SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'MLA'


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.
1DY4_A_SNPA437_1
(EXOGLUCANASE 1)
3ipi GERANYLTRANSTRANSFER
ASE

(Methanosarcina
mazei)
5 / 12 ASP A  90
SER A  86
THR A 175
ARG A  54
ASP A 215
None
None
None
MLA  A 305 (-4.0A)
None
1.43A 1dy4A-3ipiA:
undetectable
1dy4A-3ipiA:
21.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H60_A_STRA500_1
(PENTAERYTHRITOL
TETRANITRATE
REDUCTASE)
4m5p NADPH DEHYDROGENASE
(Scheffersomyces
stipitis)
6 / 9 THR A  35
HIS A 188
HIS A 191
TYR A 193
GLN A 248
TYR A 374
FMN  A 501 ( 3.8A)
FMN  A 501 (-3.7A)
MLA  A 507 (-3.7A)
23W  A 508 ( 4.0A)
None
FMN  A 501 (-4.0A)
0.82A 1h60A-4m5pA:
47.2
1h60A-4m5pA:
37.05
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.
1LQT_A_ACTA1869_0
(FPRA)
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus)
4 / 4 ASP A 463
HIS A 429
ARG A 495
GLU A 459
None
ZN  A 701 (-3.2A)
MLA  A 704 (-2.7A)
ZN  A 701 (-2.2A)
1.03A 1lqtA-4k90A:
1.8
1lqtA-4k90A:
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.
1MXD_A_ACRA734_1
(ALPHA AMYLASE)
3bf8 ESTERASE YBFF
(Escherichia
coli)
4 / 6 HIS A 234
TYR A 208
GLY A 203
TRP A 235
MLA  A4892 ( 4.8A)
MLA  A4892 (-4.6A)
None
None
1.35A 1mxdA-3bf8A:
undetectable
1mxdA-3bf8A:
19.50
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.
1MXG_A_ACRA444_1
(ALPHA AMYLASE)
3bf8 ESTERASE YBFF
(Escherichia
coli)
4 / 7 HIS A 234
TYR A 208
GLY A 203
TRP A 235
MLA  A4892 ( 4.8A)
MLA  A4892 (-4.6A)
None
None
1.33A 1mxgA-3bf8A:
undetectable
1mxgA-3bf8A:
19.50
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.
1MZ9_A_VDYA1002_5
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)
3ipi GERANYLTRANSTRANSFER
ASE

