SIMILAR PATTERNS OF AMINO ACIDS FOR 3T3S_A_9PLA1_1

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.
1q5n 3-CARBOXY-CIS,CIS-MU
CONATE
CYCLOISOMERASE

(Acinetobacter
calcoaceticus) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 PHE A 426
ALA A 369
ALA A 392
THR A 395
LEU A 366
 None
 1.41A 3t3sA-1q5nA:
0.0		 3t3sA-1q5nA:
20.70
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.
2czq CUTINASE-LIKE
PROTEIN

(Cryptococcus
sp. S-2) 		PF01083
(Cutinase) 		5 ALA A 205
PHE A 112
ASN A 199
PHE A 196
ALA A 197
 None
 1.48A 3t3sA-2czqA:
undetectable		 3t3sA-2czqA:
19.43
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.
2exh BETA-D-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43) 		5 PHE A 334
PHE A 530
PHE A 343
ALA A 382
LEU A 366
 None
 1.50A 3t3sA-2exhA:
0.0		 3t3sA-2exhA:
21.59
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.
2gm8 TENA HOMOLOG/THI-4
THIAMINASE

(Pyrobaculum
aerophilum) 		PF03070
(TENA_THI-4) 		5 PHE A 124
ALA A  57
PHE A 135
ALA A  74
THR A  77
 None
None
HMH  A 301 ( 4.9A)
None
None
 1.27A 3t3sA-2gm8A:
0.0		 3t3sA-2gm8A:
18.24
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.
2pv4 UNCHARACTERIZED
PROTEIN

(Shewanella
amazonensis) 		PF11269
(DUF3069) 		5 PHE A  72
PHE A  75
ALA A  78
ASN A  79
ALA A 117
 None
 1.34A 3t3sA-2pv4A:
undetectable		 3t3sA-2pv4A:
15.77
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.
2vyc BIODEGRADATIVE
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		5 PHE A 411
PHE A 379
ASN A 407
ALA A 405
THR A 377
 None
 1.34A 3t3sA-2vycA:
0.0		 3t3sA-2vycA:
19.79
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.
2xua 3-OXOADIPATE
ENOL-LACTONASE

(Paraburkholderia
xenovorans) 		PF12146
(Hydrolase_4) 		5 PHE A  53
PHE A 254
ASN A  95
ALA A 121
LEU A  31
 None
 1.42A 3t3sA-2xuaA:
0.0		 3t3sA-2xuaA:
20.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e4e CYTOCHROME P450 2E1

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 116
PHE A 207
PHE A 298
ALA A 299
THR A 303
 None
None
None
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
 1.06A 3t3sA-3e4eA:
56.1		 3t3sA-3e4eA:
51.14
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.
3ea0 ATPASE, PARA FAMILY

(Chlorobaculum
tepidum) 		PF13614
(AAA_31) 		5 PHE A   6
ASN A  21
PHE A  22
ALA A  23
LEU A  46
 None
 1.49A 3t3sA-3ea0A:
0.0		 3t3sA-3ea0A:
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.
3flb RIFR

(Amycolatopsis
mediterranei) 		PF00975
(Thioesterase) 		5 PHE A  91
PHE A  36
PHE A 195
ALA A 235
LEU A  43
 None
None
None
PG4  A5798 (-3.4A)
None
 1.38A 3t3sA-3flbA:
0.0		 3t3sA-3flbA:
18.07
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.
3l22 SUSD SUPERFAMILY
PROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 PHE A 274
PHE A 348
ALA A 226
ALA A 148
LEU A 208
 None
 1.25A 3t3sA-3l22A:
undetectable		 3t3sA-3l22A:
22.48
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.
3lca PROTEIN TOM71

(Saccharomyces
cerevisiae) 		PF00515
(TPR_1)
PF13181
(TPR_8)
PF14559
(TPR_19) 		5 PHE A 273
PHE A 276
PHE A 354
ASN A 379
LEU A 302
 None
 1.35A 3t3sA-3lcaA:
undetectable		 3t3sA-3lcaA:
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.
3opx PROTEIN SSM1

(Saccharomyces
cerevisiae) 		PF13419
(HAD_2) 		5 PHE A 200
ALA A 198
PHE A 183
ALA A 186
THR A 164
 None
 1.32A 3t3sA-3opxA:
undetectable		 3t3sA-3opxA:
19.92
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.
3oyt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE I

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 PHE A 230
ALA A 339
PHE A 202
PHE A 393
ALA A 163
 None
 1.40A 3t3sA-3oytA:
undetectable		 3t3sA-3oytA:
20.00
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.
3s98 INTERFERON
ALPHA/BETA RECEPTOR
1

(Homo sapiens) 		PF01108
(Tissue_fac)
PF09294
(Interfer-bind) 		5 PHE A 266
PHE A 297
ASN A 269
PHE A 271
THR A 299
 None
 1.30A 3t3sA-3s98A:
undetectable		 3t3sA-3s98A:
20.46
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.
4bzg ALDOSE 1-EPIMERASE

