SIMILAR PATTERNS OF AMINO ACIDS FOR 4J83_A_SAMA401_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
 1.39A 4j83A-1iwaA:
0.0		 4j83A-1iwaA:
18.95
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
 1.38A 4j83A-1jl5A:
0.0		 4j83A-1jl5A:
19.73
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.
1m3s HYPOTHETICAL PROTEIN
YCKF

(Bacillus
subtilis) 		PF01380
(SIS) 		5 ILE A  39
GLU A  70
GLY A  85
LYS A  52
TYR A 159
 None
 1.42A 4j83A-1m3sA:
undetectable		 4j83A-1m3sA:
23.75
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)
 0.40A 4j83A-1mt6A:
32.5		 4j83A-1mt6A:
81.79
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.
1pix GLUTACONYL-COA
DECARBOXYLASE A
SUBUNIT

(Acidaminococcus
fermentans) 		PF01039
(Carboxyl_trans) 		5 ILE A 411
ALA A 362
GLU A 337
GLY A 383
TYR A 320
 None
 1.45A 4j83A-1pixA:
0.0		 4j83A-1pixA:
18.52
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.
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
 1.37A 4j83A-1yb0A:
0.0		 4j83A-1yb0A:
21.27
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.
2a7m N-ACYL HOMOSERINE
LACTONE HYDROLASE

(Bacillus
thuringiensis) 		PF00753
(Lactamase_B) 		5 ALA A 131
GLY A 111
ASN A 113
HIS A 106
GLU A 136
 None
None
None
ZN  A 252 ( 3.2A)
None
 1.48A 4j83A-2a7mA:
0.0		 4j83A-2a7mA:
23.30
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)
 1.38A 4j83A-2cn3A:
undetectable		 4j83A-2cn3A:
17.23
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.
2e4u METABOTROPIC
GLUTAMATE RECEPTOR 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 ILE A 390
ALA A  71
GLU A  78
TYR A 384
GLU A 387
 None
 1.32A 4j83A-2e4uA:
0.0		 4j83A-2e4uA:
18.56
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.
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)
 1.17A 4j83A-2e5aA:
undetectable		 4j83A-2e5aA:
20.51
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.
2py0 FIMBRIAL PROTEIN

(Pseudomonas
aeruginosa) 		PF00114
(Pilin) 		5 ALA A  50
GLU A  70
GLY A  74
LYS A  58
GLU A  48
 None
 1.49A 4j83A-2py0A:
undetectable		 4j83A-2py0A:
22.84
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.
2pyh POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 4

(Azotobacter
vinelandii) 		PF12708
(Pectate_lyase_3) 		5 ALA A 214
GLY A 150
ASN A 170
ASN A 217
HIS A 196
 None
 0.91A 4j83A-2pyhA:
undetectable		 4j83A-2pyhA:
22.31
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.
2q09 IMIDAZOLONEPROPIONAS
E

(unidentified) 		PF01979
(Amidohydro_1) 		5 ILE A 140
ALA A 158
GLU A 116
GLY A 206
GLU A 139
 None
 1.24A 4j83A-2q09A:
undetectable		 4j83A-2q09A:
19.61
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
 1.29A 4j83A-2vr5A:
undetectable		 4j83A-2vr5A:
17.28
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
 1.30A 4j83A-3a0fA:
undetectable		 4j83A-3a0fA:
15.51
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)
 0.26A 4j83A-3cboA:
39.0		 4j83A-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.
3esf IRON-CONTAINING
SUPEROXIDE DISMUTASE
B2

(Trypanosoma
brucei) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 ILE A 157
ALA A 191
GLU A  81
GLY A  87
TRP A 188
 None
 1.41A 4j83A-3esfA:
undetectable		 4j83A-3esfA:
19.93
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.
3nrd HISTIDINE TRIAD
(HIT) PROTEIN

(Sinorhizobium
meliloti) 		PF01230
(HIT) 		5 ILE A 130
ALA A 127
GLU A 122
GLY A  14
ASN A  29
 None
None
GOL  A 201 (-3.7A)
None
None
 1.50A 4j83A-3nrdA:
undetectable		 4j83A-3nrdA:
20.61
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.
3sm9 METABOTROPIC
GLUTAMATE RECEPTOR 3

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 ILE A 365
ALA A  46
GLU A  53
TYR A 359
GLU A 362
 None
 1.38A 4j83A-3sm9A:
undetectable		 4j83A-3sm9A:
20.44
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.
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)
 1.38A 4j83A-3ss6A:
undetectable		 4j83A-3ss6A:
21.20
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 4j83A-3tw5A:
undetectable		 4j83A-3tw5A:
21.87
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.
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
 0.38A 4j83A-4c1qA:
9.9		 4j83A-4c1qA:
23.13
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.
4c1t SUGAR TRANSPORTER
SOLUTE-BINDING
PROTEIN