(Methanosarcina
mazei)
4 / 4 LEU A 280
VAL A  61
CYH A  65
ALA A 192
None
None
MLA  A 309 (-4.4A)
None
1.14A 1mz9E-3ipiA:
undetectable
1mz9E-3ipiA:
10.41
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.
1UNJ_F_DVAF2_0
(7-AMINO-ACTINOMYCIN
D)
4mzy NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Enterococcus
faecalis)
3 / 3 THR A 358
PRO A 360
THR A 359
None
None
MLA  A 517 (-3.9A)
0.83A 1unjF-4mzyA:
undetectable
1unjF-4mzyA:
6.10
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus)
5 / 8 GLU A 459
HIS A 429
HIS A 520
HIS A 433
GLU A 430
ZN  A 701 (-2.2A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.6A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.7A)
1.30A 1v7zA-4k90A:
undetectable
1v7zA-4k90A:
20.95
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.
1V7Z_B_CRNB3401_1
(CREATININE
AMIDOHYDROLASE)
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus)
5 / 8 GLU A 459
HIS A 429
HIS A 520
HIS A 433
GLU A 430
ZN  A 701 (-2.2A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.6A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.7A)
1.31A 1v7zB-4k90A:
undetectable
1v7zB-4k90A:
20.95
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.
1V7Z_C_CRNC4401_1
(CREATININE
AMIDOHYDROLASE)
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus)
5 / 8 GLU A 459
HIS A 429
HIS A 520
HIS A 433
GLU A 430
ZN  A 701 (-2.2A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.6A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.7A)
1.31A 1v7zC-4k90A:
undetectable
1v7zC-4k90A:
20.95
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.
1V7Z_D_CRND5401_1
(CREATININE
AMIDOHYDROLASE)
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus)
5 / 8 GLU A 459
HIS A 429
HIS A 520
HIS A 433
GLU A 430
ZN  A 701 (-2.2A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.6A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.7A)
1.31A 1v7zD-4k90A:
undetectable
1v7zD-4k90A:
20.95
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.
1V7Z_E_CRNE6401_1
(CREATININE
AMIDOHYDROLASE)
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus)
5 / 8 GLU A 459
HIS A 429
HIS A 520
HIS A 433
GLU A 430
ZN  A 701 (-2.2A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.6A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.7A)
1.30A 1v7zE-4k90A:
undetectable
1v7zE-4k90A:
20.95
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.
1V7Z_F_CRNF7401_1
(CREATININE
AMIDOHYDROLASE)
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus)
5 / 8 GLU A 459
HIS A 429
HIS A 520
HIS A 433
GLU A 430
ZN  A 701 (-2.2A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.6A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.7A)
1.32A 1v7zF-4k90A:
undetectable
1v7zF-4k90A:
20.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ABA_A_STRA1500_1
(PENTAERYTHRITOL
TETRANITRATE
REDUCTASE)
4m5p NADPH DEHYDROGENASE
(Scheffersomyces
stipitis)
6 / 9 THR A  35
HIS A 188
HIS A 191
TYR A 193
GLN A 248
TYR A 374
FMN  A 501 ( 3.8A)
FMN  A 501 (-3.7A)
MLA  A 507 (-3.7A)
23W  A 508 ( 4.0A)
None
FMN  A 501 (-4.0A)
0.86A 2abaA-4m5pA:
47.2
2abaA-4m5pA:
37.05
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.
2BTE_A_LEUA1894_0
(AMINOACYL-TRNA
SYNTHETASE)
3fss HISTONE CHAPERONE
RTT106

(Saccharomyces
cerevisiae)
4 / 8 ASP A 255
SER A 254
TYR A 297
HIS A 239
None
None
None
MLA  A 302 ( 3.5A)
1.18A 2bteA-3fssA:
undetectable
2bteA-3fssA:
13.21
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.
2BTE_D_LEUD1893_0
(AMINOACYL-TRNA
SYNTHETASE)
3fss HISTONE CHAPERONE
RTT106

(Saccharomyces
cerevisiae)
4 / 8 ASP A 255
SER A 254
TYR A 297
HIS A 239
None
None
None
MLA  A 302 ( 3.5A)
1.22A 2bteD-3fssA:
undetectable
2bteD-3fssA:
13.21
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.
2C12_C_SPMC1434_1
(NITROALKANE OXIDASE)
4b0n POLYKETIDE SYNTHASE
III

(Ectocarpus
siliculosus)
5 / 12 LEU A 125
VAL A 133
ALA A 132
LEU A 166
ASP A 171
None
None
None
MLA  A1415 (-4.1A)
None
1.15A 2c12C-4b0nA:
undetectable
2c12C-4b0nA:
22.69
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.
2C6N_A_LPRA705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus)
5 / 12 ALA A 393
HIS A 429
GLU A 430
HIS A 433
GLU A 459
MLA  A 704 (-4.4A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.7A)
ZN  A 701 (-3.2A)
ZN  A 701 (-2.2A)
0.33A 2c6nA-4k90A:
7.9
2c6nA-4k90A:
22.71
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.
2FT9_A_CHDA131_0
(FATTY ACID-BINDING
PROTEIN 2, LIVER)
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae)
5 / 11 LEU A 410
LEU A 391
ILE A 403
PRO A 353
ASN A 352
None
None
None
MLA  A2100 (-3.9A)
None
1.18A 2ft9A-3h09A:
undetectable
2ft9A-3h09A:
8.53
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.
2FT9_A_CHDA131_0
(FATTY ACID-BINDING
PROTEIN 2, LIVER)
5c8w CGMP-DEPENDENT
PROTEIN KINASE 2

