SIMILAR PATTERNS OF AMINO ACIDS FOR 1XVA_B_SAMB293_0

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		6 ALA A  64
ASP A  70
ASN A 138
ARG A 175
TYR A 194
TYR A 283
 None
None
None
BME  A1282 (-4.3A)
None
None
 1.16A 1xvaB-1r8yA:
42.1		 1xvaB-1r8yA:
95.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		5 ALA A  64
HIS A 142
TYR A 193
ILE A 202
TYR A 220
 None
 1.33A 1xvaB-1r8yA:
42.1		 1xvaB-1r8yA:
95.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		5 ASN A 138
HIS A 142
TYR A  33
TYR A 242
TYR A 283
 None
 0.98A 1xvaB-1r8yA:
42.1		 1xvaB-1r8yA:
95.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		5 ASP A  62
ASN A 138
HIS A 142
TYR A  33
TYR A 242
 None
 1.23A 1xvaB-1r8yA:
42.1		 1xvaB-1r8yA:
95.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		5 ASP A  62
ASN A 138
SER A 139
HIS A 142
TYR A 242
 None
 1.23A 1xvaB-1r8yA:
42.1		 1xvaB-1r8yA:
95.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		11 TYR A  33
ALA A  64
ASP A  70
ASN A 138
SER A 139
HIS A 142
TYR A 194
ILE A 202
TYR A 220
TYR A 242
TYR A 283
 None
 0.65A 1xvaB-1r8yA:
42.1		 1xvaB-1r8yA:
95.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		5 TYR A 220
ASN A 138
SER A 139
HIS A 142
TYR A 283
 None
 0.80A 1xvaB-1r8yA:
42.1		 1xvaB-1r8yA:
95.55
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.
1w93 ACETYL-COENZYME A
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ASN A 495
HIS A 152
ILE A 110
TYR A 109
TYR A 128
 None
 1.22A 1xvaB-1w93A:
0.8		 1xvaB-1w93A:
20.76
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.
2j1q ARGININE KINASE

(Trypanosoma
cruzi) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 ALA A 197
ASP A 192
SER A  56
ILE A  86
TYR A  75
 None
 1.29A 1xvaB-2j1qA:
0.0		 1xvaB-2j1qA:
22.67
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.
3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 ALA A 255
ASP A 241
ARG A 266
TYR A 199
ILE A 216
 None
 1.44A 1xvaB-3cavA:
0.0		 1xvaB-3cavA:
21.73
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.
3ebl GIBBERELLIN RECEPTOR
GID1

(Oryza sativa) 		PF07859
(Abhydrolase_3) 		5 TYR A  31
SER A 128
HIS A 120
ILE A  24
TYR A 134
 MPD  A 501 ( 4.9A)
None
None
GA4  A 401 (-4.2A)
GA4  A 401 (-4.8A)
 1.31A 1xvaB-3eblA:
2.7		 1xvaB-3eblA:
22.37
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.
3foa TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N) 		5 ALA A  96
ASP A 190
ASN A  91
SER A  93
ILE A 198
 None
 1.43A 1xvaB-3foaA:
2.2		 1xvaB-3foaA:
20.56
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.
3j2n TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		5 ALA U  96
ASP U 190
ASN U  91
SER U  93
ILE U 198
 None
 1.43A 1xvaB-3j2nU:
2.8		 1xvaB-3j2nU:
18.78
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.
3khy PROPIONATE KINASE

(Francisella
tularensis) 		PF00871
(Acetate_kinase) 		5 ALA A 139
ASN A   8
HIS A 121
ILE A  35
TYR A  59
 None
 1.50A 1xvaB-3khyA:
0.3		 1xvaB-3khyA:
23.93
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.
3nwa ENVELOPE
GLYCOPROTEIN B

(Human
alphaherpesvirus
1) 		no annotation 5 ALA B 390
SER B 388
ARG B 377
TYR B 429
TYR B 452
 None
 1.23A 1xvaB-3nwaB:
undetectable		 1xvaB-3nwaB:
16.91
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.
3t5v NUCLEAR MRNA EXPORT
PROTEIN THP1

