SIMILAR PATTERNS OF AMINO ACIDS FOR 2W4X_A_STZA1591_1

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. 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.
1uaq CYTOSINE DEAMINASE

(Saccharomyces
cerevisiae) 		PF00383
(dCMP_cyt_deam_1) 		5 CYH A  36
TYR A  85
THR A  83
ASN A  40
ASN A  39
 None
 1.38A 2w4xA-1uaqA:
undetectable		 2w4xA-1uaqA:
12.75
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.
2fl1 RED FLUORESCENT
PROTEIN ZOANRFP

(Zoanthus sp.) 		PF01353
(GFP) 		5 CYH A 179
TYR A 177
VAL A 137
VAL A  22
ASP A  23
 None
 1.45A 2w4xA-2fl1A:
undetectable		 2w4xA-2fl1A:
15.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2j4g HYALURONOGLUCOSAMINI
DASE

(Bacteroides
thetaiotaomicron) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		7 ASP A 242
CYH A 278
TYR A 282
THR A 310
VAL A 314
ASN A 339
TYR A 345
 NB1  A1590 (-3.7A)
NB1  A1590 (-3.4A)
NB1  A1590 (-3.8A)
NB1  A1590 (-3.9A)
None
NB1  A1590 (-3.6A)
NB1  A1590 ( 4.8A)
 0.71A 2w4xA-2j4gA:
59.3		 2w4xA-2j4gA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2j4g HYALURONOGLUCOSAMINI
DASE

(Bacteroides
thetaiotaomicron) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		10 CYH A 278
TYR A 282
THR A 310
VAL A 314
TRP A 337
ASN A 339
VAL A 342
ASP A 344
TYR A 345
ASN A 372
 NB1  A1590 (-3.4A)
NB1  A1590 (-3.8A)
NB1  A1590 (-3.9A)
None
NB1  A1590 (-3.7A)
NB1  A1590 (-3.6A)
NB1  A1590 ( 4.9A)
NB1  A1590 ( 3.0A)
NB1  A1590 ( 4.8A)
NB1  A1590 (-3.4A)
 0.45A 2w4xA-2j4gA:
59.3		 2w4xA-2j4gA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2v5d O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		9 TYR A 335
THR A 366
VAL A 370
TRP A 394
ASN A 396
VAL A 399
ASP A 401
TYR A 402
ASN A 429
 None
 0.52A 2w4xA-2v5dA:
46.4		 2w4xA-2v5dA:
33.68
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.
2xsb HYALURONOGLUCOSAMINI
DASE

(Oceanicola
granulosus) 		PF07555
(NAGidase) 		9 ASP A 115
CYH A 156
TYR A 160
THR A 191
TRP A 219
ASN A 221
ASP A 226
TYR A 227
ASN A 254
 None
GDL  A1436 ( 3.9A)
GDL  A1436 (-3.6A)
GDL  A1436 ( 4.5A)
GDL  A1436 (-3.6A)
GDL  A1436 (-3.0A)
GDL  A1436 (-3.0A)
GDL  A1436 (-4.8A)
GDL  A1436 (-3.4A)
 0.49A 2w4xA-2xsbA:
31.3		 2w4xA-2xsbA:
23.63
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.
2z2f LYSOZYME C-2

(Bos taurus) 		PF00062
(Lys) 		5 ASP A 117
VAL A 120
TRP A 111
ASN A  27
VAL A  23
 None
 1.36A 2w4xA-2z2fA:
undetectable		 2w4xA-2z2fA:
12.18
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.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		5 ASP A 477
TYR A 916
ASN A 862
VAL A 591
TYR A 658
 None
 1.25A 2w4xA-3aibA:
5.4		 2w4xA-3aibA:
22.92
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.
3nz4 PHENYLALANINE
AMMONIA-LYASE

(Taxus
canadensis) 		PF00221
(Lyase_aromatic) 		5 THR A 141
VAL A  29
ASN A 138
VAL A 349
ASN A 350
 None
 1.46A 2w4xA-3nz4A:
undetectable		 2w4xA-3nz4A:
22.35
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.
4kca ENDO-1,5-ALPHA-L-ARA
BINANASE

