SIMILAR PATTERNS OF AMINO ACIDS FOR 3SG8_A_TOYA305_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.
2cfm THERMOSTABLE DNA
LIGASE

(Pyrococcus
furiosus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 ASP A 429
ASP A 533
ASP A 540
GLU A 398
GLU A 299
 None
None
None
MG  A1562 ( 3.9A)
AMP  A1563 ( 3.0A)
 1.16A 3sg8A-2cfmA:
0.8		 3sg8A-2cfmA:
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.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		5 ASN A 232
ASP A 326
HIS A  81
GLU A 241
GLU A 237
 None
GUN  A 600 ( 2.5A)
ZN  A 500 ( 3.3A)
None
GUN  A 600 (-2.8A)
 1.40A 3sg8A-2oodA:
0.0		 3sg8A-2oodA:
22.13
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.
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
 1.35A 3sg8A-2qpxA:
0.0		 3sg8A-2qpxA:
19.30
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 3sg8A-3hamA:
32.7		 3sg8A-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
 0.79A 3sg8A-3n4tA:
42.6		 3sg8A-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) 		5 ASP A 197
SER A 199
HIS A 202
GLU A 238
GLU A 239
 None
 0.75A 3sg8A-3n4tA:
42.6		 3sg8A-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.
4aie GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Lactobacillus
acidophilus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ASN A  60
SER A 375
ASP A 316
TYR A  14
TRP A 424
 None
None
GOL  A1548 (-3.5A)
None
None
 1.34A 3sg8A-4aieA:
1.5		 3sg8A-4aieA:
20.18
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.
4hoz SUCROSE ISOMERASE

(Erwinia
rhapontici) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ASN A 103
SER A 455
ASP A 369
TYR A  57
TRP A 479
 None
None
GLC  A 703 ( 2.8A)
None
None
 1.28A 3sg8A-4hozA:
2.8		 3sg8A-4hozA:
19.51
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.
4xb3 GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Streptococcus
mutans) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ASN A  61
SER A 372
ASP A 313
TYR A  15
TRP A 422
 None
 1.29A 3sg8A-4xb3A:
2.4		 3sg8A-4xb3A:
19.17
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.
4zg7 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2

(Homo sapiens) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		5 ASN A 231
ASP A 312
ASP A 474
HIS A 316
ASP A 172
 NKN  A 909 ( 3.2A)
ZN  A 903 ( 2.0A)
None
ZN  A 903 ( 3.2A)
ZN  A 904 ( 2.2A)
 1.37A 3sg8A-4zg7A:
0.0		 3sg8A-4zg7A:
16.79
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.
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
 1.29A 3sg8A-5gmhA:
undetectable		 3sg8A-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
 0.43A 3sg8A-6ceyA:
30.7		 3sg8A-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
GLU A 411
GLU A 415
GLU A 416
 GNP  A 500 (-4.6A)
None
MG  A 700 ( 3.2A)
None
None
None
 0.70A 3sg8A-6ceyA:
30.7		 3sg8A-6ceyA:
14.38