SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2xdf'

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.
1SG9_B_SAMB302_1
(HEMK PROTEIN)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		3 / 3 ASP A 490
PHE A 449
ASN A 483
 None
 0.80A 1sg9B-2xdfA:
undetectable		 1sg9B-2xdfA:
21.05
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.
1YA3_A_STRA1001_2
(MINERALOCORTICOID
RECEPTOR)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		4 / 4 LEU A 505
LEU A 484
SER A 480
LEU A 461
 None
 1.10A 1ya3A-2xdfA:
undetectable		 1ya3A-2xdfA:
17.74
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.
2HA6_A_SCKA902_1
(ACETYLCHOLINESTERASE)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		5 / 10 GLU A 445
GLU A 405
LEU A 370
LEU A 374
TYR A 409
 None
 1.36A 2ha6A-2xdfA:
undetectable		 2ha6A-2xdfA:
21.34
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.
2HA6_B_SCKB952_1
(ACETYLCHOLINESTERASE)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		5 / 10 GLU A 445
GLU A 405
LEU A 370
LEU A 374
TYR A 409
 None
 1.36A 2ha6B-2xdfA:
undetectable		 2ha6B-2xdfA:
21.34
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.
2J9D_A_ACTA1116_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		5 / 9 ILE A 426
LYS A 410
GLU A 407
ILE A 406
ILE A 424
 None
 1.28A 2j9dA-2xdfA:
0.0
2j9dB-2xdfA:
0.0
2j9dC-2xdfA:
0.0		 2j9dA-2xdfA:
12.76
2j9dB-2xdfA:
12.76
2j9dC-2xdfA:
12.76
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.
2J9D_E_ACTE1116_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		5 / 10 ILE A 426
LYS A 410
GLU A 407
ILE A 406
ILE A 424
 None
 1.27A 2j9dD-2xdfA:
undetectable
2j9dE-2xdfA:
undetectable
2j9dF-2xdfA:
undetectable		 2j9dD-2xdfA:
12.76
2j9dE-2xdfA:
12.76
2j9dF-2xdfA:
12.76
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.
2J9D_H_ACTH1113_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		5 / 9 LYS A 410
GLU A 407
ILE A 406
ILE A 424
ILE A 426
 None
 1.24A 2j9dG-2xdfA:
0.0
2j9dH-2xdfA:
0.0
2j9dI-2xdfA:
0.0		 2j9dG-2xdfA:
12.76
2j9dH-2xdfA:
12.76
2j9dI-2xdfA:
12.76
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.
3C6G_A_VD3A701_2
(CYTOCHROME P450 2R1)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		3 / 3 MET A 501
VAL A 488
GLU A 431
 None
 0.84A 3c6gA-2xdfA:
undetectable		 3c6gA-2xdfA:
23.03
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		5 / 12 GLY A 503
GLY A 293
SER A 524
ALA A 527
ALA A 284
 None
 1.13A 3keeA-2xdfA:
undetectable		 3keeA-2xdfA:
14.51
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.
3KO0_H_TFPH202_1
(PROTEIN S100-A4)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		5 / 12 GLU A 167
ASP A 148
LEU A 163
SER A 166
PHE A  73
 None
 1.24A 3ko0G-2xdfA:
0.0
3ko0H-2xdfA:
undetectable
3ko0I-2xdfA:
0.0
3ko0J-2xdfA:
0.0		 3ko0G-2xdfA:
12.15
3ko0H-2xdfA:
12.15
3ko0I-2xdfA:
12.15
3ko0J-2xdfA:
12.15
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.
3N8X_B_NIMB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		5 / 12 HIS A 189
LEU A 173
ILE A 192
ALA A 194
LEU A 199
 None
 1.10A 3n8xB-2xdfA:
undetectable		 3n8xB-2xdfA:
21.66
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_1
(NS3 PROTEASE, NS4A
PROTEIN)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		5 / 12 GLY A 503
GLY A 293
SER A 524
ALA A 527
ALA A 284
 None
 1.04A 3sueB-2xdfA:
undetectable		 3sueB-2xdfA:
18.59
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.
3SUF_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		5 / 12 GLY A 503
GLY A 293
SER A 524
ALA A 527
ALA A 284
 None
 1.06A 3sufA-2xdfA:
undetectable		 3sufA-2xdfA:
18.40
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.
4F4D_B_CHDB505_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		5 / 12 LEU A 513
LEU A 514
LEU A 482
SER A 478
THR A 558
 None
 1.20A 4f4dB-2xdfA:
undetectable		 4f4dB-2xdfA:
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		3 / 3 ARG A 371
GLU A 310
PHE A 314
 None
 0.86A 4kszA-2xdfA:
undetectable		 4kszA-2xdfA:
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.
4KUK_A_RBFA201_2
(BLUE-LIGHT
PHOTORECEPTOR)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		5 / 9 VAL A 481
ILE A 485
LEU A 515
PHE A 523
GLY A 500
 None
 1.09A 4kukA-2xdfA:
undetectable		 4kukA-2xdfA:
12.52
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.
4LTW_A_486A303_1
(ANCESTRAL STEROID
RECEPTOR 2)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		5 / 9 ALA A 376
LEU A 374
TYR A 295
THR A 297
LEU A 300
 None
 1.40A 4ltwA-2xdfA:
undetectable		 4ltwA-2xdfA:
17.33
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		4 / 7 VAL A 227
ILE A 180
ILE A 157
ALA A  16
 None
 0.73A 4lv9A-2xdfA:
4.8		 4lv9A-2xdfA:
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.
4R3A_A_RBFA402_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		5 / 12 ALA A 323
GLN A 313
ILE A 275
ILE A 377
LEU A 386
 None
 1.10A 4r3aA-2xdfA:
undetectable		 4r3aA-2xdfA:
21.69
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		5 / 11 ALA A 549
VAL A 269
ASP A 521
PHE A 523
GLY A 500
 None
 1.20A 4xp4A-2xdfA:
3.7		 4xp4A-2xdfA:
22.60
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.
5FUK_A_SNPA1236_1
(MROUPO)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		4 / 7 ILE A 330
ILE A 377
ILE A 424
PHE A 448
 None
 0.78A 5fukA-2xdfA:
undetectable
5fukB-2xdfA:
undetectable		 5fukA-2xdfA:
17.25
5fukB-2xdfA:
17.25
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.
5LJC_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		4 / 7 LEU A 561
ILE A 451
THR A 453
MET A 501
 None
 1.46A 5ljcA-2xdfA:
undetectable		 5ljcA-2xdfA:
13.97
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.
6A4I_A_TRPA403_0
(TRYPTOPHAN
2,3-DIOXYGENASE)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		4 / 8 ARG A 510
GLU A 504
PRO A 476
ILE A 485
 None
 1.11A 6a4iA-2xdfA:
2.1		 6a4iA-2xdfA:
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.
6NMP_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE
(Escherichia
coli) 		4 / 6 ARG A 379
GLN A 313
LEU A 413
PHE A 420
 None
 1.33A 6nmpC-2xdfA:
1.9
6nmpJ-2xdfA:
undetectable		 6nmpC-2xdfA:
16.41
6nmpJ-2xdfA:
7.71