SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4l39'

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.
1DJR_F_BEZF1305_0
(HEAT-LABILE
ENTEROTOXIN)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		4 / 4 TYR A 178
ARG A 173
ASN A 176
TRP A 177
 None
 1.47A 1djrF-4l39A:
0.1		 1djrF-4l39A:
10.23
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.
1H1D_A_SAMA301_0
(CATECHOL-O-METHYLTRA
NSFERASE)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		5 / 12 VAL A 345
GLY A 404
TYR A 347
ASN A 407
TYR A 406
 None
None
APC  A 603 (-4.4A)
None
None
 1.37A 1h1dA-4l39A:
2.6		 1h1dA-4l39A:
17.20
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.
1P2Y_A_NCTA440_1
(CYTOCHROME P450-CAM)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		4 / 7 LEU A 155
GLY A  78
ILE A  84
VAL A  83
 None
 0.82A 1p2yA-4l39A:
undetectable		 1p2yA-4l39A:
20.96
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.
1WRL_A_TFPA202_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		5 / 9 MET A 106
LEU A  93
MET A 394
SER A 354
ALA A 160
 None
 1.45A 1wrlA-4l39A:
0.5
1wrlB-4l39A:
undetectable		 1wrlA-4l39A:
10.55
1wrlB-4l39A:
10.55
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.
1WRL_E_TFPE210_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		5 / 9 MET A 106
LEU A  93
MET A 394
SER A 354
ALA A 160
 None
 1.44A 1wrlE-4l39A:
0.8
1wrlF-4l39A:
undetectable		 1wrlE-4l39A:
10.55
1wrlF-4l39A:
10.55
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.
2CL5_A_SAMA1217_0
(CATECHOL
O-METHYLTRANSFERASE)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		5 / 12 VAL A 345
GLY A 404
TYR A 347
ASN A 407
TYR A 406
 None
None
APC  A 603 (-4.4A)
None
None
 1.44A 2cl5A-4l39A:
0.9		 2cl5A-4l39A:
17.20
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.
2XZ5_C_ACHC1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		4 / 8 ILE A 296
VAL A 308
TYR A 314
CYH A 315
 None
 1.22A 2xz5A-4l39A:
undetectable
2xz5C-4l39A:
undetectable		 2xz5A-4l39A:
18.75
2xz5C-4l39A:
18.75
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.
2XZ5_D_ACHD1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		4 / 8 ILE A 296
VAL A 308
TYR A 314
CYH A 315
 None
 1.26A 2xz5C-4l39A:
undetectable
2xz5D-4l39A:
undetectable		 2xz5C-4l39A:
18.75
2xz5D-4l39A:
18.75
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.
2Y7W_A_SALA1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		5 / 9 THR A 324
ILE A 119
GLY A 333
GLY A 326
PHE A 356
 SAL  A 602 ( 3.7A)
None
None
SAL  A 602 ( 3.6A)
None
 1.46A 2y7wA-4l39A:
undetectable		 2y7wA-4l39A:
16.44
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.
3A3Y_A_OBNA6000_1
(NA, K-ATPASE ALPHA
SUBUNIT)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		5 / 10 GLU A 329
PHE A 332
GLY A 333
PHE A 349
LEU A 372
 MG  A 601 (-3.7A)
None
None
None
None
 1.35A 3a3yA-4l39A:
undetectable		 3a3yA-4l39A:
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.
3AQI_B_CHDB5_0
(FERROCHELATASE)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		3 / 3 PRO A 107
LEU A  72
ARG A  74
 None
 0.83A 3aqiB-4l39A:
undetectable		 3aqiB-4l39A:
22.09
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.
3DGQ_A_EAAA211_1
(GLUTATHIONE
S-TRANSFERASE P)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		4 / 5 TYR A 120
ILE A 188
TYR A 181
THR A 182
 SAL  A 602 (-4.3A)
None
None
None
 1.48A 3dgqA-4l39A:
undetectable		 3dgqA-4l39A:
16.75
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.
3ELZ_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		5 / 10 ILE A 273
ILE A 276
GLY A 284
VAL A 211
LEU A 229
 None
 1.28A 3elzB-4l39A:
undetectable		 3elzB-4l39A:
13.54
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		4 / 8 PHE A 332
ASP A 398
TYR A 325
LEU A 391
 None
APC  A 603 (-2.6A)
None
None
 1.09A 3jq7B-4l39A:
undetectable		 3jq7B-4l39A:
18.26
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.
