SIMILAR PATTERNS OF AMINO ACIDS FOR 4E47_D_SAMD800_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
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.
1iwa RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE/OXYGENAS
E LARGE SUBUNIT

(Galdieria
partita) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ILE A 444
ALA A 430
GLU A 425
GLY A 395
HIS A 388
 None
 1.50A 4e47D-1iwaA:
0.0		 4e47D-1iwaA:
18.90
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.
1jl5 OUTER PROTEIN YOPM

(Yersinia pestis) 		PF12468
(TTSSLRR) 		5 ILE A1343
GLU A1286
ASN A1263
ASN A1323
TYR A1301
 None
CA  A2001 ( 4.3A)
None
None
None
 1.43A 4e47D-1jl5A:
0.0		 4e47D-1jl5A:
20.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mt6 SET9

(Homo sapiens) 		PF00856
(SET)
PF02493
(MORN) 		9 ILE A 223
ALA A 226
GLU A 228
GLY A 264
ASN A 265
LYS A 294
ASN A 296
HIS A 297
TYR A 335
 SAH  A   1 ( 4.5A)
SAH  A   1 (-3.8A)
None
SAH  A   1 ( 4.1A)
SAH  A   1 (-3.6A)
SAH  A   1 (-2.6A)
SAH  A   1 (-3.3A)
None
SAH  A   1 (-4.4A)
 0.36A 4e47D-1mt6A:
32.5		 4e47D-1mt6A:
100.00
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.
1qr0 4'-PHOSPHOPANTETHEIN
YL TRANSFERASE SFP

(Bacillus
subtilis) 		PF01648
(ACPS) 		5 ILE A 191
ALA A 203
GLU A 151
GLY A  97
LYS A 155
 None
None
COA  A 300 ( 2.7A)
None
COA  A 300 (-2.8A)
 1.38A 4e47D-1qr0A:
undetectable		 4e47D-1qr0A:
22.91
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.
1yb0 PROPHAGE LAMBDABA02,
N-ACETYLMURAMOYL-L-A
LANINE AMIDASE,
FAMILY 2

(Bacillus
anthracis) 		PF01510
(Amidase_2) 		5 ILE A  66
ALA A  72
GLU A  50
GLY A  80
ASN A  79
 None
 1.35A 4e47D-1yb0A:
undetectable		 4e47D-1yb0A:
19.32
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.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		5 ILE A  71
ALA A  70
GLU A 102
GLY A 293
ASN A 154
 GLC  A1769 ( 3.8A)
GLC  A1769 (-3.5A)
None
None
GLC  A1769 (-2.6A)
 1.40A 4e47D-2cn3A:
0.0		 4e47D-2cn3A:
16.76
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.
2e5a LIPOYLTRANSFERASE 1

(Bos taurus) 		no annotation 5 ALA A 206
GLU A 208
GLY A   5
ASN A 217
HIS A 218
 None
None
None
None
PO4  A4001 ( 4.9A)
 1.07A 4e47D-2e5aA:
0.0		 4e47D-2e5aA:
19.78
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.
2vr5 GLYCOGEN OPERON
PROTEIN GLGX

(Sulfolobus
solfataricus) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 ILE A 563
ALA A 556
ASN A 500
LYS A 484
ASN A 553
 None
 1.33A 4e47D-2vr5A:
0.0		 4e47D-2vr5A:
16.99
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.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 5 ILE A 410
GLU A  47
GLY A 368
ASN A 367
ASN A 430
 None
 1.24A 4e47D-3a0fA:
0.0		 4e47D-3a0fA:
15.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cbo HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7

(Homo sapiens) 		PF00856
(SET) 		10 ILE A 223
ALA A 226
GLU A 228
GLY A 264
ASN A 265
LYS A 294
ASN A 296
HIS A 297
TYR A 335
TRP A 352
 SAH  A   1 ( 4.3A)
SAH  A   1 (-3.7A)
SAH  A   1 (-4.9A)
SAH  A   1 (-4.0A)
SAH  A   1 (-4.0A)
SAH  A   1 (-2.7A)
SAH  A   1 (-3.3A)
None
SAH  A   1 (-4.9A)
SAH  A   1 (-3.9A)
 0.22A 4e47D-3cboA:
38.4		 4e47D-3cboA:
100.00
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.
3gyx ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas) 		PF00890
(FAD_binding_2) 		5 ILE A  20
ALA A 504
GLU A 506
GLY A 208
HIS A 220
 None
 1.37A 4e47D-3gyxA:
undetectable		 4e47D-3gyxA:
16.56
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.
3ll9 ISOPENTENYL
PHOSPHATE KINASE

