SIMILAR PATTERNS OF AMINO ACIDS FOR 4A3U_A_ACTA1358_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.
1clf FERREDOXIN

(Clostridium
pasteurianum) 		PF12838
(Fer4_7) 		5 ALA A   5
ILE A   4
GLY A  50
VAL A  49
SER A   7
 None
SF4  A  56 (-3.7A)
None
None
None
 0.94A 4a3uA-1clfA:
undetectable		 4a3uA-1clfA:
8.82
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.
1e5f METHIONINE
GAMMA-LYASE

(Trichomonas
vaginalis) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A 350
PRO A 349
ILE A 367
GLY A 112
VAL A 357
 None
 1.46A 4a3uA-1e5fA:
undetectable		 4a3uA-1e5fA:
22.97
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.
1nm7 PEROXISOMAL MEMBRANE
PROTEIN PAS20

(Saccharomyces
cerevisiae) 		PF00018
(SH3_1) 		5 ALA A 327
PRO A 319
GLY A 360
VAL A 352
ASN A 358
 None
 1.03A 4a3uA-1nm7A:
undetectable		 4a3uA-1nm7A:
11.22
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.
1qvb BETA-GLYCOSIDASE

(Thermosphaera
aggregans) 		PF00232
(Glyco_hydro_1) 		5 ALA A 351
ARG A 323
GLY A 340
ASN A 353
SER A 349
 None
 1.11A 4a3uA-1qvbA:
12.8		 4a3uA-1qvbA:
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.
1szs 4-AMINOBUTYRATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		5 ALA A 245
ILE A 270
GLY A 272
VAL A  52
ASN A  54
 None
 1.28A 4a3uA-1szsA:
undetectable		 4a3uA-1szsA:
23.11
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.
2d8d PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE/CHORISMATE
MUTASE

(Thermus
thermophilus) 		PF01817
(CM_2) 		5 ALA A  80
ILE A  77
GLY A  27
VAL A  30
SER A  81
 None
 1.39A 4a3uA-2d8dA:
undetectable		 4a3uA-2d8dA:
14.73
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.
2dqa LYSOZYME

(Ruditapes
philippinarum) 		PF05497
(Destabilase) 		5 ALA A   2
PRO A   3
GLN A   8
ASN A  64
SER A  67
 None
 1.36A 4a3uA-2dqaA:
undetectable		 4a3uA-2dqaA:
13.79
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.
2nbi HEP200 PROTEIN

(Cylindrotheca
fusiformis) 		no annotation 5 ALA A 283
PRO A 284
GLN A 287
GLY A 308
SER A 311
 None
 1.28A 4a3uA-2nbiA:
undetectable		 4a3uA-2nbiA:
20.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3o 12-OXOPHYTODIENOATE
REDUCTASE 3

(Arabidopsis
thaliana) 		PF00724
(Oxidored_FMN) 		5 ALA A  30
PRO A  31
ILE A  61
ARG A 238
SER A 341
 FMN  A7401 (-3.6A)
FMN  A7401 (-4.3A)
None
FMN  A7401 (-3.7A)
None
 0.46A 4a3uA-2q3oA:
52.2		 4a3uA-2q3oA:
39.39
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.
2v4n MULTIFUNCTIONAL
PROTEIN SUR E

(Salmonella
enterica) 		PF01975
(SurE) 		5 ALA A  33
PRO A  34
GLY A 105
ASN A   7
SER A   6
 None
 1.14A 4a3uA-2v4nA:
undetectable		 4a3uA-2v4nA:
20.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aty PROSTAGLANDIN F2A
SYNTHASE

(Trypanosoma
cruzi) 		PF00724
(Oxidored_FMN) 		5 ALA A  25
PRO A  26
GLN A 103
ARG A 249
ASN A 313
 FMN  A 500 (-3.5A)
FMN  A 500 (-4.0A)
FMN  A 500 (-3.0A)
FMN  A 500 (-2.9A)
FMN  A 500 (-2.9A)
 1.39A 4a3uA-3atyA:
54.1		 4a3uA-3atyA:
40.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aty PROSTAGLANDIN F2A
SYNTHASE