(Bos taurus) 		PF00085
(Thioredoxin)
PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 CYH A 231
TYR A 233
VAL A 263
VAL A 185
TYR A 344
 None
 1.32A 2w4xA-4kcaA:
undetectable		 2w4xA-4kcaA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4phs PUTATIVE
GLYCOSYLTRANSFERASE
(GALT1)

(Streptococcus
parasanguinis) 		PF08759
(GT-D) 		5 ASP A 181
TYR A 180
THR A 203
VAL A 206
ASN A  48
 None
 1.33A 2w4xA-4phsA:
undetectable		 2w4xA-4phsA:
17.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zxl O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		7 ASP A 297
TYR A 335
THR A 366
VAL A 370
ASN A 396
ASP A 401
TYR A 402
 None
 0.71A 2w4xA-4zxlA:
48.3		 2w4xA-4zxlA:
31.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zxl O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		9 TYR A 335
THR A 366
VAL A 370
TRP A 394
ASN A 396
VAL A 399
ASP A 401
TYR A 402
ASN A 429
 None
 0.31A 2w4xA-4zxlA:
48.3		 2w4xA-4zxlA:
31.76
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.
5diy HYALURONIDASE

(Thermobaculum
terrenum) 		PF07555
(NAGidase) 		8 ASP A 119
CYH A 164
TYR A 168
THR A 193
VAL A 197
ASN A 223
ASP A 228
ASN A 257
 None
 0.69A 2w4xA-5diyA:
36.0		 2w4xA-5diyA:
28.00
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.
5diy HYALURONIDASE

(Thermobaculum
terrenum) 		PF07555
(NAGidase) 		9 CYH A 164
TYR A 168
THR A 193
VAL A 197
TRP A 221
ASN A 223
VAL A 226
ASP A 228
ASN A 257
 None
 0.43A 2w4xA-5diyA:
36.0		 2w4xA-5diyA:
28.00
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.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		7 ASP A 174
CYH A 215
TYR A 219
THR A 250
VAL A 254
ASP A 285
TYR A 286
 None
 0.83A 2w4xA-5m7rA:
31.9		 2w4xA-5m7rA:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		9 CYH A 215
TYR A 219
THR A 250
VAL A 254
TRP A 278
ASN A 280
ASP A 285
TYR A 286
ASN A 313
 None
 0.43A 2w4xA-5m7rA:
31.9		 2w4xA-5m7rA:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uhk O-GLCNACASE
TIM-BARREL DOMAIN

(Homo sapiens) 		PF07555
(NAGidase) 		10 ASP A 174
CYH A 215
TYR A 219
THR A 250
VAL A 254
TRP A 278
ASN A 280
ASP A 285
TYR A 286
ASN A 313
 GOL  A 501 (-3.1A)
GOL  A 501 ( 4.0A)
GOL  A 501 (-3.3A)
GOL  A 501 (-4.4A)
None
GOL  A 501 (-3.6A)
GOL  A 501 (-3.4A)
GOL  A 502 (-2.9A)
None
GOL  A 502 (-3.4A)
 0.55A 2w4xA-5uhkA:
35.0		 2w4xA-5uhkA:
21.19
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.
5uhp O-GLCNACASE
TIM-BARREL DOMAIN

(Homo sapiens) 		PF07555
(NAGidase) 		10 ASP A 174
CYH A 215
TYR A 219
THR A 250
VAL A 254
TRP A 278
ASN A 280
ASP A 285
TYR A 286
ASN A 313
 GOL  A 501 (-2.5A)
GOL  A 501 ( 3.9A)
GOL  A 501 (-3.7A)
GOL  A 501 (-4.2A)
GOL  A 501 (-4.2A)
GOL  A 501 (-3.8A)
GOL  A 501 (-3.4A)
None
None
None
 0.57A 2w4xA-5uhpA:
34.3		 2w4xA-5uhpA:
22.18
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.
5vvo PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		6 ASP A 174
CYH A 215
TYR A 219
THR A 250
VAL A 254
TYR A 286
 None
 0.87A 2w4xA-5vvoA:
31.7		 2w4xA-5vvoA:
23.95
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.
5vvo PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		9 CYH A 215
TYR A 219
THR A 250
VAL A 254
TRP A 278
ASN A 280
ASP A 285
TYR A 286
ASN A 313
 None
 0.42A 2w4xA-5vvoA:
31.7		 2w4xA-5vvoA:
23.95