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		5 ALA B 103
ASP B 101
ASN B  96
ARG B 151
ILE B 145
 None
 1.16A 1xvaB-3t5vB:
undetectable		 1xvaB-3t5vB:
17.93
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.
3vpx LEUCINE
DEHYDROGENASE

(Sporosarcina
psychrophila) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 TYR A 280
ALA A  72
ASN A 287
SER A 288
ILE A 242
 None
 1.39A 1xvaB-3vpxA:
4.8		 1xvaB-3vpxA:
21.04
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.
3zif PENTON PROTEIN

(Bovine
mastadenovirus
B) 		PF01686
(Adeno_Penton_B) 		5 TYR M 314
ALA M 289
ARG M 297
TYR M 220
ILE M 195
 None
 1.50A 1xvaB-3zifM:
undetectable		 1xvaB-3zifM:
20.77
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.
4a05 CELLOBIOHYDROLASE
FAMILY 6

(Chaetomium
thermophilum) 		PF01341
(Glyco_hydro_6) 		5 TYR A 348
ASP A 431
ASN A 333
HIS A 297
ILE A 342
 None
None
None
CTT  A 503 (-4.1A)
None
 1.34A 1xvaB-4a05A:
undetectable		 1xvaB-4a05A:
23.04
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.
4au0 EXOGLUCANASE 2

(Trichoderma
reesei) 		PF01341
(Glyco_hydro_6) 		5 TYR A 317
ASP A 401
ASN A 302
HIS A 266
ILE A 311
 None
None
None
BGC  A 601 (-4.0A)
None
 1.41A 1xvaB-4au0A:
undetectable		 1xvaB-4au0A:
21.49
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.
4bom ENVELOPE
GLYCOPROTEIN B

(Human
alphaherpesvirus
1) 		PF00606
(Glycoprotein_B)
PF17416
(Glycoprot_B_PH1)
PF17417
(Glycoprot_B_PH2) 		5 ALA A 390
ASP A 373
SER A 388
ARG A 377
TYR A 452
 None
 1.35A 1xvaB-4bomA:
undetectable		 1xvaB-4bomA:
18.83
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.
4bqn CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN

(Burkholderia
pseudomallei) 		no annotation 5 TYR A 120
ALA A  18
ASP A 232
TYR A 197
TYR A  97
 None
None
None
None
COA  A 320 (-3.6A)
 1.28A 1xvaB-4bqnA:
undetectable		 1xvaB-4bqnA:
21.88
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.
4hou INTERFERON-INDUCED
PROTEIN WITH
TETRATRICOPEPTIDE
REPEATS 1

(Homo sapiens) 		PF13181
(TPR_8)
PF13424
(TPR_12) 		5 ALA A 160
SER A 184
TYR A  50
TYR A 256
TYR A 186
 None
 1.42A 1xvaB-4houA:
undetectable		 1xvaB-4houA:
23.15
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.
4i5u CHIMERIC CEL6A

(Humicola
insolens;
Trichoderma
reesei;
Chaetomium
thermophilum) 		PF01341
(Glyco_hydro_6) 		5 TYR A 318
ASP A 401
ASN A 303
HIS A 267
ILE A 312
 None
None
None
EDO  A 512 (-4.2A)
None
 1.31A 1xvaB-4i5uA:
1.9		 1xvaB-4i5uA:
22.08
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.
4rf7 ARGININE KINASE

(Anthopleura
japonica) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 ALA A 201
ASP A 196
SER A  60
ILE A  90
TYR A  79
 None
None
ARG  A 805 ( 4.8A)
None
None
 1.31A 1xvaB-4rf7A:
undetectable		 1xvaB-4rf7A:
20.22
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 2
ORIGIN RECOGNITION
COMPLEX SUBUNIT 3