(Homo
sapiens)
5 / 11 LEU A 169
LEU A 163
ILE A 236
ASN A 203
MET A 184
None
None
None
MLA  A 301 (-4.9A)
None
1.36A 2ft9A-5c8wA:
undetectable
2ft9A-5c8wA:
22.45
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.
2HDN_B_TACB1888_1
(ELONGATION FACTOR
EF-TU)
1ys4 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Methanocaldococc
us
jannaschii)
4 / 5 SER A  93
ASP A  94
PRO A  92
SER A 115
None
None
NAP  A 900 (-4.3A)
MLA  A 904 (-4.1A)
1.42A 2hdnA-1ys4A:
undetectable
2hdnB-1ys4A:
undetectable
2hdnD-1ys4A:
1.9
2hdnA-1ys4A:
7.06
2hdnB-1ys4A:
22.28
2hdnD-1ys4A:
22.28
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.
2HDN_D_TACD2888_1
(ELONGATION FACTOR
EF-TU)
1ys4 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Methanocaldococc
us
jannaschii)
4 / 5 SER A 115
SER A  93
ASP A  94
PRO A  92
MLA  A 904 (-4.1A)
None
None
NAP  A 900 (-4.3A)
1.43A 2hdnB-1ys4A:
undetectable
2hdnC-1ys4A:
undetectable
2hdnD-1ys4A:
1.9
2hdnB-1ys4A:
22.28
2hdnC-1ys4A:
7.06
2hdnD-1ys4A:
22.28
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.
2I30_A_SALA1100_1
(SERUM ALBUMIN)
3pf7 BENZOYL-COA
OXYGENASE COMPONENT
B

(Azoarcus
evansii)
4 / 6 PHE A 193
TYR A 299
ARG A 212
GLY A 214
MLA  A1004 (-4.1A)
None
None
MLA  A1004 (-3.2A)
1.32A 2i30A-3pf7A:
1.2
2i30A-3pf7A:
22.19
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.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)
3ipi GERANYLTRANSTRANSFER
ASE

(Methanosarcina
mazei)
5 / 12 ILE A  53
LEU A 280
PHE A 203
ALA A 264
PHE A 179
MLA  A 305 (-4.5A)
None
None
None
None
1.15A 2noaA-3ipiA:
undetectable
2noaA-3ipiA:
21.20
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.
2V0G_A_LEUA1887_0
(AMINOACYL-TRNA
SYNTHETASE)
3fss HISTONE CHAPERONE
RTT106

(Saccharomyces
cerevisiae)
4 / 8 ASP A 255
SER A 254
TYR A 297
HIS A 239
None
None
None
MLA  A 302 ( 3.5A)
1.28A 2v0gA-3fssA:
undetectable
2v0gA-3fssA:
13.21
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.
2VPP_A_GEOA1210_1
(DEOXYNUCLEOSIDE
KINASE)
3pf7 BENZOYL-COA
OXYGENASE COMPONENT
B

(Azoarcus
evansii)
5 / 12 GLU A 150
VAL A 146
GLN A 126
ALA A 122
PHE A 193
FE  A1001 ( 2.5A)
None
None
None
MLA  A1004 (-4.1A)
1.25A 2vppA-3pf7A:
0.7
2vppA-3pf7A:
17.28
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.
2VPP_B_GEOB1207_1
(DEOXYNUCLEOSIDE
KINASE)
3pf7 BENZOYL-COA
OXYGENASE COMPONENT
B

(Azoarcus
evansii)
5 / 12 GLU A 150
VAL A 146
GLN A 126
ALA A 122
PHE A 193
FE  A1001 ( 2.5A)
None
None
None
MLA  A1004 (-4.1A)
1.29A 2vppB-3pf7A:
undetectable
2vppB-3pf7A:
17.28
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.
2WEY_B_EV1B1771_1
(CAMP AND
CAMP-INHIBITED CGMP
3', 5'-CYCLIC
PHOSPHODIESTERASE)
3ih5 ELECTRON TRANSFER
FLAVOPROTEIN
ALPHA-SUBUNIT

