SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4yyf'

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.
1IWJ_A_CAMA418_0
(CYTOCHROME P450-CAM)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
5 / 9 THR A  99
VAL A 123
VAL A  84
ASP A  80
VAL A  85
None
1.26A 1iwjA-4yyfA:
undetectable
1iwjA-4yyfA:
22.95
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.
1MT1_A_AG2A7005_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 6 LEU A  70
ASP A 339
LEU A 308
ARG A 296
None
0.88A 1mt1A-4yyfA:
undetectable
1mt1F-4yyfA:
undetectable
1mt1A-4yyfA:
9.12
1mt1F-4yyfA:
13.61
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.
1MT1_B_AG2B7001_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 6 ARG A 296
LEU A  70
ASP A 339
LEU A 308
None
0.91A 1mt1B-4yyfA:
undetectable
1mt1C-4yyfA:
undetectable
1mt1B-4yyfA:
13.61
1mt1C-4yyfA:
9.12
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.
1MT1_G_AG2G7003_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
5 / 6 LEU A  70
ASP A 339
LEU A 308
GLY A 307
ARG A 296
None
0.93A 1mt1G-4yyfA:
undetectable
1mt1J-4yyfA:
undetectable
1mt1G-4yyfA:
9.12
1mt1J-4yyfA:
13.61
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.
1MT1_K_AG2K7002_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
5 / 7 ARG A 296
LEU A  70
ASP A 339
LEU A 308
GLY A 307
None
0.96A 1mt1H-4yyfA:
undetectable
1mt1K-4yyfA:
undetectable
1mt1H-4yyfA:
13.61
1mt1K-4yyfA:
9.12
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.
1N13_B_AG2B7011_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 5 ARG A 296
LEU A  70
ASP A 339
LEU A 308
None
0.85A 1n13B-4yyfA:
undetectable
1n13C-4yyfA:
undetectable
1n13B-4yyfA:
13.61
1n13C-4yyfA:
9.12
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.
1N13_H_AG2H7012_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
5 / 6 ARG A 296
LEU A  70
ASP A 339
LEU A 308
GLY A 307
None
0.93A 1n13H-4yyfA:
undetectable
1n13K-4yyfA:
undetectable
1n13H-4yyfA:
13.61
1n13K-4yyfA:
9.12
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.
1N13_J_AG2J7013_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
5 / 7 LEU A  70
ASP A 339
LEU A 308
GLY A 307
ARG A 296
None
0.92A 1n13G-4yyfA:
undetectable
1n13J-4yyfA:
undetectable
1n13G-4yyfA:
9.12
1n13J-4yyfA:
13.61
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.
1N13_L_AG2L7014_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 7 LEU A  70
ASP A 339
LEU A 308
ARG A 296
None
0.85A 1n13I-4yyfA:
undetectable
1n13L-4yyfA:
undetectable
1n13I-4yyfA:
9.12
1n13L-4yyfA:
13.61
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.
1S9P_A_DESA459_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
6 / 12 ALA A 208
LEU A 261
VAL A 267
ARG A 216
HIS A 226
ILE A 192
None
None
None
None
ACT  A 401 (-3.5A)
None
1.14A 1s9pA-4yyfA:
undetectable
1s9pA-4yyfA:
23.48
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.
1S9P_C_DESC500_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
5 / 12 ALA A 208
LEU A 261
VAL A 267
ARG A 216
ILE A 192
None
1.06A 1s9pC-4yyfA:
undetectable
1s9pC-4yyfA:
23.48
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.
1S9P_D_DESD600_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
6 / 12 ALA A 208
LEU A 261
VAL A 267
ARG A 216
HIS A 226
ILE A 192
None
None
None
None
ACT  A 401 (-3.5A)
None
1.19A 1s9pD-4yyfA:
undetectable
1s9pD-4yyfA:
23.48
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.
1SG9_A_SAMA301_1
(HEMK PROTEIN)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 4 THR A 280
GLY A 229
ASP A 182
ALA A 233
None
1.17A 1sg9A-4yyfA:
undetectable
1sg9A-4yyfA:
22.11
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.