(Drosophila
melanogaster;
Drosophila
melanogaster) 		PF04084
(ORC2)
PF07034
(ORC3_N) 		5 TYR B 339
ALA C 600
ASP C 598
ILE B 332
TYR B 336
 None
 1.38A 1xvaB-4xgcB:
2.3		 1xvaB-4xgcB:
24.00
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.
4yrp HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
cruzi) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 TYR A 342
ALA A 190
ASN A 172
TYR A 318
TYR A  87
 HIS  A 501 (-4.6A)
None
HIS  A 501 (-4.4A)
None
None
 1.15A 1xvaB-4yrpA:
0.2		 1xvaB-4yrpA:
21.00
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.
5fq6 PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		5 TYR A  39
ALA A 323
ASP A 220
SER A 394
ILE A 307
 None
 1.29A 1xvaB-5fq6A:
undetectable		 1xvaB-5fq6A:
20.50
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.
5fq6 PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		5 TYR A  39
ALA A 323
ASP A 220
SER A 394
TYR A 268
 None
 1.29A 1xvaB-5fq6A:
undetectable		 1xvaB-5fq6A:
20.50
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.
5h05 AMYP

(marine
metagenome) 		PF00128
(Alpha-amylase) 		5 TYR A 422
ASP A 247
ASN A 278
TYR A 332
ILE A 415
 None
 1.35A 1xvaB-5h05A:
0.4		 1xvaB-5h05A:
20.29
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.
5lv1 PTXB

(Prochlorococcus
marinus) 		no annotation 5 TYR A 100
ALA A 164
ASP A 161
ILE A 256
TYR A  55
 78T  A 301 (-4.9A)
None
None
None
78T  A 301 (-4.6A)
 1.48A 1xvaB-5lv1A:
undetectable		 1xvaB-5lv1A:
undetectable
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.
5ndz LYSOZYME,PROTEINASE-
ACTIVATED RECEPTOR
2,SOLUBLE CYTOCHROME
B562,PROTEINASE-ACTI
VATED RECEPTOR 2

(Escherichia
coli;
Homo sapiens;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
PF07361
(Cytochrom_B562) 		5 ALA A 329
ASN A 304
SER A 303
TYR A 242
TYR A 160
 None
 1.47A 1xvaB-5ndzA:
undetectable		 1xvaB-5ndzA:
18.05
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.
5nj6 PROTEINASE-ACTIVATED
RECEPTOR 2,SOLUBLE
CYTOCHROME
B562,PROTEINASE-ACTI
VATED RECEPTOR 2

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		5 ALA A 329
ASN A 304
SER A 303
TYR A 242
TYR A 160
 None
 1.46A 1xvaB-5nj6A:
undetectable		 1xvaB-5nj6A:
18.71
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.
5o2j PROBABLE PHOSPHITE
TRANSPORT
SYSTEM-BINDING
PROTEIN PTXB

(Pseudomonas
stutzeri) 		no annotation 5 TYR A  94
ALA A 159
ASP A 156
ILE A 251
TYR A  49
 2PO  A 301 (-4.9A)
None
None
None
2PO  A 301 (-4.7A)
 1.44A 1xvaB-5o2jA:
undetectable		 1xvaB-5o2jA:
undetectable
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.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 5 TYR A 297
ALA A 340
ASN A 335
SER A 338
TYR A 321
 None
 1.47A 1xvaB-5z0uA:
1.0		 1xvaB-5z0uA:
undetectable
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.
6bm8 ENVELOPE
GLYCOPROTEIN B

(Human
alphaherpesvirus
1) 		no annotation 5 ALA A 390
SER A 388
ARG A 377
TYR A 429
TYR A 452
 None
 1.21A 1xvaB-6bm8A:
undetectable		 1xvaB-6bm8A:
undetectable
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.
6eo5 PPBBE-LIKE 1 D396N

(Physcomitrella
patens) 		no annotation 5 TYR A 367
ALA A 363
ASN A 460
ILE A 404
TYR A 398
 None
None
FAD  A 601 (-3.5A)
None
None
 1.34A 1xvaB-6eo5A:
undetectable		 1xvaB-6eo5A:
undetectable
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.
6eo5 PPBBE-LIKE 1 D396N

(Physcomitrella
patens) 		no annotation 5 TYR A 367
ALA A 363
TYR A 471
ILE A 404
TYR A 398
 None
 0.82A 1xvaB-6eo5A:
undetectable		 1xvaB-6eo5A:
undetectable