(Bifidobacterium
animalis) 		PF01547
(SBP_bac_1) 		5 ALA A 226
GLU A 412
LYS A 233
ASN A 230
GLU A 307
 None
 1.48A 4j83A-4c1tA:
undetectable		 4j83A-4c1tA:
19.76
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.
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
 1.35A 4j83A-4ezeA:
undetectable		 4j83A-4ezeA:
20.53
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.
4fib UNCHARACTERIZED
PROTEIN YDHK

(Bacillus
subtilis) 		PF07563
(DUF1541) 		5 ILE A  90
ALA A 103
GLU A 204
GLY A 107
HIS A 194
 None
 1.28A 4j83A-4fibA:
undetectable		 4j83A-4fibA:
18.75
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.
4jxn OCTAPRENYL-DIPHOSPHA
TE SYNTHASE

(Roseobacter
denitrificans) 		PF00348
(polyprenyl_synt) 		5 ALA A 187
GLU A 189
GLY A 213
HIS A  86
GLU A  83
 None
 1.33A 4j83A-4jxnA:
undetectable		 4j83A-4jxnA:
21.80
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.
4mnu SLYA-LIKE
TRANSCRIPTION
REGULATOR

(Listeria
monocytogenes) 		PF01047
(MarR) 		5 ILE A 102
GLY A  31
ASN A  20
ASN A 105
GLU A  41
 None
 1.34A 4j83A-4mnuA:
undetectable		 4j83A-4mnuA:
21.29
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.
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 4j83A-4mptA:
undetectable		 4j83A-4mptA:
23.32
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.
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
 1.15A 4j83A-4n2xA:
undetectable		 4j83A-4n2xA:
21.20
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.
4rjz ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (SUGAR)

(Agrobacterium
fabrum) 		PF01547
(SBP_bac_1) 		5 ILE A  85
ALA A 313
GLU A 318
GLY A  56
ASN A  55
 None
 1.26A 4j83A-4rjzA:
undetectable		 4j83A-4rjzA:
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.
4rsl FRUCTOSYL PEPTIDE
OXIDASE

(Penicillium
terrenum) 		PF01266
(DAO) 		5 ALA A 402
GLY A  66
ASN A  65
HIS A 388
GLU A 391
 None
 1.40A 4j83A-4rslA:
undetectable		 4j83A-4rslA:
18.08
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.
4ru1 MONOSACCHARIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT2 FAMILY

(Acidothermus
cellulolyticus) 		PF13407
(Peripla_BP_4) 		5 ILE A 113
ALA A 135
GLY A 286
HIS A  57
GLU A  94
 None
None
None
INS  A 401 (-4.2A)
None
 1.45A 4j83A-4ru1A:
undetectable		 4j83A-4ru1A:
21.17
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.
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 4j83A-4wjbA:
undetectable		 4j83A-4wjbA:
21.13
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.
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)
 1.34A 4j83A-4x28D:
undetectable		 4j83A-4x28D:
21.96
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.
4x9t UNCHARACTERIZED
PROTEIN UPF0065

(Polaromonas sp.
JS666) 		PF03401
(TctC) 		5 ILE A 244
ALA A 164
GLU A 169
GLY A 156
ASN A 157
 None
 1.26A 4j83A-4x9tA:
undetectable		 4j83A-4x9tA:
21.18
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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT A

(Oryctolagus
cuniculus) 		PF01399
(PCI) 		5 ILE A 329
ALA A 325
GLU A 423
ASN A 274
HIS A 297
 None
 1.19A 4j83A-5a5tA:
undetectable		 4j83A-5a5tA:
9.34
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.
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
 1.37A 4j83A-5a5tA:
undetectable		 4j83A-5a5tA:
9.34
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.
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
 1.28A 4j83A-5dotA:
0.3		 4j83A-5dotA:
11.35
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.
5e8k GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE 10,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF00348
(polyprenyl_synt) 		5 ILE A  80
ALA A 198
GLY A 224
HIS A  84
GLU A  81
 None
 1.27A 4j83A-5e8kA:
undetectable		 4j83A-5e8kA:
21.67
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.
5fu6 CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 3

(Homo sapiens) 		PF04153
(NOT2_3_5) 		5 ILE C 715
GLU C 718
GLY C 739
TYR C 724
GLU C 711
 None
 1.45A 4j83A-5fu6C:
undetectable		 4j83A-5fu6C:
18.01
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 4j83A-5k5aB:
undetectable		 4j83A-5k5aB:
23.75
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.
5l8x TETRAHYDROMETHANOPTE
RIN
S-METHYLTRANSFERASE
SUBUNIT A

(Methanocaldococcus
jannaschii) 		PF04208
(MtrA) 		5 ILE A 167
ALA A 122
GLY A  98
ASN A 119
GLU A  60
 None
 1.46A 4j83A-5l8xA:
undetectable		 4j83A-5l8xA:
19.69
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.
5xzw SERINE/THREONINE-PRO
TEIN KINASE RAD53

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 225
GLU A 202
GLY A 221
ASN A  98
GLU A 274
 None
 1.38A 4j83A-5xzwA:
undetectable		 4j83A-5xzwA:
19.66
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
 1.25A 4j83A-6gmbA:
undetectable		 4j83A-6gmbA:
undetectable