1WMQ_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 6 ARG A 195
ILE A 192
GLY A 193
ALA A 188
ACT  A 401 (-2.8A)
None
None
None
0.85A 1wmqA-4yyfA:
undetectable
1wmqA-4yyfA:
20.00
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.
1WMQ_B_HISB1001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 6 ARG A 195
ILE A 192
GLY A 193
ALA A 188
ACT  A 401 (-2.8A)
None
None
None
0.84A 1wmqB-4yyfA:
undetectable
1wmqB-4yyfA:
20.00
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.
1WOP_A_FFOA2887_1
(AMINOMETHYLTRANSFERA
SE)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
3 / 3 ASP A 236
GLU A 128
ARG A 146
None
0.78A 1wopA-4yyfA:
undetectable
1wopA-4yyfA:
23.75
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.
1WPU_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 6 ARG A 195
ILE A 192
GLY A 193
ALA A 188
ACT  A 401 (-2.8A)
None
None
None
0.84A 1wpuA-4yyfA:
undetectable
1wpuA-4yyfA:
20.00
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.
1WPU_B_HISB1001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 6 ARG A 195
ILE A 192
GLY A 193
ALA A 188
ACT  A 401 (-2.8A)
None
None
None
0.83A 1wpuB-4yyfA:
undetectable
1wpuB-4yyfA:
20.00
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.
1WRQ_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 6 ARG A 195
ILE A 192
GLY A 193
ALA A 188
ACT  A 401 (-2.8A)
None
None
None
0.87A 1wrqA-4yyfA:
undetectable
1wrqA-4yyfA:
20.00
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.
1WRQ_B_HISB1001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 6 ARG A 195
ILE A 192
GLY A 193
ALA A 188
ACT  A 401 (-2.8A)
None
None
None
0.87A 1wrqB-4yyfA:
undetectable
1wrqB-4yyfA:
20.00
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.
2AVD_B_SAMB601_0
(CATECHOL-O-METHYLTRA
NSFERASE)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
5 / 12 PHE A 305
VAL A 291
ALA A 336
ASP A 339
ALA A 338
None
1.39A 2avdB-4yyfA:
undetectable
2avdB-4yyfA:
21.73
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.
2BXG_A_IBPA2002_1
(SERUM ALBUMIN)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 8 ALA A 341
ALA A 329
LEU A 353
VAL A 352
None
0.88A 2bxgA-4yyfA:
undetectable
2bxgA-4yyfA:
21.21
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.
2CP4_A_CAMA416_0
(CYTOCHROME P450-CAM)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
5 / 10 THR A  99
VAL A 123
VAL A  84
ASP A  80
VAL A  85
None
1.30A 2cp4A-4yyfA:
undetectable
2cp4A-4yyfA:
22.95
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.
2DCF_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
5 / 12 ALA A 136
VAL A 125
ASP A 176
GLY A 140
ILE A 139
None
1.30A 2dcfA-4yyfA:
undetectable
2dcfA-4yyfA:
24.89
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.
2E1Q_A_SALA2006_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 6 ARG A 355
VAL A 330
LEU A 334
ALA A 359
None
0.99A 2e1qA-4yyfA:
undetectable
2e1qA-4yyfA:
14.81
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.
2E1Q_C_SALC4006_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 6 ARG A 355
VAL A 330
LEU A 334
ALA A 359
None
0.96A 2e1qC-4yyfA:
undetectable
2e1qC-4yyfA:
14.81
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.
2QBO_A_CAMA442_0
(CYTOCHROME P450-CAM)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
5 / 10 THR A  99
VAL A 123
VAL A  84
ASP A  80
VAL A  85
None
1.26A 2qboA-4yyfA:
undetectable
2qboA-4yyfA:
22.27
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.
2QBO_A_CAMA442_0
(CYTOCHROME P450-CAM)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
5 / 10 THR A  99
VAL A 123
VAL A  84
ASP A  80
VAL A  85
None
1.31A 2qboA-4yyfA:
undetectable
2qboA-4yyfA:
22.27
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.
