SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4rlq'

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.
1KYV_C_RBFC503_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 HIS A 333
SER A 404
GLU A 330
LEU A 375
ILE A 377
 3SK  A1000 ( 4.1A)
None
None
None
None
 1.24A 1kyvB-4rlqA:
3.7
1kyvC-4rlqA:
3.4		 1kyvB-4rlqA:
15.03
1kyvC-4rlqA:
15.03
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.
1X70_B_715B801_2
(DIPEPTIDYL PEPTIDASE
IV)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		3 / 3 PHE A 335
TYR A 408
TYR A 416
 None
 0.98A 1x70B-4rlqA:
undetectable		 1x70B-4rlqA:
21.28
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.
1YA4_B_CTXB1283_1
(CES1 PROTEIN)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		4 / 7 PRO A  77
GLY A 229
LEU A 246
PRO A 237
 None
 0.81A 1ya4B-4rlqA:
undetectable		 1ya4B-4rlqA:
22.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V7B_A_BEZA1529_0
(BENZOATE-COENZYME A
LIGASE)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		7 / 9 ALA A 227
TYR A 228
ALA A 302
GLY A 303
GLY A 327
HIS A 333
ILE A 334
 3SK  A1000 (-3.6A)
3SK  A1000 (-4.8A)
3SK  A1000 ( 3.8A)
3SK  A1000 (-3.3A)
3SK  A1000 (-3.6A)
3SK  A1000 ( 4.1A)
None
 0.31A 2v7bA-4rlqA:
62.0		 2v7bA-4rlqA:
61.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V7B_B_BEZB1529_0
(BENZOATE-COENZYME A
LIGASE)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		7 / 9 ALA A 227
TYR A 228
ALA A 302
GLY A 303
GLY A 327
HIS A 333
ILE A 334
 3SK  A1000 (-3.6A)
3SK  A1000 (-4.8A)
3SK  A1000 ( 3.8A)
3SK  A1000 (-3.3A)
3SK  A1000 (-3.6A)
3SK  A1000 ( 4.1A)
None
 0.32A 2v7bB-4rlqA:
62.0		 2v7bB-4rlqA:
61.52
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.
2W1B_A_DXCA2034_0
(ACRIFLAVIN
RESISTANCE PROTEIN B)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		3 / 3 PHE A 397
SER A 328
LEU A 332
 None
 0.73A 2w1bA-4rlqA:
3.8		 2w1bA-4rlqA:
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.
2X91_A_LPRA1615_2
(ANGIOTENSIN
CONVERTING ENZYME)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		3 / 3 SER A 382
THR A 201
PHE A  80
 GOL  A1002 (-4.6A)
None
None
 0.77A 2x91A-4rlqA:
undetectable		 2x91A-4rlqA:
21.23
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.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		3 / 3 ASP A 254
PHE A 257
LEU A 261
 None
 0.48A 2zi9A-4rlqA:
undetectable		 2zi9A-4rlqA:
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.
3ARR_A_PNXA607_1
(CHITINASE A)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		4 / 7 VAL A 352
SER A 337
THR A 209
LEU A 210
 None
 1.17A 3arrA-4rlqA:
undetectable		 3arrA-4rlqA:
23.74
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.
3ELZ_A_CHDA150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 ASN A 232
VAL A 271
LEU A 332
ILE A 334
THR A 201
 None
 1.34A 3elzA-4rlqA:
undetectable		 3elzA-4rlqA:
13.06
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.
3ELZ_C_CHDC150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 ASN A 232
VAL A 271
LEU A 332
ILE A 334
THR A 201
 None
 1.35A 3elzC-4rlqA:
undetectable		 3elzC-4rlqA:
13.06
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.
3FL9_E_TOPE200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		5 / 10 ALA A  83
LEU A  51
LEU A 115
VAL A  66
ILE A  58
 None
 1.13A 3fl9E-4rlqA:
2.1		 3fl9E-4rlqA:
15.41
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.
3MDR_B_GJZB506_1
(CHOLESTEROL
24-HYDROXYLASE)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		4 / 6 PHE A 157
ILE A  58
ALA A  57
ALA A  86
 None
 0.96A 3mdrB-4rlqA:
undetectable		 3mdrB-4rlqA:
20.58
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.