(Bacteroides
thetaiotaomicron)
5 / 8 VAL A 107
ILE A  79
TYR A 193
PHE A  63
PHE A  84
None
None
MLA  A 216 (-3.7A)
None
None
1.33A 2weyB-3ih5A:
undetectable
2weyB-3ih5A:
23.56
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.
2XPW_A_OTCA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)
3fss HISTONE CHAPERONE
RTT106

(Saccharomyces
cerevisiae)
5 / 12 LEU A 236
SER A 201
ASN A 202
PHE A 204
ILE A 138
MLA  A 302 (-3.9A)
MLA  A 302 (-2.6A)
None
None
None
1.10A 2xpwA-3fssA:
undetectable
2xpwA-3fssA:
23.98
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus)
5 / 8 GLU A 459
HIS A 429
HIS A 520
HIS A 433
GLU A 430
ZN  A 701 (-2.2A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.6A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.7A)
1.26A 3a6jA-4k90A:
undetectable
3a6jA-4k90A:
20.95
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus)
5 / 7 GLU A 459
HIS A 429
HIS A 520
HIS A 433
GLU A 430
ZN  A 701 (-2.2A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.6A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.7A)
1.24A 3a6jB-4k90A:
undetectable
3a6jB-4k90A:
20.95
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.
3A6J_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus)
5 / 8 GLU A 459
HIS A 429
HIS A 520
HIS A 433
GLU A 430
ZN  A 701 (-2.2A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.6A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.7A)
1.25A 3a6jC-4k90A:
undetectable
3a6jC-4k90A:
20.95
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.
3A6J_E_CRNE306_1
(CREATININE
AMIDOHYDROLASE)
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus)
5 / 8 GLU A 459
HIS A 429
HIS A 520
HIS A 433
GLU A 430
ZN  A 701 (-2.2A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.6A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.7A)
1.26A 3a6jE-4k90A:
undetectable
3a6jE-4k90A:
20.95
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.
3A6J_F_CRNF307_1
(CREATININE
AMIDOHYDROLASE)
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus)
5 / 8 GLU A 459
HIS A 429
HIS A 520
HIS A 433
GLU A 430
ZN  A 701 (-2.2A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.6A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.7A)
1.25A 3a6jF-4k90A:
undetectable
3a6jF-4k90A:
20.95
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.
3AX9_B_SALB1340_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
3v7n THREONINE SYNTHASE
(Burkholderia
thailandensis)
4 / 8 PHE A 125
THR A 158
ALA A 430
ALA A 124
None
MLA  A 484 ( 3.4A)
None
None
1.01A 3ax9B-3v7nA:
undetectable
3ax9B-3v7nA:
16.60
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.
3EL9_A_DR7A100_1
(PROTEASE)
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus)
4 / 8 GLY A 425
ILE A 426
PRO A 258
THR A 259
None
MLA  A 704 ( 4.6A)
None
None
0.74A 3el9A-4k90A:
undetectable
3el9A-4k90A:
17.01
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.
3FRQ_A_ERYA195_1
(REPRESSOR PROTEIN
MPHR(A))
3wuc GALECTIN
(Xenopus
laevis)
4 / 5 ASN A 125
ARG A  32
ASN A  31
ALA A  27
MLA  A 203 (-3.9A)
GAL  A 202 (-2.8A)
None
None
1.28A 3frqA-3wucA:
undetectable
3frqA-3wucA:
19.46
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.
3FRQ_B_ERYB195_1
(REPRESSOR PROTEIN
MPHR(A))
3wuc GALECTIN
(Xenopus
laevis)
4 / 7 ASN A 125
ARG A  32
ASN A  31
ALA A  27
MLA  A 203 (-3.9A)
GAL  A 202 (-2.8A)
None
None
1.30A 3frqB-3wucA:
undetectable
3frqB-3wucA:
19.46
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.
3JAY_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)
4qxw CARCINOEMBRYONIC
ANTIGEN-RELATED CELL
ADHESION MOLECULE 1

(Homo
sapiens)
5 / 12 ASN A  61
SER A  62
ARG A  43
ASP A  82
ASN A  81
None
None
MLA  A 201 (-2.8A)
None
None
1.41A 3jayA-4qxwA:
undetectable
3jayA-4qxwA:
7.37
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.
3JB3_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)
4qxw CARCINOEMBRYONIC
ANTIGEN-RELATED CELL
ADHESION MOLECULE 1

