SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3i4y'

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.
1EE2_A_CHDA1150_0
(ALCOHOL
DEHYDROGENASE)		 3i4y CATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		5 / 11 LEU A 259
LEU A 120
LEU A 223
VAL A 271
ILE A 188
 None
 1.01A 1ee2A-3i4yA:
undetectable		 1ee2A-3i4yA:
24.51
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.
1EE2_B_CHDB1250_1
(ALCOHOL
DEHYDROGENASE)		 3i4y CATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		5 / 11 LEU A 259
LEU A 120
LEU A 223
VAL A 271
ILE A 188
 None
 1.04A 1ee2B-3i4yA:
undetectable		 1ee2B-3i4yA:
24.51
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.
1QZZ_A_SAMA635_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		 3i4y CATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		5 / 12 TRP A  65
GLY A  72
GLY A  73
GLU A  74
ASP A 201
 None
 1.14A 1qzzA-3i4yA:
undetectable		 1qzzA-3i4yA:
21.01
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)		 3i4y CATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		9 / 11 LEU A  77
ASP A  80
ILE A 102
GLY A 104
PRO A 105
TYR A 162
ARG A 217
HIS A 220
HIS A 222
 35C  A   1 (-3.7A)
None
35C  A   1 (-4.7A)
35C  A   1 (-3.0A)
35C  A   1 (-4.7A)
35C  A   1 ( 4.2A)
35C  A   1 (-3.9A)
FE  A 281 ( 3.4A)
FE  A 281 ( 3.3A)
 0.39A 1s9aA-3i4yA:
30.6		 1s9aA-3i4yA:
39.86
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)		 3i4y CATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		10 / 12 LEU A  77
ASP A  80
ILE A 102
GLY A 104
PRO A 105
TYR A 162
ARG A 217
HIS A 220
HIS A 222
GLN A 236
 35C  A   1 (-3.7A)
None
35C  A   1 (-4.7A)
35C  A   1 (-3.0A)
35C  A   1 (-4.7A)
35C  A   1 ( 4.2A)
35C  A   1 (-3.9A)
FE  A 281 ( 3.4A)
FE  A 281 ( 3.3A)
35C  A   1 ( 4.0A)
 0.34A 1s9aB-3i4yA:
31.0		 1s9aB-3i4yA:
39.86
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)		 3i4y CATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		6 / 11 GLY A 104
PRO A 105
TYR A 162
ARG A 217
HIS A 220
HIS A 222
 35C  A   1 (-3.0A)
35C  A   1 (-4.7A)
35C  A   1 ( 4.2A)
35C  A   1 (-3.9A)
FE  A 281 ( 3.4A)
FE  A 281 ( 3.3A)
 0.41A 1tmxA-3i4yA:
27.3		 1tmxA-3i4yA:
29.57
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.
1TMX_A_BEZA881_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 3i4y CATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		5 / 11 LEU A  77
GLY A 104
ARG A 217
HIS A 220
HIS A 222
 35C  A   1 (-3.7A)
35C  A   1 (-3.0A)
35C  A   1 (-3.9A)
FE  A 281 ( 3.4A)
FE  A 281 ( 3.3A)
 0.98A 1tmxA-3i4yA:
27.3		 1tmxA-3i4yA:
29.57
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.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 3i4y CATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		6 / 12 GLY A 104
PRO A 105
TYR A 162
ARG A 217
HIS A 220
HIS A 222
 35C  A   1 (-3.0A)
35C  A   1 (-4.7A)
35C  A   1 ( 4.2A)
35C  A   1 (-3.9A)
FE  A 281 ( 3.4A)
FE  A 281 ( 3.3A)
 0.28A 1tmxB-3i4yA:
27.2		 1tmxB-3i4yA:
29.57
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.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 3i4y CATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		5 / 12 LEU A  77
GLY A 104
ARG A 217
HIS A 220
HIS A 222
 35C  A   1 (-3.7A)
35C  A   1 (-3.0A)
35C  A   1 (-3.9A)
FE  A 281 ( 3.4A)
FE  A 281 ( 3.3A)
 0.99A 1tmxB-3i4yA:
27.2		 1tmxB-3i4yA:
29.57
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.
