SIMILAR PATTERNS OF AMINO ACIDS FOR 3U9F_O_CLMO221_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.
1aux SYNAPSIN IA

(Bos taurus) 		PF02078
(Synapsin)
PF02750
(Synapsin_C) 		5 SER A 390
SER A 212
VAL A 143
PHE A 130
VAL A 410
 None
 1.33A 3u9fM-1auxA:
0.0
3u9fO-1auxA:
0.0		 3u9fM-1auxA:
19.29
3u9fO-1auxA:
19.29
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.
1c8u ACYL-COA
THIOESTERASE II

(Escherichia
coli) 		PF13622
(4HBT_3) 		5 PHE A 207
TYR A 247
PHE A 265
PHE A  60
VAL A  40
 None
 1.50A 3u9fM-1c8uA:
0.0
3u9fO-1c8uA:
0.0		 3u9fM-1c8uA:
23.39
3u9fO-1c8uA:
23.39
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.
1cns CHITINASE

(Hordeum vulgare) 		PF00182
(Glyco_hydro_19) 		5 PHE A  11
SER A  65
TYR A  84
VAL A   2
PHE A  44
 None
 1.39A 3u9fM-1cnsA:
undetectable
3u9fO-1cnsA:
undetectable		 3u9fM-1cnsA:
19.92
3u9fO-1cnsA:
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.
1dxj CLASS II CHITINASE

(Canavalia
ensiformis) 		PF00182
(Glyco_hydro_19) 		5 PHE A  12
SER A  66
TYR A  85
VAL A   3
PHE A  45
 None
 1.43A 3u9fM-1dxjA:
undetectable
3u9fO-1dxjA:
undetectable		 3u9fM-1dxjA:
21.13
3u9fO-1dxjA:
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.
1ghs 1,3-BETA-GLUCANASE

(Hordeum vulgare) 		PF00332
(Glyco_hydro_17) 		5 PHE A 187
HIS A 257
SER A 232
TYR A 250
VAL A 210
 None
 1.42A 3u9fM-1ghsA:
0.0
3u9fO-1ghsA:
0.0		 3u9fM-1ghsA:
21.97
3u9fO-1ghsA:
21.97
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.
1gkr NON-ATP DEPENDENT
L-SELECTIVE
HYDANTOINASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		5 PHE A 158
SER A 148
VAL A 144
PHE A 372
VAL A 181
 None
KCX  A 147 ( 3.3A)
None
None
KCX  A 147 ( 4.7A)
 1.49A 3u9fM-1gkrA:
0.0
3u9fO-1gkrA:
0.0		 3u9fM-1gkrA:
18.48
3u9fO-1gkrA:
18.48
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.
1laj CAPSID PROTEIN

(Tomato aspermy
virus) 		PF00760
(Cucumo_coat) 		5 PHE A 117
SER A 119
VAL A 149
PHE A 143
VAL A 186
 None
 1.40A 3u9fM-1lajA:
0.0
3u9fO-1lajA:
0.0		 3u9fM-1lajA:
21.48
3u9fO-1lajA:
21.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pd5 CHLORAMPHENICOL
ACETYLTRANSFERASE

(Escherichia
coli) 		PF00302
(CAT) 		9 THR A  93
PHE A 102
SER A 104
TYR A 133
PHE A 134
SER A 146
VAL A 160
PHE A 166
VAL A 170
 None
 0.64A 3u9fM-1pd5A:
34.5
3u9fO-1pd5A:
34.2		 3u9fM-1pd5A:
100.00
3u9fO-1pd5A:
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.
2fuq HEPARINASE II
PROTEIN

(Pedobacter
heparinus) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		5 PHE A 245
HIS A 252
TYR A 246
PHE A 281
SER A 204
 None
 1.49A 3u9fM-2fuqA:
0.0
3u9fO-2fuqA:
0.1		 3u9fM-2fuqA:
15.06
3u9fO-2fuqA:
15.06
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.
2ggz GUANYLYL
CYCLASE-ACTIVATING
PROTEIN 3

