.0A)
 1.45A 2h21C-3mzbA:
undetectable		 2h21C-3mzbA:
23.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		7 / 12 ASP A  51
ILE A  73
PRO A  76
TYR A 130
TYR A 164
ARG A 185
HIS A 188
 DTD  A 301 (-4.1A)
DTD  A 301 (-4.9A)
DTD  A 301 (-4.5A)
FE  A 300 (-3.9A)
DTD  A 301 ( 3.9A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
 0.89A 3hgiA-3th1A:
29.5		 3hgiA-3th1A:
35.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		9 / 12 ILE A  73
GLY A  75
PRO A  76
TYR A  77
TYR A 130
TYR A 164
ARG A 185
HIS A 188
HIS A 190
 DTD  A 301 (-4.9A)
DTD  A 301 (-3.5A)
DTD  A 301 (-4.5A)
None
FE  A 300 (-3.9A)
DTD  A 301 ( 3.9A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
FE  A 300 (-3.3A)
 0.69A 3hgiA-3th1A:
29.5		 3hgiA-3th1A:
35.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		7 / 12 LEU A  48
ASP A  51
ILE A  73
PRO A  76
TYR A 164
ARG A 185
HIS A 188
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.1A)
DTD  A 301 (-4.9A)
DTD  A 301 (-4.5A)
DTD  A 301 ( 3.9A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
 0.97A 3hgiA-3th1A:
29.5		 3hgiA-3th1A:
35.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		5 / 12 LEU A  48
ASP A  51
VAL A  52
ILE A  73
ARG A 185
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.1A)
None
DTD  A 301 (-4.9A)
DTD  A 301 (-4.2A)
 0.73A 3hgiA-3th1A:
29.5		 3hgiA-3th1A:
35.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		5 / 12 LEU A  48
ASP A  51
VAL A  52
ILE A  73
TYR A 164
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.1A)
None
DTD  A 301 (-4.9A)
DTD  A 301 ( 3.9A)
 1.18A 3hgiA-3th1A:
29.5		 3hgiA-3th1A:
35.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		8 / 12 LEU A  48
ILE A  73
GLY A  75
PRO A  76
TYR A 164
ARG A 185
HIS A 188
HIS A 190
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.9A)
DTD  A 301 (-3.5A)
DTD  A 301 (-4.5A)
DTD  A 301 ( 3.9A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
FE  A 300 (-3.3A)
 0.90A 3hgiA-3th1A:
29.5		 3hgiA-3th1A:
35.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		5 / 12 LEU A  48
VAL A  52
ILE A  73
ARG A 185
HIS A 188
 DTD  A 301 ( 4.8A)
None
DTD  A 301 (-4.9A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
 1.27A 3hgiA-3th1A:
29.5		 3hgiA-3th1A:
35.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		5 / 12 LEU A  48
VAL A  52
ILE A  73
TYR A 164
HIS A 188
 DTD  A 301 ( 4.8A)
None
DTD  A 301 (-4.9A)
DTD  A 301 ( 3.9A)
FE  A 300 (-3.5A)
 1.17A 3hgiA-3th1A:
29.5		 3hgiA-3th1A:
35.47
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.