3T3R_A_9PLA501_1
(CYTOCHROME P450 2A6)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		5 / 11 PHE A  80
GLY A 231
THR A 201
LEU A 179
PHE A 177
 None
 1.08A 3t3rA-4rlqA:
undetectable		 3t3rA-4rlqA:
21.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EAT_A_BEZA1000_0
(BENZOATE-COENZYME A
LIGASE)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		7 / 7 ALA A 227
TYR A 228
ALA A 302
GLY A 303
ILE A 326
GLY A 327
ILE A 334
 3SK  A1000 (-3.6A)
3SK  A1000 (-4.8A)
3SK  A1000 ( 3.8A)
3SK  A1000 (-3.3A)
3SK  A1000 (-4.4A)
3SK  A1000 (-3.6A)
None
 0.10A 4eatA-4rlqA:
73.0		 4eatA-4rlqA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EAT_B_BEZB1000_0
(BENZOATE-COENZYME A
LIGASE)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		8 / 9 ALA A 227
TYR A 228
ALA A 302
GLY A 303
ILE A 326
GLY A 327
HIS A 333
ILE A 334
 3SK  A1000 (-3.6A)
3SK  A1000 (-4.8A)
3SK  A1000 ( 3.8A)
3SK  A1000 (-3.3A)
3SK  A1000 (-4.4A)
3SK  A1000 (-3.6A)
3SK  A1000 ( 4.1A)
None
 0.16A 4eatB-4rlqA:
71.5		 4eatB-4rlqA:
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.
4EJJ_D_NCTD501_1
(CYTOCHROME P450 2A6)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		4 / 7 PHE A  80
GLY A 231
LEU A 179
PHE A 177
 None
 0.90A 4ejjD-4rlqA:
undetectable		 4ejjD-4rlqA:
21.67
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.
4K50_E_ACTE504_0
(RNA POLYMERASE
3D-POL)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		3 / 3 VAL A 264
GLY A 266
LYS A 268
 None
 0.70A 4k50E-4rlqA:
undetectable		 4k50E-4rlqA:
21.49
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.
4K50_I_ACTI504_0
(RNA POLYMERASE
3D-POL)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		3 / 3 VAL A 264
GLY A 266
LYS A 268
 None
 0.65A 4k50I-4rlqA:
undetectable		 4k50I-4rlqA:
21.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZJZ_A_BEZA1001_0
(BENZOATE-COENZYME A
LIGASE)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		8 / 8 ALA A 221
PRO A 251
VAL A 256
PHE A 272
GLY A 274
ALA A 275
GLY A 278
MET A 282
 None
 0.09A 4zjzA-4rlqA:
72.7		 4zjzA-4rlqA:
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.
5D75_A_FK5A301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP3)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		5 / 11 LEU A 210
VAL A 323
ILE A 322
TYR A 279
ALA A 221
 None
GOL  A1001 (-4.9A)
None
None
None
 1.09A 5d75A-4rlqA:
undetectable		 5d75A-4rlqA:
11.85
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.
5GPG_A_RAPA301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP3)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		5 / 11 LEU A 210
VAL A 323
ILE A 322
TYR A 279
ALA A 221
 None
GOL  A1001 (-4.9A)
None
None
None
 0.98A 5gpgA-4rlqA:
undetectable		 5gpgA-4rlqA:
12.22
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.
5LJE_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 LEU A 442
ALA A 467
PRO A 465
TYR A 495
ILE A 486
 None
 1.07A 5ljeA-4rlqA:
undetectable		 5ljeA-4rlqA:
16.18
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.
5ZJI_A_PQNA844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		5 / 10 PHE A 154
GLY A 159
ILE A  58
ALA A  54
LEU A  51
 None
 1.27A 5zjiA-4rlqA:
undetectable
5zjiJ-4rlqA:
undetectable		 5zjiA-4rlqA:
11.27
5zjiJ-4rlqA:
6.67
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.
6BC9_A_ETSA302_2
(CARBONIC ANHYDRASE 2)		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		4 / 5 GLU A 148
HIS A 121
LEU A  69
VAL A 116
 None
 1.09A 6bc9A-4rlqA:
undetectable		 6bc9A-4rlqA:
10.14
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		 4rlq BENZOATE-COENZYME A
LIGASE
(Rhodopseudomonas
palustris) 		4 / 7 SER A 337
HIS A 333
GLY A 327
LEU A 210
 None
3SK  A1000 ( 4.1A)
3SK  A1000 (-3.6A)
None
 1.14A 6btxA-4rlqA:
undetectable		 6btxA-4rlqA:
24.48