SIMILAR PATTERNS OF AMINO ACIDS FOR 5ERM_A_210A401_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.
1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE

(Salvia
officinalis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		6 ASP A 351
ASP A 355
ARG A 493
VAL A 452
GLU A 504
ARG A 314
 MG  A 703 (-2.4A)
MG  A 703 (-2.7A)
3AG  A 900 (-2.5A)
3AG  A 900 ( 4.8A)
MG  A 702 ( 2.6A)
3AG  A 900 (-3.0A)
 1.17A 5ermA-1n21A:
8.9		 5ermA-1n21A:
22.65
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.
1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE

(Salvia
officinalis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ASP A 509
ARG A 493
VAL A 452
GLU A 504
ARG A 314
 MG  A 701 ( 4.4A)
3AG  A 900 (-2.5A)
3AG  A 900 ( 4.8A)
MG  A 702 ( 2.6A)
3AG  A 900 (-3.0A)
 1.36A 5ermA-1n21A:
8.9		 5ermA-1n21A:
22.65
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.
1yyr TRICHODIENE SYNTHASE

(Fusarium
sporotrichioides) 		PF06330
(TRI5) 		5 ARG A 182
ASN A 225
SER A 229
LYS A 232
ARG A 304
 SAZ  A 709 ( 3.8A)
SAZ  A 709 (-3.3A)
None
None
SAZ  A 709 ( 4.5A)
 0.84A 5ermA-1yyrA:
6.4		 5ermA-1yyrA:
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.
1yyr TRICHODIENE SYNTHASE

(Fusarium
sporotrichioides) 		PF06330
(TRI5) 		5 ASN A 225
SER A 229
LYS A 232
GLU A 233
ARG A 304
 SAZ  A 709 (-3.3A)
None
None
None
SAZ  A 709 ( 4.5A)
 0.79A 5ermA-1yyrA:
6.4		 5ermA-1yyrA:
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.
1yyr TRICHODIENE SYNTHASE

(Fusarium
sporotrichioides) 		PF06330
(TRI5) 		5 ASP A 239
ARG A 182
ASN A 225
SER A 229
LYS A 232
 None
SAZ  A 709 ( 3.8A)
SAZ  A 709 (-3.3A)
None
None
 1.21A 5ermA-1yyrA:
6.4		 5ermA-1yyrA:
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.
3lg5 EPI-ISOZIZAENE
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 8 ASP A  99
ARG A 194
ASN A 240
SER A 244
LYS A 247
GLU A 248
ARG A 338
TYR A 339
 MG  A 701 (-2.5A)
POP  A 703 (-2.8A)
MG  A 702 (-2.6A)
MG  A 702 ( 2.3A)
POP  A 703 (-2.8A)
MG  A 702 ( 2.6A)
POP  A 703 (-4.0A)
POP  A 703 ( 4.4A)
 0.57A 5ermA-3lg5A:
6.1		 5ermA-3lg5A:
26.59
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.
3p5p TAXADIENE SYNTHASE