(Homo sapiens) 		PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		5 PHE A 174
THR A  62
PHE A  63
VAL A 168
PHE A 154
 None
 1.05A 3u9fM-2ggzA:
0.0
3u9fO-2ggzA:
0.0		 3u9fM-2ggzA:
21.22
3u9fO-2ggzA:
21.22
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.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 SER A 407
PHE A 374
SER A 409
VAL A 360
VAL A 290
 None
 1.49A 3u9fM-2htvA:
0.0
3u9fO-2htvA:
0.0		 3u9fM-2htvA:
20.21
3u9fO-2htvA:
20.21
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.
2yev CYTOCHROME C OXIDASE
SUBUNIT 2

(Thermus
thermophilus) 		PF00034
(Cytochrom_C)
PF00116
(COX2)
PF02790
(COX2_TM) 		5 THR B 273
SER B 274
VAL B 121
PHE B 164
VAL B 212
 None
 1.38A 3u9fM-2yevB:
undetectable
3u9fO-2yevB:
undetectable		 3u9fM-2yevB:
20.23
3u9fO-2yevB:
20.23
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.
3a9v 4-COUMARATE--COA
LIGASE

(Populus
tomentosa) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PHE A 442
PHE A 233
PHE A 107
SER A  83
VAL A 281
 None
 1.36A 3u9fM-3a9vA:
undetectable
3u9fO-3a9vA:
undetectable		 3u9fM-3a9vA:
16.42
3u9fO-3a9vA:
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.
3be7 ZN-DEPENDENT
ARGININE
CARBOXYPEPTIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 THR A 349
SER A 345
SER A  61
VAL A 268
PHE A 319
 None
 1.44A 3u9fM-3be7A:
undetectable
3u9fO-3be7A:
undetectable		 3u9fM-3be7A:
19.02
3u9fO-3be7A:
19.02
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.
3dqq PUTATIVE TRNA
SYNTHASE

(Salmonella
enterica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 PHE A 341
THR A 318
SER A 317
VAL A 254
VAL A 267
 None
 1.03A 3u9fM-3dqqA:
undetectable
3u9fO-3dqqA:
undetectable		 3u9fM-3dqqA:
19.33
3u9fO-3dqqA:
19.33
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.
3nzq BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF02784
(Orn_Arg_deC_N) 		5 PHE A  92
TYR A  49
PHE A 563
VAL A 585
VAL A  76
 None
 1.38A 3u9fM-3nzqA:
undetectable
3u9fO-3nzqA:
undetectable		 3u9fM-3nzqA:
14.41
3u9fO-3nzqA:
14.41
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT J
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N

(Escherichia
coli;
Escherichia
coli) 		no annotation
no annotation 		5 SER N  84
PHE N 241
SER N  41
VAL J 153
VAL N  21
 None
 1.34A 3u9fM-3rkoN:
undetectable
3u9fO-3rkoN:
undetectable		 3u9fM-3rkoN:
20.04
3u9fO-3rkoN:
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.
3sci SPIKE GLYCOPROTEIN

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF09408
(Spike_rec_bind) 		5 PHE E 364
PHE E 329
SER E 353
VAL E 369
PHE E 501
 None
 1.08A 3u9fM-3sciE:
undetectable
3u9fO-3sciE:
undetectable		 3u9fM-3sciE:
20.95
3u9fO-3sciE:
20.95
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.
3vvj OVALBUMIN

(Dromaius
novaehollandiae) 		PF00079
(Serpin) 		5 THR A 344
SER A 345
PHE A 161
SER A  31
VAL A 297
 None
 1.46A 3u9fM-3vvjA:
undetectable
3u9fO-3vvjA:
undetectable		 3u9fM-3vvjA:
17.09
3u9fO-3vvjA:
17.09
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.
3w3e COTYLEDONEOUS
YIELDIN-LIKE PROTEIN

(Vigna
unguiculata) 		PF00182
(Glyco_hydro_19) 		5 PHE A  12
SER A  66
TYR A  85
VAL A   3
PHE A  45
 None
 1.46A 3u9fM-3w3eA:
undetectable
3u9fO-3w3eA:
undetectable		 3u9fM-3w3eA:
22.47
3u9fO-3w3eA:
22.47
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.
3zph CHALCONE ISOMERASE