(Homo
sapiens)
5 / 12 ASN A  61
SER A  62
ARG A  43
ASP A  82
ASN A  81
None
None
MLA  A 201 (-2.8A)
None
None
1.42A 3jb3A-4qxwA:
undetectable
3jb3A-4qxwA:
7.37
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_B_30BB500_1
(GENOME POLYPROTEIN)
4joc LYSOPHOSPHATIDIC
ACID PHOSPHATASE
TYPE 6

(Homo
sapiens)
5 / 12 GLN A 131
GLY A 128
SER A 172
ARG A 168
ALA A 333
None
None
None
MLA  A 501 (-3.7A)
None
1.09A 3keeB-4jocA:
undetectable
3keeB-4jocA:
19.08
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.
3KO0_M_TFPM201_1
(PROTEIN S100-A4)
5c8w CGMP-DEPENDENT
PROTEIN KINASE 2

(Homo
sapiens)
4 / 7 GLY A 202
PHE A 206
GLY A 232
PHE A 231
MLA  A 301 ( 4.0A)
None
PCG  A 302 (-3.6A)
None
0.99A 3ko0M-5c8wA:
undetectable
3ko0P-5c8wA:
undetectable
3ko0M-5c8wA:
21.57
3ko0P-5c8wA:
21.57
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
1q44 STEROID
SULFOTRANSFERASE

(Arabidopsis
thaliana)
5 / 12 PHE A 115
GLY A 118
THR A  47
ILE A 201
MET A 167
None
None
MLA  A 901 (-2.7A)
MLA  A 901 (-4.5A)
None
1.06A 3ld6B-1q44A:
undetectable
3ld6B-1q44A:
21.56
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.
3LSL_A_PZIA801_0
(GLUTAMATE RECEPTOR 2)
4b0n POLYKETIDE SYNTHASE
III

(Ectocarpus
siliculosus)
4 / 8 SER A 162
GLY A 190
SER A 367
ASN A 199
None
MLA  A1415 ( 3.5A)
None
None
0.97A 3lslA-4b0nA:
undetectable
3lslD-4b0nA:
undetectable
3lslA-4b0nA:
20.72
3lslD-4b0nA:
20.72
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.
3N23_C_OBNC1_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)
4b0n POLYKETIDE SYNTHASE
III

(Ectocarpus
siliculosus)
5 / 11 ASP A 171
LEU A 174
VAL A 136
ALA A 132
PHE A 165
None
None
None
None
MLA  A1415 (-4.3A)
1.14A 3n23C-4b0nA:
undetectable
3n23C-4b0nA:
17.67
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.
3NS1_C_PM6C1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
3v7n THREONINE SYNTHASE
(Burkholderia
thailandensis)
4 / 6 PHE A 125
THR A 158
ALA A 430
ALA A 124
None
MLA  A 484 ( 3.4A)
None
None
0.97A 3ns1C-3v7nA:
undetectable
3ns1C-3v7nA:
20.90
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.
3NS1_L_PM6L1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
3v7n THREONINE SYNTHASE
(Burkholderia
thailandensis)
4 / 8 PHE A 125
THR A 158
ALA A 430
ALA A 124
None
MLA  A 484 ( 3.4A)
None
None
0.98A 3ns1L-3v7nA:
undetectable
3ns1L-3v7nA:
20.90
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.
3OU7_B_SAMB300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)
3v7n THREONINE SYNTHASE
(Burkholderia
thailandensis)
3 / 3 TYR A 164
ASP A 127
ASP A 157
None
None
MLA  A 484 (-4.8A)
1.00A 3ou7B-3v7nA:
undetectable
3ou7B-3v7nA:
18.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UPW_A_NCAA412_0
(OLD YELLOW ENZYME
2.6 (OYE2.6), NADPH
DEHYDROGENASE)
4m5p NADPH DEHYDROGENASE
(Scheffersomyces
stipitis)
8 / 9 THR A  35
ALA A  68
HIS A 188
HIS A 191
TYR A 193
PHE A 247
ASN A 293
TYR A 374
FMN  A 501 ( 3.8A)
FMN  A 501 ( 3.3A)
FMN  A 501 (-3.7A)
MLA  A 507 (-3.7A)
23W  A 508 ( 4.0A)
23W  A 508 ( 4.4A)
MLA  A 507 ( 4.1A)
FMN  A 501 (-4.0A)
0.29A 3upwA-4m5pA:
75.4
3upwA-4m5pA:
99.51
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.
3WRK_D_CAMD502_0
(CAMPHOR
5-MONOOXYGENASE)
4b0n POLYKETIDE SYNTHASE
III