(Taxus
brevifolia) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ASP A 613
ARG A 754
VAL A 714
ASN A 757
GLU A 765
 A3C  A 911 ( 3.8A)
A3C  A 911 (-3.4A)
A3C  A 911 (-4.8A)
MG  A 901 ( 2.7A)
MG  A 901 ( 2.6A)
 0.83A 5ermA-3p5pA:
10.2		 5ermA-3p5pA:
18.37
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.
3v1v 2-METHYLISOBORNEOL
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 6 ARG A 300
ASN A 345
SER A 349
GLU A 353
ARG A 433
TYR A 434
 GST  A 511 (-3.4A)
MG  A 501 ( 2.7A)
MG  A 501 ( 2.3A)
MG  A 501 ( 2.6A)
GST  A 511 (-3.9A)
GST  A 511 (-4.6A)
 0.66A 5ermA-3v1vA:
6.3		 5ermA-3v1vA:
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.
3v1v 2-METHYLISOBORNEOL
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 6 ASN A 345
SER A 349
LYS A 352
GLU A 353
ARG A 433
TYR A 434
 MG  A 501 ( 2.7A)
MG  A 501 ( 2.3A)
GST  A 511 (-3.1A)
MG  A 501 ( 2.6A)
GST  A 511 (-3.9A)
GST  A 511 (-4.6A)
 0.68A 5ermA-3v1vA:
6.3		 5ermA-3v1vA:
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.
3v1v 2-METHYLISOBORNEOL
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 5 ASP A 197
ARG A 300
ASN A 345
ARG A 433
TYR A 434
 MG  A 502 ( 3.7A)
GST  A 511 (-3.4A)
MG  A 501 ( 2.7A)
GST  A 511 (-3.9A)
GST  A 511 (-4.6A)
 1.41A 5ermA-3v1vA:
6.3		 5ermA-3v1vA:
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.
4okm TERPENE SYNTHASE
METAL-BINDING
DOMAIN-CONTAINING
PROTEIN

(Streptomyces
pristinaespiralis) 		no annotation 7 ARG A 178
ASN A 224
SER A 228
LYS A 231
GLU A 232
ARG A 310
TYR A 311
 PPV  A 904 (-2.9A)
MG  A 903 ( 2.7A)
MG  A 903 ( 2.3A)
PPV  A 904 (-2.8A)
MG  A 903 ( 2.7A)
PPV  A 904 (-3.9A)
PPV  A 904 (-4.4A)
 0.50A 5ermA-4okmA:
23.8		 5ermA-4okmA:
22.25
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.
4okm TERPENE SYNTHASE
METAL-BINDING
DOMAIN-CONTAINING
PROTEIN

(Streptomyces
pristinaespiralis) 		no annotation 5 ASP A  82
ARG A 178
ASN A 224
ARG A 310
TYR A 311
 MG  A 902 ( 2.5A)
PPV  A 904 (-2.9A)
MG  A 903 ( 2.7A)
PPV  A 904 (-3.9A)
PPV  A 904 (-4.4A)
 1.45A 5ermA-4okmA:
23.8		 5ermA-4okmA:
22.25
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.
4qlb PROBABLE GLYCOGEN
[STARCH] SYNTHASE

(Caenorhabditis
elegans) 		PF05693
(Glycogen_syn) 		5 ASP A 339
ASP A 337
ARG A 327
ASN A 323
TYR A 343
 None
 1.44A 5ermA-4qlbA:
undetectable		 5ermA-4qlbA:
19.67
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.
5a0k LABDANE-RELATED
DITERPENE SYNTHASE

(Streptomyces
sp.) 		no annotation 6 ARG A 184
VAL A 188
ASN A 230
SER A 234
ARG A 316
TYR A 317
 MG  A1323 (-4.0A)
None
MG  A1323 (-3.5A)
MG  A1323 (-3.4A)
None
None
 0.67A 5ermA-5a0kA:
22.2		 5ermA-5a0kA:
20.97
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.
5a0k LABDANE-RELATED
DITERPENE SYNTHASE

(Streptomyces
sp.) 		no annotation 5 ASP A  90
ARG A 184
ASN A 230
ARG A 316
TYR A 317
 MG  A1321 (-3.3A)
MG  A1323 (-4.0A)
MG  A1323 (-3.5A)
None
None
 1.19A 5ermA-5a0kA:
22.2		 5ermA-5a0kA:
20.97
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.
5dz2 GERMACRADIENOL/GEOSM
IN SYNTHASE

(Streptomyces
coelicolor) 		no annotation 6 ASP A  86
ARG A 184
ASN A 229
SER A 233
GLU A 237
ARG A 325
 MG  A 401 (-2.5A)
212  A 404 (-3.6A)
MG  A 402 ( 2.6A)
MG  A 402 ( 2.5A)
MG  A 402 ( 2.7A)
212  A 404 (-4.0A)
 0.71A 5ermA-5dz2A:
23.0		 5ermA-5dz2A:
21.71
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.
5dz2 GERMACRADIENOL/GEOSM
IN SYNTHASE