3KO0_C_TFPC202_1
(PROTEIN S100-A4)		 3oqv ALBC
(Streptomyces
noursei) 		5 / 11 LEU A 212
SER A 213
PHE A 211
ILE A 208
ASP A 205
 None
None
None
DTD  A 248 ( 4.1A)
None
 1.23A 3ko0A-3oqvA:
undetectable
3ko0B-3oqvA:
undetectable
3ko0C-3oqvA:
undetectable
3ko0D-3oqvA:
undetectable		 3ko0A-3oqvA:
15.73
3ko0B-3oqvA:
15.73
3ko0C-3oqvA:
15.73
3ko0D-3oqvA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_D_TFPD202_1
(PROTEIN S100-A4)		 3oqv ALBC
(Streptomyces
noursei) 		5 / 11 ASP A 205
LEU A 212
SER A 213
PHE A 211
ILE A 208
 None
None
None
None
DTD  A 248 ( 4.1A)
 1.28A 3ko0C-3oqvA:
undetectable
3ko0D-3oqvA:
undetectable
3ko0E-3oqvA:
undetectable
3ko0F-3oqvA:
undetectable		 3ko0C-3oqvA:
15.73
3ko0D-3oqvA:
15.73
3ko0E-3oqvA:
15.73
3ko0F-3oqvA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_E_TFPE202_1
(PROTEIN S100-A4)		 3oqv ALBC
(Streptomyces
noursei) 		5 / 11 LEU A 212
SER A 213
PHE A 211
ILE A 208
ASP A 205
 None
None
None
DTD  A 248 ( 4.1A)
None
 1.22A 3ko0C-3oqvA:
undetectable
3ko0D-3oqvA:
undetectable
3ko0E-3oqvA:
undetectable
3ko0F-3oqvA:
undetectable		 3ko0C-3oqvA:
15.73
3ko0D-3oqvA:
15.73
3ko0E-3oqvA:
15.73
3ko0F-3oqvA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_F_TFPF202_1
(PROTEIN S100-A4)		 3oqv ALBC
(Streptomyces
noursei) 		5 / 11 ASP A 205
LEU A 212
SER A 213
PHE A 211
ILE A 208
 None
None
None
None
DTD  A 248 ( 4.1A)
 1.26A 3ko0E-3oqvA:
undetectable
3ko0F-3oqvA:
undetectable
3ko0G-3oqvA:
undetectable
3ko0H-3oqvA:
undetectable		 3ko0E-3oqvA:
15.73
3ko0F-3oqvA:
15.73
3ko0G-3oqvA:
15.73
3ko0H-3oqvA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_H_TFPH202_1
(PROTEIN S100-A4)		 3oqv ALBC
(Streptomyces
noursei) 		5 / 12 ASP A 205
LEU A 212
SER A 213
PHE A 211
ILE A 208
 None
None
None
None
DTD  A 248 ( 4.1A)
 1.29A 3ko0G-3oqvA:
undetectable
3ko0H-3oqvA:
undetectable
3ko0I-3oqvA:
undetectable
3ko0J-3oqvA:
undetectable		 3ko0G-3oqvA:
15.73
3ko0H-3oqvA:
15.73
3ko0I-3oqvA:
15.73
3ko0J-3oqvA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_I_TFPI202_1
(PROTEIN S100-A4)		 3oqv ALBC
(Streptomyces
noursei) 		5 / 12 LEU A 212
SER A 213
PHE A 211
ILE A 208
ASP A 205
 None
None
None
DTD  A 248 ( 4.1A)
None
 1.25A 3ko0G-3oqvA:
undetectable
3ko0H-3oqvA:
undetectable
3ko0I-3oqvA:
undetectable
3ko0J-3oqvA:
undetectable		 3ko0G-3oqvA:
15.73
3ko0H-3oqvA:
15.73
3ko0I-3oqvA:
15.73
3ko0J-3oqvA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_J_TFPJ202_1
(PROTEIN S100-A4)		 3oqv ALBC
(Streptomyces
noursei) 		5 / 11 ASP A 205
LEU A 212
SER A 213
PHE A 211
ILE A 208
 None
None
None
None
DTD  A 248 ( 4.1A)
 1.24A 3ko0A-3oqvA:
undetectable
3ko0B-3oqvA:
undetectable
3ko0I-3oqvA:
undetectable
3ko0J-3oqvA:
undetectable		 3ko0A-3oqvA:
15.73
3ko0B-3oqvA:
15.73
3ko0I-3oqvA:
15.73
3ko0J-3oqvA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_N_TFPN202_1
(PROTEIN S100-A4)		 3oqv ALBC
(Streptomyces
noursei) 		5 / 11 ASP A 205
LEU A 212
SER A 213
PHE A 211
ILE A 208
 None
None
None
None