(Bacillus
subtilis) 		PF01263
(Aldose_epim) 		5 PHE A  80
ALA A 291
PHE A 139
PHE A  89
LEU A 303
 None
 1.44A 3t3sA-4bzgA:
undetectable		 3t3sA-4bzgA:
22.04
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.
4iu9 NITRITE EXTRUSION
PROTEIN 2

(Escherichia
coli) 		no annotation 5 PHE B  47
ALA B 141
PHE B 265
ASN B 144
PHE B 145
 None
 1.46A 3t3sA-4iu9B:
undetectable		 3t3sA-4iu9B:
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.
4jz6 SALICYLALDEHYDE
DEHYDROGENASE NAHF

(Pseudomonas
putida) 		PF00171
(Aldedh) 		5 PHE A  20
ALA A  35
PHE A 171
ALA A 182
THR A 185
 None
 1.43A 3t3sA-4jz6A:
undetectable		 3t3sA-4jz6A:
21.74
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.
4nfz POLYMERASE PA

(Influenza A
virus) 		PF00603
(Flu_PA) 		5 PHE A   9
ASN A  33
ALA A  37
THR A  40
LEU A 182
 None
 1.03A 3t3sA-4nfzA:
undetectable		 3t3sA-4nfzA:
18.12
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) 		5 PHE A 201
PHE A 396
ASN A 196
PHE A 427
LEU A 391
 None
 1.31A 3t3sA-4ph9A:
undetectable		 3t3sA-4ph9A:
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.
4qav 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Neisseria
meningitidis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 PHE A 231
ALA A 345
PHE A 204
PHE A 401
ALA A 164
 None
 1.41A 3t3sA-4qavA:
undetectable		 3t3sA-4qavA:
21.39
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.
5da0 SULPHATE TRANSPORTER

(Deinococcus
geothermalis) 		PF00916
(Sulfate_transp)
PF01740
(STAS) 		5 PHE A  42
ALA A 142
ALA A 336
THR A 339
LEU A  83
 None
None
None
DMU  A 601 (-3.4A)
None
 1.02A 3t3sA-5da0A:
undetectable		 3t3sA-5da0A:
22.18
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.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		5 PHE A 200
PHE A 395
ASN A 195
PHE A 426
LEU A 390
 COH  A 602 (-4.1A)
COH  A 602 ( 4.8A)
None
None
COH  A 602 ( 4.5A)
 1.35A 3t3sA-5ikrA:
undetectable		 3t3sA-5ikrA:
22.64
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.
5iof SULPHATE TRANSPORTER

(Deinococcus
geothermalis) 		PF00916
(Sulfate_transp) 		5 PHE A  42
ALA A 142
ALA A 336
THR A 339
LEU A  83
 None
 1.02A 3t3sA-5iofA:
undetectable		 3t3sA-5iofA:
21.05
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.
5mln ALCOHOL
DEHYDROGENASE 3

([Candida]
magnoliae) 		no annotation 5 PHE A  73
ALA A  69
PHE A  86
ALA A 119
LEU A  62
 None
 1.16A 3t3sA-5mlnA:
undetectable		 3t3sA-5mlnA:
11.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wbg CYTOCHROME P450 2B6

(Homo sapiens) 		no annotation 5 PHE A 108
PHE A 206
PHE A 297
ALA A 298
THR A 302
 9ZJ  A 502 (-4.4A)
9ZJ  A 502 (-2.6A)
9ZJ  A 502 ( 4.5A)
9ZJ  A 502 ( 3.5A)
9ZJ  A 502 ( 3.9A)
 0.71A 3t3sA-5wbgA:
56.2		 3t3sA-5wbgA:
65.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wbg CYTOCHROME P450 2B6

(Homo sapiens) 		no annotation 5 PHE A 115
PHE A 206
PHE A 297
ALA A 298
THR A 302
 9ZJ  A 502 (-4.7A)
9ZJ  A 502 (-2.6A)
9ZJ  A 502 ( 4.5A)
9ZJ  A 502 ( 3.5A)
9ZJ  A 502 ( 3.9A)
 1.29A 3t3sA-5wbgA:
56.2		 3t3sA-5wbgA:
65.00
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.
5x6s ACETYLXYLAN ESTERASE
A

(Aspergillus
awamori) 		PF10503
(Esterase_phd) 		5 PHE A  62
ALA A  54
PHE A 272
ALA A  36
THR A 116
 None
MES  A 303 ( 4.5A)
None
None
None
 1.47A 3t3sA-5x6sA:
undetectable		 3t3sA-5x6sA:
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.
6f6e RIBONUCLEOTIDE
REDUCTASE SMALL
SUBUNIT

(Geobacillus
kaustophilus) 		no annotation 5 ALA A 142
PHE A 208
ALA A 159
THR A 212
LEU A 146
 None
 1.20A 3t3sA-6f6eA:
undetectable		 3t3sA-6f6eA:
11.03