(Streptomyces
coelicolor) 		no annotation 6 ASP A  86
ASN A 229
SER A 233
GLU A 237
ARG A 325
TYR A 326
 MG  A 401 (-2.5A)
MG  A 402 ( 2.6A)
MG  A 402 ( 2.5A)
MG  A 402 ( 2.7A)
212  A 404 (-4.0A)
212  A 404 (-4.3A)
 0.52A 5ermA-5dz2A:
23.0		 5ermA-5dz2A:
21.71
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.
5in8 ARISTOLOCHENE
SYNTHASE

(Aspergillus
terreus) 		no annotation 8 ARG A 169
VAL A 173
ASN A 213
SER A 217
LYS A 220
GLU A 221
ARG A 308
TYR A 309
 MG  A 403 ( 4.2A)
None
MG  A 403 ( 2.8A)
MG  A 403 ( 2.4A)
PO4  A 404 (-2.8A)
MG  A 403 ( 2.8A)
PO4  A 404 (-3.9A)
PO4  A 404 (-4.4A)
 0.61A 5ermA-5in8A:
26.3		 5ermA-5in8A:
27.50
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.
5nx7 PENTALENENE SYNTHASE

(Streptomyces
clavuligerus) 		no annotation 8 ASP A  81
ARG A 174
ASN A 220
SER A 224
LYS A 227
GLU A 228
ARG A 314
TYR A 315
 MG  A 404 (-2.6A)
0FV  A 400 ( 3.0A)
0FV  A 400 (-2.7A)
MG  A 402 (-2.2A)
0FV  A 400 ( 2.5A)
MG  A 402 (-2.6A)
LA6  A 401 ( 3.8A)
0FV  A 400 ( 4.4A)
 0.56A 5ermA-5nx7A:
22.5		 5ermA-5nx7A:
23.12
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.
5nx7 PENTALENENE SYNTHASE

(Streptomyces
clavuligerus) 		no annotation 5 ASP A  81
ARG A 174
ASN A 220
SER A 224
TYR A 315
 MG  A 404 (-2.6A)
0FV  A 400 ( 3.0A)
0FV  A 400 (-2.7A)
MG  A 402 (-2.2A)
0FV  A 400 ( 4.4A)
 1.23A 5ermA-5nx7A:
22.5		 5ermA-5nx7A:
23.12
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.
5nx7 PENTALENENE SYNTHASE

(Streptomyces
clavuligerus) 		no annotation 5 ASP A  81
ASP A  85
LYS A 227
ARG A 314
TYR A 315
 MG  A 404 (-2.6A)
MG  A 403 ( 4.6A)
0FV  A 400 ( 2.5A)
LA6  A 401 ( 3.8A)
0FV  A 400 ( 4.4A)
 0.88A 5ermA-5nx7A:
22.5		 5ermA-5nx7A:
23.12
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.
5nx7 PENTALENENE SYNTHASE

(Streptomyces
clavuligerus) 		no annotation 6 ASP A 233
ARG A 174
ASN A 220
SER A 224
LYS A 227
TYR A 315
 None
0FV  A 400 ( 3.0A)
0FV  A 400 (-2.7A)
MG  A 402 (-2.2A)
0FV  A 400 ( 2.5A)
0FV  A 400 ( 4.4A)
 1.19A 5ermA-5nx7A:
22.5		 5ermA-5nx7A:
23.12
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.
5veo ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5

(Mus musculus) 		PF01663
(Phosphodiest) 		5 ASP A 200
VAL A 197
LYS A  45
ARG A  39
TYR A  42
 None
 1.46A 5ermA-5veoA:
undetectable		 5ermA-5veoA:
21.93