3B0W_A_DGXA1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		 3i4y CATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		3 / 3 TRP A 154
VAL A 138
ARG A 185
 None
 0.91A 3b0wA-3i4yA:
undetectable		 3b0wA-3i4yA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DXY_A_SAMA1_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		 3i4y CATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		6 / 11 GLU A 103
GLY A 104
ILE A 102
VAL A  81
ASP A 248
ALA A 252
 None
35C  A   1 (-3.0A)
35C  A   1 (-4.7A)
35C  A   1 (-4.7A)
None
None
 1.32A 3dxyA-3i4yA:
undetectable		 3dxyA-3i4yA:
22.73
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)		 3i4y CATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		5 / 12 ASP A  80
VAL A  81
GLY A 104
TYR A 162
TYR A 196
 None
35C  A   1 (-4.7A)
35C  A   1 (-3.0A)
35C  A   1 ( 4.2A)
35C  A   1 (-3.6A)
 1.27A 3hgiA-3i4yA:
36.8		 3hgiA-3i4yA:
100.00
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)		 3i4y CATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		11 / 12 LEU A  77
ASP A  80
VAL A  81
ILE A 102
GLY A 104
PRO A 105
TYR A 106
TYR A 162
ARG A 217
HIS A 220
HIS A 222
 35C  A   1 (-3.7A)
None
35C  A   1 (-4.7A)
35C  A   1 (-4.7A)
35C  A   1 (-3.0A)
35C  A   1 (-4.7A)
35C  A   1 (-4.3A)
35C  A   1 ( 4.2A)
35C  A   1 (-3.9A)
FE  A 281 ( 3.4A)
FE  A 281 ( 3.3A)
 0.33A 3hgiA-3i4yA:
36.8		 3hgiA-3i4yA:
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.
4JTR_A_IBPA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 3i4y CATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		4 / 8 VAL A 151
TYR A 186
LEU A 259
LEU A 237
 None
 1.05A 4jtrA-3i4yA:
undetectable		 4jtrA-3i4yA:
21.60
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.
4MWX_A_ZMRA513_2
(NEURAMINIDASE)		 3i4y CATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		3 / 3 ARG A 175
TRP A 172
ILE A 108
 None
 1.12A 4mwxA-3i4yA:
undetectable		 4mwxA-3i4yA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JLC_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3i4y CATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		4 / 5 GLY A 176
THR A 177
GLY A 241
LEU A 132
 None
 0.83A 5jlcA-3i4yA:
undetectable		 5jlcA-3i4yA:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UBB_A_SAMA301_0
(ALPHA N-TERMINAL
PROTEIN
METHYLTRANSFERASE 1B)		 3i4y CATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		5 / 12 TYR A 162
LEU A 153
GLN A 192
HIS A 222
LEU A 223
 35C  A   1 ( 4.2A)
None
None
FE  A 281 ( 3.3A)
None
 1.12A 5ubbA-3i4yA:
undetectable		 5ubbA-3i4yA:
20.49
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.
6AG0_A_ACRA608_0
(ALPHA-AMYLASE)		 3i4y CATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		4 / 6 GLY A 100
THR A 235
GLN A 236
TYR A 238
 None
None
35C  A   1 ( 4.0A)
None
 1.16A 6ag0A-3i4yA:
undetectable		 6ag0A-3i4yA:
15.77
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.
6AG0_C_ACRC606_0
(ALPHA-AMYLASE)		 3i4y CATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		4 / 6 GLY A 100
THR A 235
GLN A 236
TYR A 238
 None
None
35C  A   1 ( 4.0A)
None
 1.15A 6ag0C-3i4yA:
undetectable		 6ag0C-3i4yA:
15.77
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.
6DJZ_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 3i4y CATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		4 / 6 TRP A 154
LEU A  91
ASP A  80
GLU A  84
 None
 1.31A 6djzC-3i4yA:
undetectable		 6djzC-3i4yA:
25.68