(Trypanosoma
cruzi) 		PF00724
(Oxidored_FMN) 		5 ALA A  25
PRO A  26
ILE A  58
ARG A 249
ASN A 313
 FMN  A 500 (-3.5A)
FMN  A 500 (-4.0A)
None
FMN  A 500 (-2.9A)
FMN  A 500 (-2.9A)
 0.31A 4a3uA-3atyA:
54.1		 4a3uA-3atyA:
40.67
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.
3b13 DEDICATOR OF
CYTOKINESIS PROTEIN
2

(Homo sapiens) 		PF06920
(DHR-2) 		5 PRO A1394
GLN A1407
GLY A1346
VAL A1360
ASN A1358
 None
 1.03A 4a3uA-3b13A:
undetectable		 4a3uA-3b13A:
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.
3dp9 MTA/SAH NUCLEOSIDASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		5 ALA A 176
ILE A 146
ARG A 194
VAL A 191
ASN A  73
 None
None
BIG  A 301 ( 4.8A)
None
None
 1.36A 4a3uA-3dp9A:
undetectable		 4a3uA-3dp9A:
22.16
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.
3g3l PUTATIVE
UNCHARACTERIZED
MEMBRANE-ASSOCIATED
PROTEIN

(Bacteroides
fragilis) 		PF12985
(DUF3869) 		5 ALA A 122
ILE A  52
GLY A  50
VAL A 119
ASN A 120
 None
 1.23A 4a3uA-3g3lA:
undetectable		 4a3uA-3g3lA:
21.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3hgo 12-OXOPHYTODIENOATE
REDUCTASE 3

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		5 ALA A  30
PRO A  31
ILE A  61
ARG A 237
SER A 340
 FMN  A 401 (-3.5A)
FMN  A 401 (-3.9A)
None
FMN  A 401 (-2.9A)
None
 0.40A 4a3uA-3hgoA:
53.4		 4a3uA-3hgoA:
37.91
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.
3j9o INTRACELLULAR GROWTH
LOCUS PROTEIN B

(Francisella
tularensis) 		PF05943
(VipB) 		5 ALA B 194
ILE B 166
GLY B 186
VAL B 188
SER B 192
 None
 1.27A 4a3uA-3j9oB:
undetectable		 4a3uA-3j9oB:
22.16
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.
3khp MAOC FAMILY PROTEIN

(Mycobacterium
tuberculosis) 		PF01575
(MaoC_dehydratas)
PF13452
(MaoC_dehydrat_N) 		5 ALA A 231
GLN A  51
GLY A 228
VAL A 222
ASN A 232
 None
 1.18A 4a3uA-3khpA:
undetectable		 4a3uA-3khpA:
23.66
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.
3kwu MUNC13-1

(Rattus
norvegicus) 		PF00168
(C2) 		5 GLN A 780
ARG A 801
GLY A 779
VAL A 807
SER A 805
 None
None
None
None
CL  A 911 (-4.4A)
 1.23A 4a3uA-3kwuA:
undetectable		 4a3uA-3kwuA:
19.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wjs NADH OXIDASE

(Gluconobacter
oxydans) 		PF00724
(Oxidored_FMN) 		5 ILE A  53
GLN A 170
ARG A 224
VAL A 290
ASN A 292
 None
 0.60A 4a3uA-3wjsA:
44.8		 4a3uA-3wjsA:
69.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4a3u NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Zymomonas
mobilis) 		PF00724
(Oxidored_FMN) 		5 ALA A  22
PRO A  23
GLN A  98
ARG A 224
ASN A 292
 FMN  A1357 (-3.6A)
FMN  A1357 (-4.2A)
FMN  A1357 (-3.0A)
FMN  A1357 ( 3.0A)
FMN  A1357 (-3.1A)
 1.33A 4a3uA-4a3uA:
69.6		 4a3uA-4a3uA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4a3u NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Zymomonas
mobilis) 		PF00724
(Oxidored_FMN) 		9 ALA A  22
PRO A  23
ILE A  53
GLN A 170
ARG A 224
GLY A 259
VAL A 290
ASN A 292
SER A 313
 FMN  A1357 (-3.6A)
FMN  A1357 (-4.2A)
ACT  A1358 (-4.7A)
ACT  A1358 (-3.3A)
FMN  A1357 ( 3.0A)
ACT  A1358 (-3.6A)
ACT  A1358 ( 4.8A)
FMN  A1357 (-3.1A)
ACT  A1358 (-2.4A)
 0.01A 4a3uA-4a3uA:
69.6		 4a3uA-4a3uA:
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.
4fcs VERSATILE PEROXIDASE
VPL2