3JUS_A_ECLA600_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		4 / 8 LEU A 143
GLY A 204
THR A 293
ILE A 296
 None
 0.63A 3jusA-4l39A:
undetectable		 3jusA-4l39A:
20.47
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.
3JUS_A_ECNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		4 / 8 LEU A 143
GLY A 204
THR A 293
ILE A 296
 None
 0.63A 3jusA-4l39A:
undetectable		 3jusA-4l39A:
20.47
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		3 / 3 ALA A  86
ARG A  87
LYS A 111
 None
 0.79A 3kp3B-4l39A:
undetectable		 3kp3B-4l39A:
13.96
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.
4A9K_B_TYLB2198_1
(CREB-BINDING PROTEIN)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		4 / 5 VAL A 286
LEU A 318
ILE A 296
VAL A 211
 None
 0.98A 4a9kB-4l39A:
undetectable		 4a9kB-4l39A:
13.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EQ4_A_SALA601_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		7 / 7 LEU A 116
TYR A 120
ARG A 123
THR A 161
ILE A 217
THR A 324
GLY A 326
 SAL  A 602 (-4.7A)
SAL  A 602 (-4.3A)
SAL  A 602 (-3.1A)
None
SAL  A 602 ( 4.4A)
SAL  A 602 ( 3.7A)
SAL  A 602 ( 3.6A)
 0.35A 4eq4A-4l39A:
63.1		 4eq4A-4l39A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EQ4_B_SALB601_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		8 / 8 LEU A 116
TYR A 120
ARG A 123
THR A 161
ILE A 217
VAL A 299
THR A 324
GLY A 326
 SAL  A 602 (-4.7A)
SAL  A 602 (-4.3A)
SAL  A 602 (-3.1A)
None
SAL  A 602 ( 4.4A)
APC  A 603 (-4.2A)
SAL  A 602 ( 3.7A)
SAL  A 602 ( 3.6A)
 0.33A 4eq4B-4l39A:
63.2		 4eq4B-4l39A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EQL_A_SALA602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		7 / 7 LEU A 116
TYR A 120
ARG A 123
THR A 161
ILE A 217
THR A 324
GLY A 326
 SAL  A 602 (-4.7A)
SAL  A 602 (-4.3A)
SAL  A 602 (-3.1A)
None
SAL  A 602 ( 4.4A)
SAL  A 602 ( 3.7A)
SAL  A 602 ( 3.6A)
 0.27A 4eqlA-4l39A:
53.3		 4eqlA-4l39A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EQL_B_SALB602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		7 / 7 LEU A 116
TYR A 120
ARG A 123
THR A 161
ILE A 217
THR A 324
GLY A 326
 SAL  A 602 (-4.7A)
SAL  A 602 (-4.3A)
SAL  A 602 (-3.1A)
None
SAL  A 602 ( 4.4A)
SAL  A 602 ( 3.7A)
SAL  A 602 ( 3.6A)
 0.26A 4eqlB-4l39A:
54.9		 4eqlB-4l39A:
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.
4RKU_A_PQNA5001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		4 / 8 MET A 140
PHE A 142
SER A 183
LEU A 197
 None
 0.77A 4rkuA-4l39A:
undetectable
4rkuJ-4l39A:
undetectable		 4rkuA-4l39A:
22.19
4rkuJ-4l39A:
7.95
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.
4WNW_A_RTZA602_1
(CYTOCHROME P450 2D6)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		5 / 12 PHE A 144
LEU A 143
GLY A 204
LEU A 201
VAL A 221
 None
 1.16A 4wnwA-4l39A:
undetectable		 4wnwA-4l39A:
23.28
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.
4XK8_A_PQNA844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		4 / 7 MET A 140
PHE A 142
SER A 183
LEU A 197
 None
 0.79A 4xk8A-4l39A:
undetectable		 4xk8A-4l39A:
20.60
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.
4XYZ_A_ACTA103_0
(POLYUBIQUITIN-C)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		4 / 4 LEU A 339
ILE A 127
HIS A 130
VAL A 131
 None
 1.21A 4xyzA-4l39A:
undetectable		 4xyzA-4l39A:
10.52
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.
5FHR_B_SAMB303_0
(CATECHOL
O-METHYLTRANSFERASE)		 4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12
(Arabidopsis
thaliana) 		5 / 12 VAL A 345
GLY A 404
TYR A 347
ASN A 407
TYR A 406
 None
None
APC  A 603 (-4.4A)
None
None
 1.44A 5fhrB-4l39A:
2.3		 5fhrB-4l39A:
17.00