DTD  A 248 ( 4.1A)
 1.22A 3ko0K-3oqvA:
undetectable
3ko0L-3oqvA:
undetectable
3ko0M-3oqvA:
undetectable
3ko0N-3oqvA:
undetectable		 3ko0K-3oqvA:
15.73
3ko0L-3oqvA:
15.73
3ko0M-3oqvA:
15.73
3ko0N-3oqvA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_O_TFPO202_1
(PROTEIN S100-A4)		 3oqv ALBC
(Streptomyces
noursei) 		5 / 11 LEU A 212
SER A 213
PHE A 211
ILE A 208
ASP A 205
 None
None
None
DTD  A 248 ( 4.1A)
None
 1.30A 3ko0O-3oqvA:
undetectable
3ko0P-3oqvA:
undetectable
3ko0Q-3oqvA:
undetectable
3ko0R-3oqvA:
0.0		 3ko0O-3oqvA:
15.73
3ko0P-3oqvA:
15.73
3ko0Q-3oqvA:
15.73
3ko0R-3oqvA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_P_TFPP202_1
(PROTEIN S100-A4)		 3oqv ALBC
(Streptomyces
noursei) 		5 / 12 ASP A 205
LEU A 212
SER A 213
PHE A 211
ILE A 208
 None
None
None
None
DTD  A 248 ( 4.1A)
 1.22A 3ko0M-3oqvA:
undetectable
3ko0N-3oqvA:
undetectable
3ko0O-3oqvA:
undetectable
3ko0P-3oqvA:
undetectable		 3ko0M-3oqvA:
15.73
3ko0N-3oqvA:
15.73
3ko0O-3oqvA:
15.73
3ko0P-3oqvA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_T_TFPT202_1
(PROTEIN S100-A4)		 3oqv ALBC
(Streptomyces
noursei) 		5 / 11 ASP A 205
LEU A 212
SER A 213
PHE A 211
ILE A 208
 None
None
None
None
DTD  A 248 ( 4.1A)
 1.25A 3ko0Q-3oqvA:
undetectable
3ko0R-3oqvA:
undetectable
3ko0S-3oqvA:
undetectable
3ko0T-3oqvA:
undetectable		 3ko0Q-3oqvA:
15.73
3ko0R-3oqvA:
15.73
3ko0S-3oqvA:
15.73
3ko0T-3oqvA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AC9_C_DXCC1479_0
(MJ0495-LIKE PROTEIN)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		4 / 5 THR A 183
ILE A 166
GLU A  45
PHE A  53
 None
DTD  A 301 ( 4.5A)
None
3PH  A 302 ( 4.9A)
 1.12A 4ac9C-3th1A:
undetectable		 4ac9C-3th1A:
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.
4ACA_C_DXCC1479_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		4 / 5 THR A 183
ILE A 166
GLU A  45
PHE A  53
 None
DTD  A 301 ( 4.5A)
None
3PH  A 302 ( 4.9A)
 1.14A 4acaC-3th1A:
undetectable		 4acaC-3th1A:
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.
4ACB_C_DXCC1479_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 3th1 CHLOROCATECHOL
1,2-DIOXYGENASE
(Pseudomonas
putida) 		4 / 5 THR A 183
ILE A 166
GLU A  45
PHE A  53
 None
DTD  A 301 ( 4.5A)
None
3PH  A 302 ( 4.9A)
 1.21A 4acbC-3th1A:
undetectable		 4acbC-3th1A:
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.
5J4N_B_AG2B501_1
(ARGININE/AGMATINE
ANTIPORTER)		 3mzb NICKEL-BINDING
PERIPLASMIC PROTEIN
(Escherichia
coli) 		4 / 6 ILE A 488
GLY A 219
ASN A 220
MET A 472
 None
DTD  A 522 (-3.4A)
DTD  A 522 (-3.0A)
None
 0.99A 5j4nB-3mzbA:
undetectable		 5j4nB-3mzbA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CZM_A_HISA402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 3oqv ALBC
(Streptomyces
noursei) 		5 / 10 LEU A 122
THR A  69
VAL A  67
ALA A 181
LEU A 185
 None
None
None
PO4  A 250 ( 3.7A)
DTD  A 248 ( 4.9A)
 1.03A 6czmA-3oqvA:
undetectable
6czmC-3oqvA:
undetectable		 6czmA-3oqvA:
22.07
6czmC-3oqvA:
22.07