(Ectocarpus
siliculosus)
4 / 5 PHE A 165
LEU A 284
GLY A 193
VAL A 160
MLA  A1415 (-4.3A)
ACD  A1416 (-4.3A)
ACD  A1416 ( 4.3A)
None
1.03A 3wrkD-4b0nA:
undetectable
3wrkD-4b0nA:
22.47
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.
3ZOA_A_ACRA1587_2
(TREHALOSE
SYNTHASE/AMYLASE
TRES)
1s1f PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor)
3 / 3 ARG A  81
PHE A  86
PRO A  88
None
MLA  A 432 (-4.9A)
MLA  A 432 (-4.3A)
0.77A 3zoaB-1s1fA:
undetectable
3zoaB-1s1fA:
23.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)
4m5p NADPH DEHYDROGENASE
(Scheffersomyces
stipitis)
5 / 6 THR A  35
HIS A 188
HIS A 191
TYR A 193
TYR A 374
FMN  A 501 ( 3.8A)
FMN  A 501 (-3.7A)
MLA  A 507 (-3.7A)
23W  A 508 ( 4.0A)
FMN  A 501 (-4.0A)
0.28A 4df2A-4m5pA:
75.3
4df2A-4m5pA:
99.26
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.
4DTZ_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT 8C8)
3kl0 GLUCURONOXYLANASE
XYNC

(Bacillus
subtilis)
4 / 6 PHE A 375
ALA A 377
ALA A 329
THR A 385
None
MLA  A 403 ( 4.5A)
None
None
0.95A 4dtzA-3kl0A:
undetectable
4dtzA-3kl0A:
20.53
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.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)
1s1f PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor)
5 / 11 HIS A 183
SER A 182
ILE A  87
GLY A 292
TYR A 318
None
None
MLA  A 432 ( 3.9A)
MLA  A 433 ( 3.6A)
HEM  A 430 (-4.5A)
1.21A 4fogA-1s1fA:
0.0
4fogA-1s1fA:
21.36
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.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)
1s1f PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor)
5 / 11 HIS A 183
SER A 182
ILE A  87
GLY A 292
TYR A 318
None
None
MLA  A 432 ( 3.9A)
MLA  A 433 ( 3.6A)
HEM  A 430 (-4.5A)
1.21A 4fogC-1s1fA:
0.0
4fogC-1s1fA:
21.36
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.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)
1s1f PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor)
5 / 12 HIS A 183
SER A 182
ILE A  87
GLY A 292
TYR A 318
None
None
MLA  A 432 ( 3.9A)
MLA  A 433 ( 3.6A)
HEM  A 430 (-4.5A)
1.19A 4foxA-1s1fA:
0.0
4foxA-1s1fA:
21.36
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.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)
1s1f PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor)
5 / 12 HIS A 183
SER A 182
ILE A  87
GLY A 292
TYR A 318
None
None
MLA  A 432 ( 3.9A)
MLA  A 433 ( 3.6A)
HEM  A 430 (-4.5A)
1.11A 4foxB-1s1fA:
0.0
4foxB-1s1fA:
21.36
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.
4FOX_E_D16E301_1
(THYMIDYLATE SYNTHASE)
1s1f PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor)
5 / 12 HIS A 183
SER A 182
ILE A  87
GLY A 292
TYR A 318
None
None
MLA  A 432 ( 3.9A)
MLA  A 433 ( 3.6A)
HEM  A 430 (-4.5A)
1.20A 4foxE-1s1fA:
0.0
4foxE-1s1fA:
21.36
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.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)
1s1f PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor)
5 / 12 HIS A 183
SER A 182
ILE A  87
GLY A 292
TYR A 318
None
None
MLA  A 432 ( 3.9A)
MLA  A 433 ( 3.6A)
HEM  A 430 (-4.5A)
1.21A 4foxG-1s1fA:
0.0
4foxG-1s1fA:
21.36
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.
4FOX_H_D16H301_1
(THYMIDYLATE SYNTHASE)
1s1f PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor)
5 / 11 HIS A 183
SER A 182
ILE A  87
GLY A 292
TYR A 318
None
None
MLA  A 432 ( 3.9A)
MLA  A 433 ( 3.6A)
HEM  A 430 (-4.5A)
1.30A 4foxH-1s1fA:
0.0
4foxH-1s1fA:
21.36
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.
4HTF_A_ACTA303_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)
3ipi GERANYLTRANSTRANSFER
ASE

