SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4aq2'

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.
1MJ2_A_SAMA2201_1
(PROTEIN (METHIONINE
REPRESSOR))		 4aq2 HOMOGENTISATE
1,2-DIOXYGENASE
(Pseudomonas
putida) 		4 / 4 HIS A 265
ALA A  20
PHE A  19
GLY A 266
 None
 1.21A 1mj2B-4aq2A:
undetectable		 1mj2B-4aq2A:
14.67
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.
1MJ2_C_SAMC1200_1
(PROTEIN (METHIONINE
REPRESSOR))		 4aq2 HOMOGENTISATE
1,2-DIOXYGENASE
(Pseudomonas
putida) 		4 / 4 HIS A 265
ALA A  20
PHE A  19
GLY A 266
 None
 1.20A 1mj2D-4aq2A:
undetectable		 1mj2D-4aq2A:
14.67
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.
1MJO_A_SAMA199_1
(METHIONINE REPRESSOR)		 4aq2 HOMOGENTISATE
1,2-DIOXYGENASE
(Pseudomonas
putida) 		4 / 4 HIS A 265
ALA A  20
PHE A  19
GLY A 266
 None
 1.25A 1mjoB-4aq2A:
undetectable		 1mjoB-4aq2A:
14.67
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.
1MJO_D_SAMD200_1
(METHIONINE REPRESSOR)		 4aq2 HOMOGENTISATE
1,2-DIOXYGENASE
(Pseudomonas
putida) 		4 / 4 HIS A 265
ALA A  20
PHE A  19
GLY A 266
 None
 1.22A 1mjoD-4aq2A:
undetectable		 1mjoD-4aq2A:
14.67
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.
1Q23_B_FUAB703_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4aq2 HOMOGENTISATE
1,2-DIOXYGENASE
(Pseudomonas
putida) 		3 / 3 VAL A 262
ALA A 263
HIS A 265
 None
 0.66A 1q23C-4aq2A:
undetectable		 1q23C-4aq2A:
18.35
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.
1Q23_G_FUAG708_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4aq2 HOMOGENTISATE
1,2-DIOXYGENASE
(Pseudomonas
putida) 		3 / 3 VAL A 262
ALA A 263
HIS A 265
 None
 0.71A 1q23H-4aq2A:
undetectable		 1q23H-4aq2A:
18.35
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.
1Q23_I_FUAI707_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4aq2 HOMOGENTISATE
1,2-DIOXYGENASE
(Pseudomonas
putida) 		3 / 3 VAL A 262
ALA A 263
HIS A 265
 None
 0.66A 1q23G-4aq2A:
undetectable		 1q23G-4aq2A:
18.35
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.
1Q23_K_FUAK712_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4aq2 HOMOGENTISATE
1,2-DIOXYGENASE
(Pseudomonas
putida) 		3 / 3 VAL A 262
ALA A 263
HIS A 265
 None
 0.68A 1q23L-4aq2A:
undetectable		 1q23L-4aq2A:
18.35
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.
1Q23_L_FUAL710_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4aq2 HOMOGENTISATE
1,2-DIOXYGENASE
(Pseudomonas
putida) 		3 / 3 VAL A 262
ALA A 263
HIS A 265
 None
 0.70A 1q23J-4aq2A:
undetectable		 1q23J-4aq2A:
18.35
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.
1R15_F_NCAF369_0
(ADP-RIBOSYL CYCLASE)		 4aq2 HOMOGENTISATE
1,2-DIOXYGENASE
(Pseudomonas
putida) 		3 / 3 GLU A 200
ASN A 146
TRP A 114
 None
 1.21A 1r15F-4aq2A:
undetectable		 1r15F-4aq2A:
20.51
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.
1YC2_A_NCAA506_0
(NAD-DEPENDENT
DEACETYLASE 2)		 4aq2 HOMOGENTISATE
1,2-DIOXYGENASE
(Pseudomonas
putida) 		4 / 6 ALA A 118
SER A 404
PHE A 338
ILE A 133
 None
 0.88A 1yc2A-4aq2A:
undetectable		 1yc2A-4aq2A:
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.