2QQC_A_AG2A671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 7 ARG A 296
LEU A  70
ASP A 339
LEU A 308
None
0.89A 2qqcB-4yyfA:
undetectable
2qqcC-4yyfA:
undetectable
2qqcB-4yyfA:
13.61
2qqcC-4yyfA:
9.12
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.
2QQC_A_AG2A672_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 7 LEU A  70
ASP A 339
LEU A 308
ARG A 296
None
0.90A 2qqcA-4yyfA:
undetectable
2qqcF-4yyfA:
undetectable
2qqcA-4yyfA:
9.12
2qqcF-4yyfA:
13.61
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.
2QQC_E_AG2E671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
5 / 7 ARG A 296
LEU A  70
ASP A 339
LEU A 308
GLY A 307
None
0.98A 2qqcD-4yyfA:
undetectable
2qqcE-4yyfA:
undetectable
2qqcD-4yyfA:
13.61
2qqcE-4yyfA:
9.12
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.
2QQC_I_AG2I671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 7 LEU A  70
ASP A 339
LEU A 308
ARG A 296
None
0.92A 2qqcG-4yyfA:
undetectable
2qqcJ-4yyfA:
undetectable
2qqcG-4yyfA:
9.12
2qqcJ-4yyfA:
13.61
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.
2QQC_I_AG2I672_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 7 LEU A  70
ASP A 339
LEU A 308
ARG A 296
None
0.87A 2qqcI-4yyfA:
undetectable
2qqcL-4yyfA:
undetectable
2qqcI-4yyfA:
9.12
2qqcL-4yyfA:
13.61
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.
2QQD_A_AG2A671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 7 LEU A  70
ASP A 339
LEU A 308
ARG A 296
None
0.88A 2qqdA-4yyfA:
undetectable
2qqdE-4yyfA:
undetectable
2qqdA-4yyfA:
9.04
2qqdE-4yyfA:
13.61
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.
2QQD_B_AG2B671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
5 / 8 ARG A 296
LEU A  70
ASP A 339
LEU A 308
GLY A 307
None
0.85A 2qqdB-4yyfA:
undetectable
2qqdC-4yyfA:
undetectable
2qqdB-4yyfA:
13.61
2qqdC-4yyfA:
18.58
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.
2QX4_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 8 PHE A 227
GLY A 302
GLY A 301
MET A 251
None
0.89A 2qx4A-4yyfA:
undetectable
2qx4B-4yyfA:
undetectable
2qx4A-4yyfA:
22.46
2qx4B-4yyfA:
22.46
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.
2VMY_A_FFOA505_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 294
GLY A 298
PRO A 228
GLY A 229
ARG A 259
None
0.80A 2vmyB-4yyfA:
undetectable
2vmyB-4yyfA:
23.45
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.
2VMY_B_FFOB505_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 294
GLY A 298
PRO A 228
GLY A 229
ARG A 259
None
0.69A 2vmyA-4yyfA:
undetectable
2vmyA-4yyfA:
23.45
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.
2VMY_B_FFOB505_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 294
GLY A 299
PRO A 228
GLY A 229
ARG A 259
None
1.06A 2vmyA-4yyfA:
undetectable
2vmyA-4yyfA:
23.45
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.
2VMY_B_FFOB505_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
5 / 12 LEU A 294
LEU A 247
PRO A 228
GLY A 229
ARG A 259
None
1.08A 2vmyA-4yyfA:
undetectable
2vmyA-4yyfA:
23.45
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.
3A65_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
5 / 12 ALA A 136
VAL A 125
ASP A 176
GLY A 140
ILE A 139
None
1.31A 3a65A-4yyfA:
undetectable
3a65A-4yyfA:
24.89
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.
3CPP_A_CAMA422_0
(CYTOCHROME P450-CAM)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
5 / 9 THR A  99
VAL A 123
VAL A  84
ASP A  80
VAL A  85
None
1.30A 3cppA-4yyfA:
undetectable
3cppA-4yyfA:
22.95
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.
3TNE_A_RITA401_1
(SECRETED ASPARTIC
PROTEASE)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
6 / 12 ILE A  95
GLY A 172
ILE A 112
GLY A 107
ASP A 106
ASP A 100
None
1.12A 3tneA-4yyfA:
undetectable
3tneA-4yyfA:
20.15
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.