(Methanosarcina
mazei)
3 / 3 TYR A 211
HIS A  83
ARG A  54
None
MLA  A 305 ( 4.7A)
MLA  A 305 (-4.0A)
1.02A 4htfA-3ipiA:
undetectable
4htfA-3ipiA:
21.36
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.
4M11_B_MXMB606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3fss HISTONE CHAPERONE
RTT106

(Saccharomyces
cerevisiae)
5 / 12 ILE A 241
LEU A 250
ALA A 126
SER A 127
LEU A 129
None
None
GOL  A   1 (-4.3A)
MLA  A 302 ( 4.5A)
None
1.05A 4m11B-3fssA:
undetectable
4m11B-3fssA:
19.59
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.
4O2B_B_LOCB503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)
3bf8 ESTERASE YBFF
(Escherichia
coli)
3 / 3 SER A  89
ALA A 111
VAL A 110
MLA  A4892 (-3.2A)
None
None
0.61A 4o2bA-3bf8A:
undetectable
4o2bA-3bf8A:
20.62
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.
4O2B_D_LOCD503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)
3bf8 ESTERASE YBFF
(Escherichia
coli)
3 / 3 SER A  89
ALA A 111
VAL A 110
MLA  A4892 (-3.2A)
None
None
0.58A 4o2bC-3bf8A:
undetectable
4o2bC-3bf8A:
20.62
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.
4X1I_B_LOCB502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
3bf8 ESTERASE YBFF
(Escherichia
coli)
3 / 3 SER A  89
ALA A 111
VAL A 110
MLA  A4892 (-3.2A)
None
None
0.50A 4x1iA-3bf8A:
3.4
4x1iA-3bf8A:
20.62
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.
5DNU_A_BEZA319_0
(SHKAI2IB)
4pdd TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Polaromonas
sp.
JS666)
4 / 5 GLN A 329
ILE A 325
ILE A 110
TYR A 313
None
None
None
MLA  A 404 (-4.4A)
1.25A 5dnuA-4pddA:
undetectable
5dnuA-4pddA:
20.86
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.
5DNV_A_BEZA304_0
(SHKAI2IB)
4pdd TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Polaromonas
sp.
JS666)
4 / 5 GLN A 329
ILE A 325
ILE A 110
TYR A 313
None
None
None
MLA  A 404 (-4.4A)
1.16A 5dnvA-4pddA:
undetectable
5dnvA-4pddA:
20.86
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.
5DV4_A_NMYA601_2
(CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT
6-LIKE)
2f8a GLUTATHIONE
PEROXIDASE 1

(Homo
sapiens)
3 / 3 GLU A 163
TRP A 160
ASN A 116
None
MLA  A 501 (-4.1A)
None
1.01A 5dv4A-2f8aA:
undetectable
5dv4A-2f8aA:
19.59
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.
5EYP_B_LOCB502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
3bf8 ESTERASE YBFF
(Escherichia
coli)
3 / 3 SER A  89
ALA A 111
VAL A 110
MLA  A4892 (-3.2A)
None
None
0.46A 5eypA-3bf8A:
1.7
5eypA-3bf8A:
20.62
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.
5HRQ_G_IPHG101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)
2wal GROWTH ARREST AND
DNA-DAMAGE-INDUCIBLE
PROTEIN GADD45 GAMMA

