SIMILAR PATTERNS OF AMINO ACIDS FOR 2Y01_A_Y00A601_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.
1qjm LACTOFERRIN

(Equus caballus) 		PF00405
(Transferrin) 		5 VAL A 214
ASP A 297
PHE A 190
SER A  42
VAL A 209
 None
 1.39A 2y01A-1qjmA:
undetectable		 2y01A-1qjmA:
16.98
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.
1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT

(Klebsiella
oxytoca) 		PF02286
(Dehydratase_LU) 		5 VAL A 266
PHE A 338
SER A 341
PHE A  19
VAL A 309
 None
 1.43A 2y01A-1uc4A:
undetectable		 2y01A-1uc4A:
18.87
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.
3l91 ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ
SUBUNIT BETA

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		5 SER B 217
PHE B 248
PHE B 240
VAL B 272
ASN B 273
 OCA  B   1 (-2.6A)
None
OCA  B   1 (-4.7A)
None
OCA  B   1 ( 3.1A)
 1.47A 2y01A-3l91B:
undetectable		 2y01A-3l91B:
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.
3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 ASP A 110
SER A 192
PHE A 345
PHE A 346
TYR A 373
 ETQ  A1200 (-3.5A)
ETQ  A1200 (-3.3A)
ETQ  A1200 (-4.4A)
ETQ  A1200 ( 4.5A)
ETQ  A1200 (-4.4A)
 0.95A 2y01A-3pblA:
32.3		 2y01A-3pblA:
29.71
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.
3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 VAL A  87
SER A 192
PHE A 345
PHE A 346
TYR A 373
 None
ETQ  A1200 (-3.3A)
ETQ  A1200 (-4.4A)
ETQ  A1200 ( 4.5A)
ETQ  A1200 (-4.4A)
 1.30A 2y01A-3pblA:
32.3		 2y01A-3pblA:
29.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		10 TRP A 109
ASP A 113
PHE A 193
SER A 203
PHE A 289
PHE A 290
ASN A 293
ASN A 312
TRP A 313
TYR A 316
 None
ERC  A1201 (-3.7A)
ERC  A1201 (-4.4A)
ERC  A1201 (-2.8A)
ERC  A1201 (-4.5A)
ERC  A1201 (-4.8A)
ERC  A1201 (-3.5A)
ERC  A1201 (-3.0A)
ERC  A1201 (-4.4A)
None
 0.52A 2y01A-3pdsA:
38.1		 2y01A-3pdsA:
42.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		6 TRP A 109
ASP A 113
SER A 204
ASN A 312
TRP A 313
TYR A 316
 None
ERC  A1201 (-3.7A)
ERC  A1201 ( 4.1A)
ERC  A1201 (-3.0A)
ERC  A1201 (-4.4A)
None
 1.25A 2y01A-3pdsA:
38.1		 2y01A-3pdsA:
42.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		7 TRP A 109
ASP A 113
SER A 207
PHE A 289
ASN A 312
TRP A 313
TYR A 316
 None
ERC  A1201 (-3.7A)
ERC  A1201 (-2.7A)
ERC  A1201 (-4.5A)
ERC  A1201 (-3.0A)
ERC  A1201 (-4.4A)
None
 1.28A 2y01A-3pdsA:
38.1		 2y01A-3pdsA:
42.70
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.
4d1i BETA-GALACTOSIDASE,
PUTATIVE, BGL35A