2PCP_C_1PCC212_1
(IMMUNOGLOBULIN)		 4aq2 HOMOGENTISATE
1,2-DIOXYGENASE
(Pseudomonas
putida) 		5 / 10 HIS A 249
GLY A 247
HIS A 202
SER A 130
TRP A 114
 None
 1.17A 2pcpC-4aq2A:
undetectable
2pcpD-4aq2A:
undetectable		 2pcpC-4aq2A:
19.09
2pcpD-4aq2A:
18.24
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_TFPP201_1
(PROTEIN S100-A4)		 4aq2 HOMOGENTISATE
1,2-DIOXYGENASE
(Pseudomonas
putida) 		4 / 7 PHE A 278
GLY A 218
GLY A 282
PHE A 225
 None
 0.96A 3ko0M-4aq2A:
undetectable
3ko0P-4aq2A:
undetectable		 3ko0M-4aq2A:
12.24
3ko0P-4aq2A:
12.24
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.
3LM8_A_VIBA223_1
(THIAMINE
PYROPHOSPHOKINASE)		 4aq2 HOMOGENTISATE
1,2-DIOXYGENASE
(Pseudomonas
putida) 		4 / 7 LEU A 166
LEU A  64
SER A  48
ASN A 268
 None
 0.96A 3lm8A-4aq2A:
undetectable
3lm8C-4aq2A:
undetectable		 3lm8A-4aq2A:
16.17
3lm8C-4aq2A:
16.17
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.
3LM8_B_VIBB223_1
(THIAMINE
PYROPHOSPHOKINASE)		 4aq2 HOMOGENTISATE
1,2-DIOXYGENASE
(Pseudomonas
putida) 		4 / 7 LEU A 166
LEU A  64
SER A  48
ASN A 268
 None
 1.00A 3lm8B-4aq2A:
undetectable
3lm8D-4aq2A:
undetectable		 3lm8B-4aq2A:
16.17
3lm8D-4aq2A:
16.17
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		 4aq2 HOMOGENTISATE
1,2-DIOXYGENASE
(Pseudomonas
putida) 		5 / 12 GLN A 101
ALA A 358
LEU A 408
ILE A 342
GLY A 196
 None
 1.03A 3ozwB-4aq2A:
undetectable		 3ozwB-4aq2A:
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.
4HVR_A_SALA203_1
(3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE)		 4aq2 HOMOGENTISATE
1,2-DIOXYGENASE
(Pseudomonas
putida) 		4 / 7 HIS A 331
GLU A 337
HIS A 367
GLU A 396
 FE  A 800 (-3.3A)
FE  A 800 (-1.8A)
FE  A 800 (-3.4A)
None
 0.79A 4hvrA-4aq2A:
4.7		 4hvrA-4aq2A:
18.48
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.
4JSE_A_H4BA804_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4aq2 HOMOGENTISATE
1,2-DIOXYGENASE
(Pseudomonas
putida) 		4 / 7 ARG A 207
VAL A 269
PHE A  15
GLU A  18
 None
 1.16A 4jseA-4aq2A:
undetectable
4jseB-4aq2A:
undetectable		 4jseA-4aq2A:
21.41
4jseB-4aq2A:
21.41
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.
4JSE_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4aq2 HOMOGENTISATE
1,2-DIOXYGENASE
(Pseudomonas
putida) 		4 / 7 PHE A  15
GLU A  18
ARG A 207
VAL A 269
 None
 1.13A 4jseA-4aq2A:
undetectable
4jseB-4aq2A:
undetectable		 4jseA-4aq2A:
21.41
4jseB-4aq2A:
21.41
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.
5ESJ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4aq2 HOMOGENTISATE
1,2-DIOXYGENASE
(Pseudomonas
putida) 		4 / 8 ILE A 198
GLY A 113
LEU A 189
MET A 140
 None
 0.84A 5esjA-4aq2A:
undetectable		 5esjA-4aq2A:
23.42
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.
5PHH_A_LDPA414_1
(LYSINE-SPECIFIC
DEMETHYLASE 4D)		 4aq2 HOMOGENTISATE
1,2-DIOXYGENASE
(Pseudomonas
putida) 		4 / 6 GLU A 150
ARG A  60
ALA A 204
SER A 299
 None
 1.08A 5phhA-4aq2A:
3.1		 5phhA-4aq2A:
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.
6DWD_D_GLYD713_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 4aq2 HOMOGENTISATE
1,2-DIOXYGENASE
(Pseudomonas
putida) 		3 / 3 ARG A  81
HIS A 249
ARG A 142
 None
 0.93A 6dwdD-4aq2A:
undetectable		 6dwdD-4aq2A:
21.03