(Methanothermobacter
thermautotrophicus) 		PF00696
(AA_kinase) 		5 ILE A 240
ALA A 251
GLU A 255
GLY A  34
ASN A  35
 None
 1.44A 4e47D-3ll9A:
undetectable		 4e47D-3ll9A:
24.24
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.
3ss6 ACETYL-COA
ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ILE A   6
ALA A 272
GLU A 389
GLY A 368
HIS A 362
 None
None
None
None
K  A 396 ( 4.9A)
 1.24A 4e47D-3ss6A:
undetectable		 4e47D-3ss6A:
21.09
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.
3tw5 TRANSGLUTAMINASE
ELICITOR

(Phytophthora
sojae) 		PF16683
(TGase_elicitor) 		5 ILE A 478
ALA A 365
GLU A 163
GLY A 338
ASN A 165
 None
 1.36A 4e47D-3tw5A:
undetectable		 4e47D-3tw5A:
21.54
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.
4c1q HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9

(Mus musculus) 		PF00856
(SET) 		5 ILE A 253
ALA A 256
GLY A 290
ASN A 320
TYR A 357
 SAH  A 394 (-4.1A)
SAH  A 394 (-3.6A)
None
SAH  A 394 (-3.4A)
None
 0.39A 4e47D-4c1qA:
10.0		 4e47D-4c1qA:
22.96
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.
4eze HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Salmonella
enterica) 		PF12710
(HAD) 		5 ILE A 165
GLU A 292
GLY A  87
ASN A  86
LYS A 172
 None
 1.29A 4e47D-4ezeA:
undetectable		 4e47D-4ezeA:
20.24
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.
4mee DIFFUSE ADHERENCE
ADHESIN

(Escherichia
coli) 		PF03797
(Autotransporter) 		5 ILE A1187
ALA A1161
GLY A1192
ASN A1218
HIS A1221
 None
 1.40A 4e47D-4meeA:
0.6		 4e47D-4meeA:
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.
4mpt PUTATIVE
LEU/ILE/VAL-BINDING
PROTEIN

(Bordetella
pertussis) 		PF13458
(Peripla_BP_6) 		5 ILE A 258
ALA A 260
ASN A 309
ASN A 340
TYR A 343
 None
 1.47A 4e47D-4mptA:
undetectable		 4e47D-4mptA:
21.94
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.
4n2x DL-2-HALOACID
DEHALOGENASE

(Methylobacterium
sp. CPA1) 		PF10778
(DehI) 		5 ILE A  63
ALA A  68
GLU A 150
ASN A 301
TYR A 115
 None
 1.19A 4e47D-4n2xA:
undetectable		 4e47D-4n2xA:
21.10
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.
4wjb PUTATIVE
AMIDOHYDROLASE/PEPTI
DASE

(Burkholderia
cenocepacia) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ILE A 101
ALA A  89
GLU A 133
GLY A  67
ASN A  68
 None
None
ZN  A 501 ( 4.1A)
None
None
 1.49A 4e47D-4wjbA:
0.0		 4e47D-4wjbA:
20.42
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.
4x28 ACYL-COA
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		no annotation 5 ILE D 258
ALA D 248
GLU D 246
GLY D 271
HIS D 327
 FDA  A 501 (-3.5A)
None
None
None
FDA  A 501 (-3.8A)
 1.35A 4e47D-4x28D:
undetectable		 4e47D-4x28D:
21.52
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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT A

(Oryctolagus
cuniculus) 		PF01399
(PCI) 		5 ILE A 329
ALA A 325
GLU A 423
LYS A 278
HIS A 297
 None
 1.40A 4e47D-5a5tA:
undetectable		 4e47D-5a5tA:
9.44
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 ILE A 466
ALA A1336
GLU A 991
GLY A 432
ASN A 465
 None
 1.26A 4e47D-5dotA:
undetectable		 4e47D-5dotA:
11.16
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.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		5 ILE A 690
ALA A 643
GLU A 580
GLY A 593
TRP A 220
 None
 1.48A 4e47D-5jxkA:
1.3		 4e47D-5jxkA:
17.81
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.
5k5a PARB DOMAIN PROTEIN
NUCLEASE

(Sulfolobus
solfataricus) 		PF02195
(ParBc) 		5 ILE B 201
ALA B 171
GLU B 158
ASN B 202
TYR B 226
 None
 1.11A 4e47D-5k5aB:
undetectable		 4e47D-5k5aB:
21.34
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.
6gmb HYDROXYACID OXIDASE
1

(Homo sapiens) 		no annotation 5 ILE A 278
ALA A 244
GLU A 283
GLY A 251
LYS A 285
 None
 1.26A 4e47D-6gmbA:
undetectable		 4e47D-6gmbA:
undetectable