SIMILAR PATTERNS OF AMINO ACIDS FOR 1UPF_D_URFD999_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.
1d2f MALY PROTEIN

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		4 MET A 306
ALA A 303
TYR A 301
ILE A 302
 None
 1.26A 1upfD-1d2fA:
2.4		 1upfD-1d2fA:
19.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1i5e URACIL
PHOSPHORIBOSYLTRANSF
ERASE

([Bacillus]
caldolyticus) 		PF14681
(UPRTase) 		4 MET A 133
ALA A 135
TYR A 193
ILE A 194
 U5P  A 250 (-4.7A)
U5P  A 250 (-3.2A)
U5P  A 250 (-4.5A)
U5P  A 250 (-4.4A)
 0.52A 1upfD-1i5eA:
28.4		 1upfD-1i5eA:
36.16
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.
1kke SIGMA 1 PROTEIN

(Mammalian
orthoreovirus) 		PF01664
(Reo_sigma1) 		4 MET A 309
ALA A 301
TYR A 298
ILE A 300
 None
 1.18A 1upfD-1kkeA:
undetectable		 1upfD-1kkeA:
21.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o5o URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Thermotoga
maritima) 		PF14681
(UPRTase) 		4 MET A 133
ALA A 135
TYR A 193
ILE A 194
 U5P  A 600 (-4.5A)
U5P  A 600 (-3.4A)
U5P  A 600 (-4.4A)
U5P  A 600 (-4.0A)
 0.47A 1upfD-1o5oA:
27.6		 1upfD-1o5oA:
36.68
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.
1rhc F420-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Methanoculleus
thermophilus) 		PF00296
(Bac_luciferase) 		4 MET A  57
ALA A  60
TYR A  96
ILE A  69
 None
 1.48A 1upfD-1rhcA:
undetectable		 1upfD-1rhcA:
21.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v9s URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Thermus
thermophilus) 		PF14681
(UPRTase) 		4 MET A 132
ALA A 134
TYR A 192
ILE A 193
 None
SO4  A 517 (-3.3A)
None
None
 0.45A 1upfD-1v9sA:
27.7		 1upfD-1v9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xtt PROBABLE URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Sulfolobus
solfataricus) 		PF14681
(UPRTase) 		4 MET A 142
ALA A 144
TYR A 202
ILE A 203
 U5P  A1250 (-4.5A)
U5P  A1250 (-3.4A)
U5P  A1250 (-4.4A)
U5P  A1250 (-4.1A)
 0.54A 1upfD-1xttA:
24.7		 1upfD-1xttA:
34.05
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.
2b4m GLYCINE
BETAINE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF04069
(OpuAC) 		4 MET A 209
ALA A 212
TYR A 237
ILE A 213
 None
 1.36A 1upfD-2b4mA:
undetectable		 1upfD-2b4mA:
22.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2e55 URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Aquifex
aeolicus) 		PF14681
(UPRTase) 		4 MET A 130
ALA A 132
TYR A 190
ILE A 191
 None
SO4  A1301 (-3.1A)
None
None
 0.91A 1upfD-2e55A:
26.4		 1upfD-2e55A:
32.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ehj URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Escherichia
coli) 		PF14681
(UPRTase) 		4 MET A 132
ALA A 134
TYR A 192
ILE A 193
 None
SO4  A 210 (-3.5A)
None
None
 0.65A 1upfD-2ehjA:
27.6		 1upfD-2ehjA:
33.33
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.
2lwj TRANSCRIPTIONAL
REGULATOR, CARD
FAMILY

(Myxococcus
xanthus) 		PF02559
(CarD_CdnL_TRCF) 		4 MET A 133
ALA A 137
TYR A  98
ILE A 102
 None
 1.46A 1upfD-2lwjA:
undetectable		 1upfD-2lwjA:
22.75
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.
2n8y ALPHA-ACTININ-1

(Homo sapiens) 		PF00036
(EF-hand_1)
PF08726
(EFhand_Ca_insen) 		4 MET A 864
ALA A 862
TYR A 859
ILE A 861
 None
 1.09A 1upfD-2n8yA:
undetectable		 1upfD-2n8yA:
21.33
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.
2oox HYPOTHETICAL PROTEIN
C1556.08C IN
CHROMOSOME I

(Schizosaccharomyces
pombe) 		no annotation 4 MET G 200
ALA G 198
TYR G 232
ILE G 221
 None
 0.96A 1upfD-2ooxG:
undetectable		 1upfD-2ooxG:
21.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dmp URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Burkholderia
pseudomallei) 		PF14681
(UPRTase) 		4 MET A 137
ALA A 139
TYR A 199
ILE A 200
 None
 0.48A 1upfD-3dmpA:
25.4		 1upfD-3dmpA:
37.67
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.
3jq0 SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 MET A 218
ALA A 214
TYR A 395
ILE A 275
 None
 1.08A 1upfD-3jq0A:
undetectable		 1upfD-3jq0A:
17.45
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) 		4 MET A 228
ALA A 224
TYR A 350
ILE A 273
 None
 1.02A 1upfD-3l22A:
undetectable		 1upfD-3l22A:
18.22
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.
3s6x OUTER CAPSID PROTEIN
SIGMA-1

