SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3u4j'

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.
1C8L_A_CFFA940_1
(PROTEIN (GLYCOGEN
PHOSPHORYLASE))
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 6 ASN A 297
HIS A 349
ALA A 298
GLY A 342
None
1.08A 1c8lA-3u4jA:
4.8
1c8lA-3u4jA:
19.76
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.
1EQU_A_EQIA329_0
(PROTEIN (ESTRADIOL
17
BETA-DEHYDROGENASE
1))
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
5 / 10 SER A 304
VAL A 294
LEU A 406
GLY A 299
PRO A 404
None
1.49A 1equA-3u4jA:
4.9
1equA-3u4jA:
22.63
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.
1GFZ_A_CFFA940_1
(GLYCOGEN
PHOSPHORYLASE)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 6 ASN A 297
HIS A 349
ALA A 298
GLY A 342
None
1.08A 1gfzA-3u4jA:
3.4
1gfzA-3u4jA:
20.07
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.
1L5Q_A_CFFA863_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 6 ASN A 297
HIS A 349
ALA A 298
GLY A 342
None
1.10A 1l5qA-3u4jA:
3.9
1l5qA-3u4jA:
21.26
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.
1L5Q_B_CFFB1863_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 6 ASN A 297
HIS A 349
ALA A 298
GLY A 342
None
1.10A 1l5qB-3u4jA:
4.5
1l5qB-3u4jA:
21.26
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.
1L7X_A_CFFA863_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 6 ASN A 297
HIS A 349
ALA A 298
GLY A 342
None
1.14A 1l7xA-3u4jA:
5.4
1l7xA-3u4jA:
21.26
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.
1L7X_B_CFFB1863_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 6 ASN A 297
HIS A 349
ALA A 298
GLY A 342
None
1.12A 1l7xB-3u4jA:
4.1
1l7xB-3u4jA:
21.26
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.
1LQT_B_ACTB1874_0
(FPRA)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 5 TRP A 129
ALA A 176
PHE A 173
SER A 202
None
1.11A 1lqtB-3u4jA:
2.1
1lqtB-3u4jA:
22.54
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.
1LQU_B_ACTB1431_0
(FPRA)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 5 TRP A 129
ALA A 176
PHE A 173
SER A 202
None
1.10A 1lquB-3u4jA:
2.2
1lquB-3u4jA:
22.54
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.
1OSV_B_CHCB201_1
(BILE ACID RECEPTOR)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
5 / 12 LEU A 318
SER A 326
ILE A 325
ILE A 290
TYR A 295
None
1.16A 1osvB-3u4jA:
undetectable
1osvB-3u4jA:
19.73
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.
1PXX_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
5 / 10 VAL A 191
LEU A 254
VAL A 232
GLY A 230
ALA A 229
None
1.13A 1pxxA-3u4jA:
undetectable
1pxxA-3u4jA:
21.84
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.
1PXX_B_DIFB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
5 / 9 VAL A 191
LEU A 254
VAL A 232
GLY A 230
ALA A 229
None
1.13A 1pxxB-3u4jA:
undetectable
1pxxB-3u4jA:
21.84
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.
1PXX_D_DIFD3701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
5 / 10 VAL A 191
LEU A 254
VAL A 232
GLY A 230
ALA A 229
None
1.13A 1pxxD-3u4jA:
undetectable
1pxxD-3u4jA:
21.84
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_D_FUAD705_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
5 / 12 THR A 339
TYR A 381
PHE A   5
ALA A 378
HIS A  45
None
1.34A 1q23D-3u4jA:
undetectable
1q23E-3u4jA:
undetectable
1q23D-3u4jA:
14.96
1q23E-3u4jA:
14.96
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.
2GLU_A_SAMA301_0
(YCGJ)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
5 / 12 GLY A 120
GLY A 123
ALA A 104
ALA A 116
GLU A 337
None
0.96A 2gluA-3u4jA:
5.6
2gluA-3u4jA:
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.
2W98_B_P1ZB1359_1
(PROSTAGLANDIN
REDUCTASE 2)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 6 THR A 198
GLU A 107
PHE A 171
ILE A 175
None
1.30A 2w98B-3u4jA:
5.4
2w98B-3u4jA:
21.55
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.
2ZM8_A_ACAA511_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 8 ALA A 365
ILE A 361
ILE A 396
HIS A 354
None
0.81A 2zm8A-3u4jA:
undetectable
2zm8A-3u4jA:
22.97
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.
2ZM9_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
5 / 9 ALA A 365
ILE A 361
GLY A 360
ILE A 396
HIS A 354
None
0.92A 2zm9A-3u4jA:
undetectable
2zm9A-3u4jA:
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.
2ZMA_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 8 ALA A 365
ILE A 361
ILE A 396
HIS A 354
None
0.81A 2zmaA-3u4jA:
undetectable
2zmaA-3u4jA:
22.70
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.
3CLB_B_TMQB612_1
(DHFR-TS)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
5 / 12 ALA A 281
ASP A 280
PHE A 278
ILE A 444
ILE A 276
None
1.22A 3clbB-3u4jA:
undetectable
3clbB-3u4jA:
22.93
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.
3DD1_A_CFFA903_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 6 ASN A 297
HIS A 349
ALA A 298
GLY A 342
None
1.10A 3dd1A-3u4jA:
4.9
3dd1A-3u4jA:
21.12
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.