(Homo
sapiens)
4 / 6 HIS A  77
LEU A  74
CYH A 119
LEU A  62
MLA  A1161 (-4.0A)
None
None
None
1.41A 5hrqD-2walA:
undetectable
5hrqG-2walA:
undetectable
5hrqH-2walA:
undetectable
5hrqD-2walA:
6.92
5hrqG-2walA:
7.38
5hrqH-2walA:
6.92
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.
5PBE_A_TYLA2001_1
(BROMODOMAIN ADJACENT
TO ZINC FINGER
DOMAIN PROTEIN 2B)
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae)
4 / 6 PRO A 353
VAL A 369
VAL A 389
ILE A 403
MLA  A2100 (-3.9A)
None
None
None
0.84A 5pbeA-3h09A:
undetectable
5pbeA-3h09A:
8.47
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.
5TDZ_A_ADNA905_1
(ATP-CITRATE SYNTHASE)
5ku7 TIR-NB-LRR TYPE
RESISTANCE PROTEIN
RPV1

(Vitis
rotundifolia)
4 / 6 ARG A  31
ARG A  92
LEU A  95
ASP A  96
MLA  A 201 (-2.7A)
None
None
None
1.08A 5tdzA-5ku7A:
4.6
5tdzA-5ku7A:
17.63
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.
5VKQ_C_PCFC1803_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)
5fpz PECTIN DEGRADATION
PROTEIN

(Yersinia
enterocolitica)
4 / 8 PHE A 102
PHE A  62
VAL A  64
ILE A  54
MLA  A1112 (-4.6A)
None
None
None
1.10A 5vkqB-5fpzA:
undetectable
5vkqC-5fpzA:
undetectable
5vkqB-5fpzA:
5.09
5vkqC-5fpzA:
5.09
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.
5VUN_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)
5jse PHIAB6 TAILSPIKE
(unidentified
phage)
4 / 8 SER A 191
ARG A 189
GLN A 242
ASN A 192
None
MLA  A 601 (-2.9A)
None
None
1.29A 5vunB-5jseA:
undetectable
5vunB-5jseA:
21.13
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.
5VUO_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)
5jse PHIAB6 TAILSPIKE
(unidentified
phage)
4 / 8 SER A 191
ARG A 189
GLN A 242
ASN A 192
None
MLA  A 601 (-2.9A)
None
None
1.32A 5vuoB-5jseA:
undetectable
5vuoB-5jseA:
21.13
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.
5XIW_D_LOCD503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA CHAIN)
3bf8 ESTERASE YBFF
(Escherichia
coli)
3 / 3 SER A  89
ALA A 111
VAL A 110
MLA  A4892 (-3.2A)
None
None
0.55A 5xiwC-3bf8A:
1.9
5xiwC-3bf8A:
14.34
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.
5ZHM_B_SAMB301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
4mzy NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Enterococcus
faecalis)
4 / 4 ARG A 164
SER A 292
ASP A 264
HIS A 205
CL  A 518 (-3.9A)
None
FMT  A 520 ( 4.5A)
MLA  A 515 (-3.9A)
1.27A 5zhmA-4mzyA:
0.3
5zhmA-4mzyA:
18.62
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.
6APH_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)
4pdd TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Polaromonas
sp.
JS666)
4 / 5 GLN A 268
THR A 271
THR A  96
LEU A 136
None
None
None
MLA  A 403 ( 4.6A)
1.39A 6aphA-4pddA:
undetectable
6aphA-4pddA:
22.05
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.
6AUU_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)
5jse PHIAB6 TAILSPIKE
(unidentified
phage)
4 / 8 SER A 191
ARG A 189
GLN A 242
ASN A 192
None
MLA  A 601 (-2.9A)
None
None
1.30A 6auuB-5jseA:
undetectable
6auuB-5jseA:
21.13