(Eubacterium
ramulus) 		no annotation 5 PHE A  50
SER A  37
TYR A  48
PHE A  41
PHE A 135
 None
None
None
None
GOL  A 301 ( 4.9A)
 1.40A 3u9fM-3zphA:
undetectable
3u9fO-3zphA:
undetectable		 3u9fM-3zphA:
22.18
3u9fO-3zphA:
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.
4c2f CARBOXY-TERMINAL
PROCESSING PROTEASE
CTPB

(Bacillus
subtilis) 		PF01471
(PG_binding_1)
PF03572
(Peptidase_S41)
PF13180
(PDZ_2) 		5 PHE A 131
THR A 221
SER A 220
PHE A 203
SER A 223
 None
 1.30A 3u9fM-4c2fA:
undetectable
3u9fO-4c2fA:
undetectable		 3u9fM-4c2fA:
20.19
3u9fO-4c2fA:
20.19
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.
4itx CYSTATHIONINE
BETA-LYASE METC

(Escherichia
coli) 		PF01053
(Cys_Met_Meta_PP) 		5 TYR A 327
PHE A 331
VAL A 286
PHE A 311
VAL A 273
 None
 1.29A 3u9fM-4itxA:
undetectable
3u9fO-4itxA:
2.5		 3u9fM-4itxA:
22.00
3u9fO-4itxA:
22.00
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.
4ixu ARGINASE-2,
MITOCHONDRIAL

(Homo sapiens) 		PF00491
(Arginase) 		5 HIS A 160
THR A 154
PHE A 166
SER A 156
VAL A  87
 38I  A 406 (-3.5A)
None
None
38I  A 406 (-2.7A)
None
 1.35A 3u9fM-4ixuA:
undetectable
3u9fO-4ixuA:
undetectable		 3u9fM-4ixuA:
22.92
3u9fO-4ixuA:
22.92
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.
4j0m SERINE/THREONINE-PRO
TEIN KINASE
BRI1-LIKE 1

(Arabidopsis
thaliana) 		PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 THR A  92
SER A  45
PHE A  41
SER A 116
VAL A 146
 None
 1.16A 3u9fM-4j0mA:
undetectable
3u9fO-4j0mA:
undetectable		 3u9fM-4j0mA:
12.64
3u9fO-4j0mA:
12.64
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.
4qpv UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF07901
(DUF1672) 		5 PHE A 309
HIS A 278
VAL A 269
PHE A 266
VAL A 166
 None
 1.42A 3u9fM-4qpvA:
undetectable
3u9fO-4qpvA:
undetectable		 3u9fM-4qpvA:
20.07
3u9fO-4qpvA:
20.07
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.
5d7z LACTOYLGLUTATHIONE
LYASE

(Zea mays) 		PF00903
(Glyoxalase) 		5 THR A 231
TYR A 198
SER A 237
PHE A 171
VAL A 241
 None
 1.45A 3u9fM-5d7zA:
undetectable
3u9fO-5d7zA:
undetectable		 3u9fM-5d7zA:
21.07
3u9fO-5d7zA:
21.07
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.
5hkj COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
A,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
C,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
B

(Homo sapiens) 		PF00386
(C1q) 		5 THR A 366
SER A 229
VAL A  97
PHE A 265
VAL A 194
 None
 1.26A 3u9fM-5hkjA:
undetectable
3u9fO-5hkjA:
undetectable		 3u9fM-5hkjA:
20.76
3u9fO-5hkjA:
20.76
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.
5sy5 NEURONAL PAS
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF08447
(PAS_3) 		5 THR B 315
SER B 338
TYR B 340
SER B 311
VAL B 399
 None
 1.37A 3u9fM-5sy5B:
undetectable
3u9fO-5sy5B:
undetectable		 3u9fM-5sy5B:
17.78
3u9fO-5sy5B:
17.78
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.
6coy CHLORIDE CHANNEL
PROTEIN 1

(Homo sapiens) 		no annotation 5 THR A 539
SER A 537
TYR A 578
SER A 541
PHE A 279
 None
 1.36A 3u9fM-6coyA:
undetectable
3u9fO-6coyA:
undetectable		 3u9fM-6coyA:
undetectable
3u9fO-6coyA:
undetectable