(Pleurotus
eryngii) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 ALA A 167
ILE A 254
GLN A 251
GLY A 117
VAL A 118
 None
 1.14A 4a3uA-4fcsA:
undetectable		 4a3uA-4fcsA:
23.40
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.
4iis BETA-1,3-GLUCANASE
FORM 'RRII GLN 2'

(Hevea
brasiliensis) 		PF00332
(Glyco_hydro_17) 		5 ALA A 134
ARG A  32
GLY A  54
VAL A  55
ASN A  93
 None
None
None
None
FLC  A 402 (-4.5A)
 0.99A 4a3uA-4iisA:
5.7		 4a3uA-4iisA:
20.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jip GTN REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		5 ALA A  22
PRO A  23
GLN A  97
ARG A 230
ASN A 305
 FMN  A 401 (-3.4A)
FMN  A 401 (-3.9A)
FMN  A 401 (-2.9A)
FMN  A 401 (-3.0A)
FMN  A 401 (-3.1A)
 1.31A 4a3uA-4jipA:
55.0		 4a3uA-4jipA:
43.09
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.
4m8n PLEXINC1
INTRACELLULAR REGION
RAS-RELATED PROTEIN
RAP-1B

(Danio rerio;
Homo sapiens) 		PF08337
(Plexin_cytopl)
PF00071
(Ras) 		5 PRO E  34
GLN E  63
ARG A 711
GLY E  12
VAL E  14
 AF3  E 202 ( 4.3A)
AF3  E 202 (-3.5A)
GDP  E 201 ( 2.9A)
AF3  E 202 (-3.5A)
GDP  E 201 (-4.3A)
 1.47A 4a3uA-4m8nE:
undetectable		 4a3uA-4m8nE:
18.85
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.
4mkn TRIOSEPHOSPHATE
ISOMERASE

(Chlamydomonas
reinhardtii) 		PF00121
(TIM) 		5 ALA A  63
ILE A  92
GLY A  10
VAL A  40
SER A  62
 None
 1.37A 4a3uA-4mknA:
7.4		 4a3uA-4mknA:
23.48
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.
4ofp PROTEIN SYG-2

(Caenorhabditis
elegans) 		PF00047
(ig)
PF13927
(Ig_3) 		5 ALA A 412
ILE A 363
GLN A 377
VAL A 387
SER A 354
 None
 1.19A 4a3uA-4ofpA:
undetectable		 4a3uA-4ofpA:
18.11
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.
4ofy PROTEIN SYG-2

(Caenorhabditis
elegans) 		PF08205
(C2-set_2)
PF13927
(Ig_3) 		5 ALA D 412
ILE D 363
GLN D 377
VAL D 387
SER D 354
 None
 1.30A 4a3uA-4ofyD:
undetectable		 4a3uA-4ofyD:
22.22
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.
4q0g PROBABLE
ACETYL-/PROPIONYL-CO
A CARBOXYLASE (BETA
SUBUNIT) ACCD1