(Cellvibrio
japonicus) 		PF02449
(Glyco_hydro_42) 		5 PHE A 374
ASN A 135
VAL A 282
ASN A 281
TYR A 279
 None
 1.30A 2y01A-4d1iA:
undetectable		 2y01A-4d1iA:
18.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gbr BETA-2 ADRENERGIC
RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		9 TRP A 109
ASP A 113
PHE A 193
PHE A 261
PHE A 262
ASN A 265
ASN A 284
TRP A 285
TYR A 288
 None
CAU  A 500 (-3.0A)
CAU  A 500 (-4.5A)
CAU  A 500 (-4.2A)
CAU  A 500 (-4.6A)
CAU  A 500 (-3.4A)
CAU  A 500 (-3.3A)
None
CAU  A 500 (-4.6A)
 0.72A 2y01A-4gbrA:
38.8		 2y01A-4gbrA:
58.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gbr BETA-2 ADRENERGIC
RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		9 TRP A 109
ASP A 113
PHE A 193
SER A 203
PHE A 261
PHE A 262
ASN A 284
TRP A 285
TYR A 288
 None
CAU  A 500 (-3.0A)
CAU  A 500 (-4.5A)
CAU  A 500 (-3.3A)
CAU  A 500 (-4.2A)
CAU  A 500 (-4.6A)
CAU  A 500 (-3.3A)
None
CAU  A 500 (-4.6A)
 0.84A 2y01A-4gbrA:
38.8		 2y01A-4gbrA:
58.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gbr BETA-2 ADRENERGIC
RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		5 TRP A 109
ASP A 113
SER A 207
PHE A 262
TYR A 288
 None
CAU  A 500 (-3.0A)
CAU  A 500 (-4.1A)
CAU  A 500 (-4.6A)
CAU  A 500 (-4.6A)
 1.19A 2y01A-4gbrA:
38.8		 2y01A-4gbrA:
58.02
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.
4ib4 CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		7 TRP A 131
ASP A 135
PHE A 340
PHE A 341
ASN A 344
TRP A 367
TYR A 370
 None
ERM  A2001 (-3.2A)
ERM  A2001 (-4.3A)
None
ERM  A2001 (-4.3A)
None
ERM  A2001 ( 4.8A)
 0.63A 2y01A-4ib4A:
27.7		 2y01A-4ib4A:
28.44
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.
4ib4 CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		5 TRP A 131
ASP A 135
SER A 222
TRP A 367
TYR A 370
 None
ERM  A2001 (-3.2A)
ERM  A2001 ( 4.6A)
None
ERM  A2001 ( 4.8A)
 1.28A 2y01A-4ib4A:
27.7		 2y01A-4ib4A:
28.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		10 TRP A1109
ASP A1113
PHE A1193
SER A1203
PHE A1289
PHE A1290
ASN A1293
ASN A1312
TRP A1313
TYR A1316
 None
P0G  A1401 (-2.9A)
P0G  A1401 (-3.8A)
P0G  A1401 (-2.9A)
P0G  A1401 ( 4.7A)
P0G  A1401 ( 4.9A)
P0G  A1401 (-3.0A)
P0G  A1401 (-2.9A)
1WV  A1403 ( 4.3A)
None
 0.77A 2y01A-4ldeA:
32.7		 2y01A-4ldeA:
42.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 TRP A1109
ASP A1113
SER A1207
PHE A1289
ASN A1312
 None
P0G  A1401 (-2.9A)
P0G  A1401 (-2.8A)
P0G  A1401 ( 4.7A)
P0G  A1401 (-2.9A)
 1.26A 2y01A-4ldeA:
32.7		 2y01A-4ldeA:
42.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8u BETA-1 ADRENERGIC
RECEPTOR

(Meleagris
gallopavo) 		no annotation 11 TRP B 117
ASP B 121
PHE B 201
SER B 211
PHE B 306
PHE B 307
ASN B 310
VAL B 326
ASN B 329
TRP B 330
TYR B 333
 P32  B 400 (-4.8A)
P32  B 400 (-2.2A)
P32  B 400 (-4.0A)
P32  B 400 (-2.7A)
P32  B 400 (-4.1A)
P32  B 400 (-4.9A)
P32  B 400 (-3.5A)
None
P32  B 400 (-2.9A)
None
P32  B 400 (-4.6A)
 0.55A 2y01A-5f8uB:
39.6		 2y01A-5f8uB:
99.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8u BETA-1 ADRENERGIC
RECEPTOR