(Mammalian
orthoreovirus) 		PF01664
(Reo_sigma1) 		4 MET A 309
ALA A 301
TYR A 298
ILE A 300
 None
 1.14A 1upfD-3s6xA:
undetectable		 1upfD-3s6xA:
20.63
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.
3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00581
(Rhodanese)
PF00753
(Lactamase_B) 		4 MET A  68
ALA A  52
TYR A  38
ILE A  49
 None
 1.45A 1upfD-3tp9A:
undetectable		 1upfD-3tp9A:
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.
3vb9 UNCHARACTERIZED
PROTEIN VPA0735

(Vibrio
parahaemolyticus) 		PF06742
(DUF1214)
PF06863
(DUF1254) 		4 MET A 134
ALA A 132
TYR A 109
ILE A 190
 None
MG  A 501 ( 3.8A)
None
None
 1.24A 1upfD-3vb9A:
undetectable		 1upfD-3vb9A:
20.54
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.
4ehi BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Campylobacter
jejuni) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		4 MET A 186
ALA A 183
TYR A 181
ILE A 182
 None
 1.31A 1upfD-4ehiA:
3.4		 1upfD-4ehiA:
17.38
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.
4l7t NANU SIALIC ACID
BINDING PROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 MET A 211
ALA A 207
TYR A 388
ILE A 268
 None
 1.08A 1upfD-4l7tA:
undetectable		 1upfD-4l7tA:
17.30
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.
4mje PROBABLE
GLUTAREDOXIN SSR2061

(Synechocystis
sp. PCC 6803) 		PF00462
(Glutaredoxin) 		4 MET A  58
ALA A  54
TYR A  46
ILE A  48
 None
 1.19A 1upfD-4mjeA:
undetectable		 1upfD-4mjeA:
17.56
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.
4oon PENICILLIN-BINDING
PROTEIN 1A

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		4 MET A 267
ALA A 265
TYR A 263
ILE A 264
 None
 0.92A 1upfD-4oonA:
undetectable		 1upfD-4oonA:
16.23
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.
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		4 MET A 272
ALA A 270
TYR A 268
ILE A 269
 None
 1.05A 1upfD-4wn9A:
undetectable		 1upfD-4wn9A:
17.93
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.
4x0r INTERFERON-INDUCED
GTP-BINDING PROTEIN
MX2

(Homo sapiens) 		no annotation 4 MET B 155
ALA B 152
TYR B 212
ILE B 209
 None
 0.89A 1upfD-4x0rB:
undetectable		 1upfD-4x0rB:
21.45
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.
5awp ISOMALTODEXTRANASE

(Arthrobacter
globiformis) 		no annotation 4 MET A 314
ALA A 342
TYR A  36
ILE A 341
 None
 1.01A 1upfD-5awpA:
undetectable		 1upfD-5awpA:
15.80
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.
5dym PADR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Clostridioides
difficile) 		PF03551
(PadR) 		4 MET A  47
ALA A  50
TYR A  77
ILE A  16
 None
 1.25A 1upfD-5dymA:
undetectable		 1upfD-5dymA:
20.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e38 URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Mycobacterium
tuberculosis) 		PF14681
(UPRTase) 		4 MET A 131
ALA A 133
TYR A 191
ILE A 192
 None
 0.50A 1upfD-5e38A:
25.4		 1upfD-5e38A:
33.93
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.
5eqv BIFUNCTIONAL
2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
PERIPLASMIC
PRECURSOR PROTEIN

(Yersinia pestis) 		PF00149
(Metallophos) 		4 MET A 262
ALA A 230
TYR A 184
ILE A 231
 None
 1.50A 1upfD-5eqvA:
undetectable		 1upfD-5eqvA:
20.69
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.
5ivl DEAD-BOX
ATP-DEPENDENT RNA
HELICASE CSHA

(Geobacillus
stearothermophilus) 		no annotation 4 MET B  20
ALA B  16
TYR B  91
ILE B  93
 None
 1.34A 1upfD-5ivlB:
4.1		 1upfD-5ivlB:
21.06
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.
5j3n GREEN FLUORESCENT
PROTEIN,HSDR

(Aequorea
victoria;
Escherichia
coli) 		PF01353
(GFP)
PF12008
(EcoR124_C) 		4 MET A 159
ALA A 169
TYR A 157
ILE A 170
 None
 1.32A 1upfD-5j3nA:
undetectable		 1upfD-5j3nA:
20.54
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.
5muw PACKAGING ENZYME P4

(Pseudomonas
virus phi6) 		PF11602
(NTPase_P4) 		4 MET A  49
ALA A  46
TYR A  44
ILE A  45
 None
 1.27A 1upfD-5muwA:
undetectable		 1upfD-5muwA:
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.
5nqf APICAL MEMBRANE
ANTIGEN 1
RHOPTRY NECK PROTEIN
2

(Plasmodium
falciparum;
Plasmodium
vivax) 		PF02430
(AMA-1)
no annotation 		4 MET B2045
ALA A 253
TYR A 251
ILE A 252
 MET  B2045 ( 0.0A)
ALA  A 253 ( 0.0A)
TYR  A 251 ( 1.3A)
ILE  A 252 ( 0.7A)
 1.27A 1upfD-5nqfB:
undetectable		 1upfD-5nqfB:
9.82
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.
5wsg PRE-MRNA-SPLICING
FACTOR
CLF1,PRE-MRNA-SPLICI
NG FACTOR CLF1,CLF1

(Saccharomyces
cerevisiae) 		no annotation 4 MET d 122
ALA d 118
TYR d 105
ILE d 106
 None
 1.41A 1upfD-5wsgd:
undetectable		 1upfD-5wsgd:
20.42