3TNE_B_RITB401_1
(SECRETED ASPARTIC
PROTEASE)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
6 / 12 ILE A  95
GLY A 172
ILE A 112
GLY A 107
ASP A 106
ASP A 100
None
1.13A 3tneB-4yyfA:
undetectable
3tneB-4yyfA:
20.15
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.
3UNI_A_SALA1344_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 7 ARG A 355
VAL A 330
LEU A 334
ALA A 359
None
0.94A 3uniA-4yyfA:
undetectable
3uniA-4yyfA:
15.53
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.
4EK1_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
5 / 9 THR A  99
VAL A 123
VAL A  84
ASP A  80
VAL A  85
None
1.26A 4ek1B-4yyfA:
undetectable
4ek1B-4yyfA:
22.72
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.
4L4B_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 8 THR A  99
VAL A  84
ASP A  80
VAL A  85
None
0.95A 4l4bA-4yyfA:
undetectable
4l4bA-4yyfA:
22.79
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.
4L4B_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 8 THR A  99
VAL A 123
VAL A  84
VAL A  85
None
0.88A 4l4bA-4yyfA:
undetectable
4l4bA-4yyfA:
22.79
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.
4QOI_B_ML1B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
5 / 11 GLY A 302
GLY A 301
MET A 251
GLY A 306
PHE A 227
None
1.14A 4qoiA-4yyfA:
undetectable
4qoiB-4yyfA:
undetectable
4qoiA-4yyfA:
22.99
4qoiB-4yyfA:
22.99
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.
4XR4_B_AG2B511_1
(HOMOSPERMIDINE
SYNTHASE)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
3 / 3 VAL A 271
PHE A 305
ARG A 376
None
0.72A 4xr4B-4yyfA:
undetectable
4xr4B-4yyfA:
25.97
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.
5DZK_S_BEZS801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 6 SER A 286
HIS A 273
LEU A 314
LEU A 342
None
1.25A 5dzke-4yyfA:
2.4
5dzks-4yyfA:
undetectable
5dzke-4yyfA:
20.70
5dzks-4yyfA:
4.08
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.
5LBT_A_6T0A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
5 / 10 ILE A 160
PHE A 197
GLY A 129
GLY A 130
GLU A 127
ACT  A 402 ( 4.2A)
None
None
None
None
1.32A 5lbtA-4yyfA:
undetectable
5lbtB-4yyfA:
undetectable
5lbtA-4yyfA:
22.68
5lbtB-4yyfA:
22.68
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.
5M6G_A_SORA711_0
(BETA-GLUCOSIDASE)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
5 / 12 ASP A 126
PHE A 177
LYS A 225
HIS A 226
MET A 270
FMT  A 404 (-4.0A)
None
None
ACT  A 401 (-3.5A)
None
0.44A 5m6gA-4yyfA:
29.4
5m6gA-4yyfA:
23.11
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.
5Z6J_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
3 / 3 MET A  94
ASP A 313
ARG A 195
None
None
ACT  A 401 (-2.8A)
1.16A 5z6jA-4yyfA:
undetectable
5z6jA-4yyfA:
18.93
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.
5Z6K_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
3 / 3 MET A  94
ASP A 313
ARG A 195
None
None
ACT  A 401 (-2.8A)
1.10A 5z6kA-4yyfA:
undetectable
5z6kA-4yyfA:
18.93
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.
5Z84_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
3 / 3 TYR A 300
ARG A 259
THR A 260
None
0.97A 5z84J-4yyfA:
undetectable
5z84J-4yyfA:
9.17
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.
6AK3_B_P2EB1201_1
(PROSTAGLANDIN E2
RECEPTOR EP3
SUBTYPE,SOLUBLE
CYTOCHROME B562)
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacteriu
m
smegmatis)
4 / 5 PRO A 222
VAL A 267
GLY A 272
VAL A 181
None
1.00A 6ak3B-4yyfA:
undetectable
6ak3B-4yyfA:
12.83