(Meleagris
gallopavo) 		no annotation 11 VAL B 102
TRP B 117
ASP B 121
PHE B 201
SER B 211
PHE B 306
PHE B 307
ASN B 310
ASN B 329
TRP B 330
TYR B 333
 None
P32  B 400 (-4.8A)
P32  B 400 (-2.2A)
P32  B 400 (-4.0A)
P32  B 400 (-2.7A)
P32  B 400 (-4.1A)
P32  B 400 (-4.9A)
P32  B 400 (-3.5A)
P32  B 400 (-2.9A)
None
P32  B 400 (-4.6A)
 0.61A 2y01A-5f8uB:
39.6		 2y01A-5f8uB:
99.37
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.
5fno MANGANESE
LIPOXYGENASE

(Magnaporthe
oryzae) 		PF00305
(Lipoxygenase) 		5 ASP A 209
PHE A 272
PHE A 181
VAL A 249
ASN A 248
 None
 1.32A 2y01A-5fnoA:
undetectable		 2y01A-5fnoA:
20.33
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.
5i68 ALCOHOL OXIDASE 1

(Komagataella
pastoris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 VAL A 150
ASN A  58
ASN A  97
TRP A 193
TYR A 618
 None
None
FAD  A 702 (-4.9A)
None
None
 0.98A 2y01A-5i68A:
undetectable		 2y01A-5i68A:
19.04
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 5 VAL 1 678
PHE 1 742
SER 1 610
VAL 1 737
TYR 1 599
 BCR  1 856 (-4.9A)
CLA  1 801 (-3.4A)
None
BCR  1 856 (-3.7A)
CLA  1 801 (-4.5A)
 1.25A 2y01A-5oy01:
undetectable		 2y01A-5oy01:
15.02
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.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 7 TRP A 125
ASP A 129
SER A 212
PHE A 330
PHE A 331
TRP A 356
TYR A 359
 None
89F  A1201 (-3.3A)
89F  A1201 ( 3.8A)
89F  A1201 (-4.1A)
89F  A1201 (-4.6A)
None
None
 0.94A 2y01A-5v54A:
28.7		 2y01A-5v54A:
14.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wiv D(4) DOPAMINE
RECEPTOR, SOLUBLE
CYTOCHROME B562
CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 ASP A 115
SER A 196
PHE A 410
PHE A 411
VAL A 430
 AQD  A1201 (-3.3A)
AQD  A1201 (-2.8A)
AQD  A1201 (-4.7A)
AQD  A1201 (-4.6A)
None
 1.42A 2y01A-5wivA:
29.7		 2y01A-5wivA:
32.39
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.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 7 TRP A 130
ASP A 134
PHE A 327
PHE A 328
ASN A 331
TRP A 355
TYR A 358
 None
E2J  A1201 (-3.0A)
E2J  A1201 (-4.6A)
E2J  A1201 (-4.4A)
None
None
None
 0.68A 2y01A-6bqhA:
31.1		 2y01A-6bqhA:
14.29
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.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 7 TRP A 130
ASP A 134
SER A 219
PHE A 327
ASN A 331
TRP A 355
TYR A 358
 None
E2J  A1201 (-3.0A)
E2J  A1201 (-3.2A)
E2J  A1201 (-4.6A)
None
None
None
 1.17A 2y01A-6bqhA:
31.1		 2y01A-6bqhA:
14.29
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.
6g79 5-HYDROXYTRYPTAMINE
RECEPTOR 1B

(Homo sapiens) 		no annotation 7 TRP S 125
ASP S 129
SER S 212
PHE S 330
PHE S 331
TRP S 356
TYR S 359
 None
EP5  S 401 (-3.3A)
EP5  S 401 (-3.3A)
EP5  S 401 (-4.0A)
EP5  S 401 (-4.7A)
None
EP5  S 401 ( 4.9A)
 1.06A 2y01A-6g79S:
28.2		 2y01A-6g79S:
14.22