SIMILAR PATTERNS OF AMINO ACIDS FOR 1YMX_A_CFXA1001_2

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.
1akc ASPARTATE
AMINOTRANSFERASE

(Gallus gallus) 		PF00155
(Aminotran_1_2) 		4 TYR A 256
PRO A 299
THR A 271
SER A 111
 None
 1.47A 1ymxA-1akcA:
0.0		 1ymxA-1akcA:
21.01
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.
1fn4 MONOCLONAL ANTIBODY
AGAINST
ACETYLCHOLINE
RECEPTOR

(Rattus
norvegicus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR B  97
PRO B 100
THR A  51
SER A  53
 None
 0.93A 1ymxA-1fn4B:
undetectable		 1ymxA-1fn4B:
25.67
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.
1jft PURINE NUCLEOTIDE
SYNTHESIS REPRESSOR

(Escherichia
coli) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		4 CYH A 245
TYR A  73
PRO A 187
THR A 289
 None
HPA  A 599 (-3.2A)
None
None
 1.21A 1ymxA-1jftA:
undetectable		 1ymxA-1jftA:
21.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n4o L2 BETA-LACTAMASE

(Stenotrophomonas
maltophilia) 		PF13354
(Beta-lactamase2) 		4 CYH A  69
PRO A 167
THR A 235
SER A 237
 None
None
SO4  A1002 (-3.6A)
SO4  A1002 (-2.7A)
 0.57A 1ymxA-1n4oA:
40.5		 1ymxA-1n4oA:
47.27
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.
1uf2 OUTER CAPSID PROTEIN
P8

(Rice dwarf
virus) 		no annotation 4 TYR P 360
PRO P 364
THR P 353
SER P 355
 None
 1.41A 1ymxA-1uf2P:
undetectable		 1ymxA-1uf2P:
24.01
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.
2csd TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		4 CYH A  68
PRO A  72
THR A  63
SER A  65
 None
 1.24A 1ymxA-2csdA:
undetectable		 1ymxA-2csdA:
20.81
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.
2gv8 MONOOXYGENASE

(Schizosaccharomyces
pombe) 		PF00743
(FMO-like)
PF13450
(NAD_binding_8) 		4 CYH A 287
TYR A 176
PRO A 179
SER A 223
 None
NDP  A 501 ( 3.8A)
None
NDP  A 501 (-2.8A)
 1.33A 1ymxA-2gv8A:
undetectable		 1ymxA-2gv8A:
20.71
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.
2kyz HEAVY METAL BINDING
PROTEIN

(Thermotoga
maritima) 		PF00403
(HMA) 		4 CYH A  15
TYR A   6
PRO A  60
SER A  11
 None
 1.07A 1ymxA-2kyzA:
0.4		 1ymxA-2kyzA:
12.65
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.
2rc5 FERREDOXIN-NADP
REDUCTASE

(Leptospira
interrogans) 		PF00175
(NAD_binding_1) 		4 TYR A  96
PRO A 179
THR A 150
SER A 153
 FAD  A 415 (-4.0A)
None
None
None
 1.33A 1ymxA-2rc5A:
undetectable		 1ymxA-2rc5A:
21.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		5 CYH A  69
TYR A 105
PRO A 167
THR A 235
SER A 237
 None
 0.77A 1ymxA-2wyxA:
46.1		 1ymxA-2wyxA:
83.98
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.
3c2u XYLOSIDASE/ARABINOSI
DASE

(Selenomonas
ruminantium) 		PF04616
(Glyco_hydro_43)
PF07081
(DUF1349) 		4 CYH A 413
TYR A 501
PRO A 287
THR A 439
 None
 1.46A 1ymxA-3c2uA:
undetectable		 1ymxA-3c2uA:
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.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ BETA CHAIN

(Mycobacterium
tuberculosis) 		PF01960
(ArgJ) 		4 CYH B 352
PRO B 359
THR B 374
SER B 343
 None
 1.10A 1ymxA-3it4B:
undetectable		 1ymxA-3it4B:
21.85
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.
3k04 POTASSIUM CHANNEL
PROTEIN NAK

(Bacillus cereus) 		PF07885
(Ion_trans_2) 		4 TYR A  42
PRO A  50
THR A  34
SER A  37
 None
None
MPD  A 506 ( 4.3A)
MPD  A 506 (-2.5A)
 1.37A 1ymxA-3k04A:
undetectable		 1ymxA-3k04A:
17.34
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.
3m7g TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13404
(HTH_AsnC-type) 		4 CYH A  68
PRO A  72
THR A  63
SER A  65
 None
 1.19A 1ymxA-3m7gA:
undetectable		 1ymxA-3m7gA:
23.10
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.
3st1 NECROSIS-AND
ETHYLENE-INDUCING
PROTEIN

(Moniliophthora
perniciosa) 		PF05630
(NPP1) 		4 TYR A 101
PRO A 214
THR A  97
SER A  90
 None
 1.27A 1ymxA-3st1A:
undetectable		 1ymxA-3st1A:
22.34
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.
3uof BACTERIOFERRITIN