3DD1_B_CFFB903_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 6 ASN A 297
HIS A 349
ALA A 298
GLY A 342
None
1.10A 3dd1B-3u4jA:
4.3
3dd1B-3u4jA:
21.12
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.
3DDS_A_CFFA904_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 6 ASN A 297
HIS A 349
ALA A 298
GLY A 342
None
1.09A 3ddsA-3u4jA:
undetectable
3ddsA-3u4jA:
21.12
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.
3DDS_B_CFFB903_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 6 ASN A 297
HIS A 349
ALA A 298
GLY A 342
None
1.10A 3ddsB-3u4jA:
3.2
3ddsB-3u4jA:
21.12
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.
3DDW_A_CFFA903_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 6 ASN A 297
HIS A 349
ALA A 298
GLY A 342
None
1.09A 3ddwA-3u4jA:
undetectable
3ddwA-3u4jA:
21.12
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.
3DDW_B_CFFB903_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 6 ASN A 297
HIS A 349
ALA A 298
GLY A 342
None
1.10A 3ddwB-3u4jA:
4.6
3ddwB-3u4jA:
21.12
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.
3FGR_B_ACTB21_0
(PUTATIVE
PHOSPHOLIPASE B-LIKE
2 40 KDA FORM)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 4 ARG A  14
ASP A   9
ASP A  12
PRO A  13
None
1.23A 3fgrB-3u4jA:
undetectable
3fgrB-3u4jA:
21.95
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.
3SUE_B_SUEB1201_2
(NS3 PROTEASE, NS4A
PROTEIN)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
3 / 3 PHE A  90
TYR A 131
LEU A 208
None
0.66A 3sueB-3u4jA:
undetectable
3sueB-3u4jA:
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.
4A3U_B_ACTB1358_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 7 ILE A 401
GLY A 299
VAL A 294
SER A 306
None
1.00A 4a3uB-3u4jA:
2.2
4a3uB-3u4jA:
23.05
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_DXCC1478_0
(MJ0495-LIKE PROTEIN)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 7 SER A 199
GLY A  51
THR A  52
SER A 195
None
0.96A 4ac9C-3u4jA:
4.7
4ac9C-3u4jA:
23.34
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.
4AZW_A_SAMA1451_0
(WBDD)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
5 / 12 GLY A 403
ALA A 298
ASN A 297
ILE A 401
VAL A 353
None
1.16A 4azwA-3u4jA:
5.6
4azwA-3u4jA:
23.73
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.
4DXU_A_ACAA711_1
(LACTOTRANSFERRIN)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 6 GLY A 403
VAL A 353
GLY A 370
GLU A 372
None
0.83A 4dxuA-3u4jA:
undetectable
4dxuA-3u4jA:
21.70
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.
4L39_A_SALA602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 6 LEU A 128
ARG A 179
ILE A 466
GLY A 479
None
0.96A 4l39A-3u4jA:
undetectable
4l39A-3u4jA:
22.48
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.
4X1K_B_LOCB502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
5 / 12 VAL A  25
LEU A 233
LEU A 192
ASN A 220
ALA A 229
None
1.23A 4x1kA-3u4jA:
undetectable
4x1kB-3u4jA:
undetectable
4x1kA-3u4jA:
21.74
4x1kB-3u4jA:
20.33
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.
4XZK_A_AG2A700_1
(PUTATIVE
NAD(+)--ARGININE
ADP-RIBOSYLTRANSFERA
SE VIS)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 7 ARG A 307
SER A 306
PHE A 426
GLU A 400
None
1.37A 4xzkA-3u4jA:
2.2
4xzkA-3u4jA:
17.86
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.
5E5J_A_017A201_2
(PROTEASE)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
6 / 12 GLY A 266
ALA A 243
ILE A 166
GLY A 251
PRO A 168
ILE A 175
None
1.34A 5e5jB-3u4jA:
undetectable
5e5jB-3u4jA:
10.08
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
5 / 12 VAL A 191
LEU A 254
VAL A 232
GLY A 230
ALA A 229
None
1.13A 5ikqB-3u4jA:
undetectable
5ikqB-3u4jA:
20.85
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
5 / 12 VAL A 191
LEU A 254
VAL A 232
GLY A 230
ALA A 229
None
1.15A 5iktB-3u4jA:
undetectable
5iktB-3u4jA:
20.85
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.
5J7W_C_MTXC402_1
(THYMIDYLATE SYNTHASE)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
5 / 12 ILE A 466
TRP A 453
LEU A 428
GLY A 468
ILE A 303
None
1.20A 5j7wC-3u4jA:
undetectable
5j7wC-3u4jA:
20.19
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.
5NN8_A_ACRA1016_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
4 / 5 GLY A  75
PRO A  78
TRP A  77
CYH A 188
None
1.32A 5nn8A-3u4jA:
undetectable
5nn8A-3u4jA:
20.77
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.
5YF0_A_SAMA505_0
(CARNOSINE
N-METHYLTRANSFERASE)
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti)
5 / 12 GLY A 305
GLY A 273
CYH A 301
PHE A 402
TYR A 295
None
1.49A 5yf0A-3u4jA:
4.4
5yf0A-3u4jA:
19.41