SIMILAR PATTERNS OF AMINO ACIDS FOR 3SG8_B_TOYB305

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.
2qpx PREDICTED
METAL-DEPENDENT
HYDROLASE OF THE
TIM-BARREL FOLD

(Lactobacillus
paracasei) 		PF04909
(Amidohydro_2) 		5 ASP A 284
SER A 286
ASP A 317
HIS A 263
TYR A 367
 None
None
ZN  A 376 (-2.6A)
ZN  A 377 (-3.1A)
None
 1.37A 3sg8B-2qpxA:
0.3		 3sg8B-2qpxA:
19.30
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.
3a24 ALPHA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 ASP A 418
SER A 172
GLU A 464
GLU A 470
GLU A 174
 None
None
CA  A1268 (-2.4A)
CA  A1268 (-2.8A)
CA  A1268 (-3.0A)
 1.10A 3sg8B-3a24A:
0.0		 3sg8B-3a24A:
18.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ham AMINOGLYCOSIDE
PHOSPHOTRANSFERASE

(Enterococcus
faecium) 		PF01636
(APH) 		5 ASP A 192
SER A 194
ASP A 213
TRP A 265
TYR A 272
 LLL  A 500 (-2.8A)
LLL  A 500 (-3.3A)
LLL  A 500 (-3.5A)
LLL  A 500 (-3.8A)
LLL  A 500 ( 4.7A)
 1.49A 3sg8B-3hamA:
32.4		 3sg8B-3hamA:
34.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n4t APH(2'')-ID

(Enterococcus
casseliflavus) 		PF01636
(APH) 		8 ASN A  32
ASP A 197
SER A 199
HIS A 202
ASP A 220
GLU A 239
TRP A 271
TRP A 287
 None
 0.76A 3sg8B-3n4tA:
43.1		 3sg8B-3n4tA:
98.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n4t APH(2'')-ID

(Enterococcus
casseliflavus) 		PF01636
(APH) 		6 ASP A 197
SER A 199
ASP A 220
GLU A 239
TRP A 271
TYR A 278
 None
 1.41A 3sg8B-3n4tA:
43.1		 3sg8B-3n4tA:
98.67
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.
3wc3 ENDO-1,
4-BETA-GLUCANASE

(Eisenia fetida) 		PF00759
(Glyco_hydro_9) 		5 ASN A 434
SER A 381
HIS A 379
ASP A  77
GLU A 151
 None
 1.32A 3sg8B-3wc3A:
0.0		 3sg8B-3wc3A:
21.17
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.
5gmh TOLL-LIKE RECEPTOR 7

(Macaca mulatta) 		PF00560
(LRR_1)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 ASP A 320
SER A 257
ASP A 255
ASP A 346
TYR A 464
 None
 1.32A 3sg8B-5gmhA:
0.0		 3sg8B-5gmhA:
17.54
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.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 6 ASP A 374
SER A 376
HIS A 379
ASP A 396
GLU A 411
GLU A 416
 GNP  A 500 (-4.6A)
None
MG  A 700 ( 3.2A)
MG  A 702 ( 4.8A)
None
None
 0.57A 3sg8B-6ceyA:
31.0		 3sg8B-6ceyA:
14.38
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.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 6 ASP A 374
SER A 376
HIS A 379
ASP A 396
GLU A 411
GLU A 416
 GNP  A 500 (-4.6A)
None
MG  A 700 ( 3.2A)
MG  A 702 ( 4.8A)
None
None
 1.44A 3sg8B-6ceyA:
31.0		 3sg8B-6ceyA:
14.38