(Mycobacterium
tuberculosis) 		PF00210
(Ferritin) 		4 CYH A 108
PRO A   5
THR A 114
SER A 116
 None
 1.32A 1ymxA-3uofA:
undetectable		 1ymxA-3uofA:
21.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zny CTX-M-12A ENZYME

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		5 CYH A  69
TYR A 105
PRO A 167
THR A 235
SER A 237
 None
 0.56A 1ymxA-3znyA:
47.7		 1ymxA-3znyA:
82.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c75 BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		4 CYH A  69
TYR A 105
PRO A 167
THR A 235
 None
None
None
SO4  A 291 (-3.8A)
 0.54A 1ymxA-4c75A:
42.7		 1ymxA-4c75A:
57.03
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.
4e4y SHORT CHAIN
DEHYDROGENASE FAMILY
PROTEIN

(Francisella
tularensis) 		PF13561
(adh_short_C2) 		4 CYH A 127
TYR A 238
THR A 138
SER A 124
 None
None
None
GOL  A 306 (-2.7A)
 1.42A 1ymxA-4e4yA:
undetectable		 1ymxA-4e4yA:
22.30
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.
4mgu STRUCTURAL PROTEIN
VP2

(Orthopteran
ambidensovirus
1) 		PF02336
(Denso_VP4) 		4 TYR A 288
PRO A 335
THR A 400
SER A 326
 None
 1.42A 1ymxA-4mguA:
undetectable		 1ymxA-4mguA:
20.37
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.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		4 TYR A 374
PRO A 128
THR A 119
SER A 122
 None
 1.49A 1ymxA-4ph9A:
undetectable		 1ymxA-4ph9A:
20.04
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.
4xe3 CYTOCHROME P-450

(Streptomyces
antibioticus) 		PF00067
(p450) 		4 TYR A  17
PRO A 316
THR A  56
SER A  41
 None
 1.40A 1ymxA-4xe3A:
undetectable		 1ymxA-4xe3A:
23.60
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.
5cxp POSSIBLE XYLAN
DEGRADATION ENZYME
(GLYCOSYL HYDROLASE
FAMILY 30-LIKE
DOMAIN AND RICIN
B-LIKE DOMAIN)

(Clostridium
acetobutylicum) 		PF02055
(Glyco_hydro_30) 		4 TYR A 115
PRO A 109
THR A  99
SER A  92
 None
 1.39A 1ymxA-5cxpA:
undetectable		 1ymxA-5cxpA:
21.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e2e BETA-LACTAMASE

(Yersinia
enterocolitica) 		PF13354
(Beta-lactamase2) 		5 CYH A  46
TYR A  82
PRO A 144
THR A 212
SER A 214
 None
 0.62A 1ymxA-5e2eA:
44.3		 1ymxA-5e2eA:
58.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eoe BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		4 TYR A  97
PRO A 160
THR A 228
SER A 230
 CIT  A 303 (-4.1A)
None
CIT  A 303 (-3.6A)
CIT  A 303 (-2.5A)
 0.52A 1ymxA-5eoeA:
40.6		 1ymxA-5eoeA:
41.79
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.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 TYR B 369
PRO B 356
THR B 337
SER B 333
 None
 1.27A 1ymxA-5fq6B:
undetectable		 1ymxA-5fq6B:
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.
5hm5 TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		4 CYH A  68
PRO A  72
THR A  63
SER A  65
 None
 1.20A 1ymxA-5hm5A:
undetectable		 1ymxA-5hm5A:
15.27
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.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		4 TYR A 373
PRO A 127
THR A 118
SER A 121
 None
 1.45A 1ymxA-5ikrA:
undetectable		 1ymxA-5ikrA:
17.77
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.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		4 CYH A 706
TYR A 101
PRO A 204
SER A 108
 None
 1.14A 1ymxA-5jxkA:
undetectable		 1ymxA-5jxkA:
16.42
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.
5m23 WD REPEAT-CONTAINING
PROTEIN 5

(Homo sapiens) 		PF00400
(WD40) 		4 CYH A 195
TYR A 191
PRO A 215
SER A 189
 None
 1.38A 1ymxA-5m23A:
undetectable		 1ymxA-5m23A:
21.41
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.
5oc1 ARYL-ALCOHOL OXIDASE

(Pleurotus
eryngii) 		no annotation 4 TYR A  63
PRO A 440
THR A 277
SER A 274
 None
None
None
GOL  A 605 (-3.1A)
 1.49A 1ymxA-5oc1A:
undetectable		 1ymxA-5oc1A:
19.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bu3 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 5 CYH A  69
TYR A 105
PRO A 167
THR A 235
SER A 237
 None
3GK  A 302 ( 3.5A)
3GK  A 301 (-4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 ( 2.7A)
 0.45A 1ymxA-6bu3A:
49.3		 1ymxA-6bu3A:
98.75
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 4 CYH A2545
PRO A2098
THR A2540
SER A2542
 None
 1.47A 1ymxA-6fb3A:
undetectable		 1ymxA-6fb3A:
18.18