(Mycobacterium
tuberculosis) 		PF01039
(Carboxyl_trans) 		5 ALA A  83
ILE A  85
GLY A 109
VAL A 106
SER A  80
 None
 1.29A 4a3uA-4q0gA:
2.6		 4a3uA-4q0gA:
23.35
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.
4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Bacillus
anthracis) 		no annotation 5 ALA B 176
ILE B 146
ARG B 194
VAL B 191
ASN B  73
 None
None
TRS  B 302 (-3.1A)
None
None
 1.34A 4a3uA-4qezB:
undetectable		 4a3uA-4qezB:
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.
4yxm DNA INTEGRITY
SCANNING PROTEIN
DISA

(Thermotoga
maritima) 		PF00633
(HHH)
PF02457
(DisA_N)
PF10635
(DisA-linker) 		5 PRO A 304
ILE A 303
ARG A 339
GLY A 334
SER A 306
 None
 1.40A 4a3uA-4yxmA:
undetectable		 4a3uA-4yxmA:
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.
5e3b MACRODOMAIN PROTEIN

(Streptomyces
coelicolor) 		no annotation 5 ALA A 114
ILE A 150
ARG A 148
GLY A 107
VAL A 109
 None
 1.22A 4a3uA-5e3bA:
undetectable		 4a3uA-5e3bA:
20.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5epd GLYCEROL TRINITRATE
REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		5 ALA A  24
PRO A  25
GLN A 100
ARG A 228
ASN A 294
 None
 1.15A 4a3uA-5epdA:
52.7		 4a3uA-5epdA:
42.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5epd GLYCEROL TRINITRATE
REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		5 ALA A  24
PRO A  25
ILE A  55
ARG A 228
ASN A 294
 None
 0.36A 4a3uA-5epdA:
52.7		 4a3uA-5epdA:
42.64
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.
5fof LEUCYL-TRNA
SYNTHETASE

(Plasmodium
knowlesi) 		no annotation 5 ILE A 491
GLN A 529
GLY A 501
ASN A 499
SER A 489
 None
 1.48A 4a3uA-5fofA:
undetectable		 4a3uA-5fofA:
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.
5fui ENDO-1,3-BETA-GLUCAN
ASE, FAMILY GH16

(Zobellia
galactanivorans) 		PF03422
(CBM_6) 		5 ALA A 320
GLY A 324
VAL A 342
ASN A 344
SER A 319
 None
 1.33A 4a3uA-5fuiA:
undetectable		 4a3uA-5fuiA:
16.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 ALA A  32
PRO A  33
ILE A  63
ARG A 234
VAL A 299
 FMN  A 400 (-3.5A)
FMN  A 400 (-3.7A)
None
FMN  A 400 (-2.9A)
None
 0.58A 4a3uA-5k1uA:
49.3		 4a3uA-5k1uA:
38.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ocs PUTATIVE
NADH-DEPENTDENT
FLAVIN
OXIDOREDUCTASE

(Cupriavidus
metallidurans) 		PF00724
(Oxidored_FMN) 		5 ALA A  22
PRO A  23
ILE A  54
ARG A 231
SER A 322
 FMN  A 401 (-3.4A)
FMN  A 401 (-4.1A)
None
FMN  A 401 (-2.8A)
None
 0.43A 4a3uA-5ocsA:
38.2		 4a3uA-5ocsA:
30.83
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.
5t6u CATHEPSIN K

(Mus musculus) 		PF00112
(Peptidase_C1) 		5 ALA A  27
PRO A  50
GLN A  51
GLY A  91
SER A  24
 None
 1.34A 4a3uA-5t6uA:
undetectable		 4a3uA-5t6uA:
18.41
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.
5ue1 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		5 ALA A 176
ILE A 146
ARG A 194
VAL A 191
ASN A  73
 None
None
TRS  A 302 (-3.4A)
None
None
 1.38A 4a3uA-5ue1A:
undetectable		 4a3uA-5ue1A:
22.58
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.
6aon DIHYDROLIPOYL
DEHYDROGENASE

(Bordetella
pertussis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 123
ILE A 134
GLY A 126
VAL A 294
ASN A 290
 None
 1.21A 4a3uA-6aonA:
undetectable		 4a3uA-6aonA:
23.33