SIMILAR PATTERNS OF AMINO ACIDS FOR 3U9F_F_CLMF221

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.
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 3u9fD-1c8uA:
0.0
3u9fF-1c8uA:
0.0		 3u9fD-1c8uA:
23.39
3u9fF-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.
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
 1.47A 3u9fD-1ghsA:
0.0
3u9fF-1ghsA:
0.0		 3u9fD-1ghsA:
21.97
3u9fF-1ghsA:
21.97
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) 		8 THR A  93
SER A 104
TYR A 133
PHE A 134
SER A 146
VAL A 160
PHE A 166
VAL A 170
 None
 0.64A 3u9fD-1pd5A:
34.4
3u9fF-1pd5A:
34.3		 3u9fD-1pd5A:
100.00
3u9fF-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.
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
 1.43A 3u9fD-2yevB:
0.0
3u9fF-2yevB:
0.0		 3u9fD-2yevB:
20.23
3u9fF-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.
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
 1.07A 3u9fD-3dqqA:
0.0
3u9fF-3dqqA:
0.0		 3u9fD-3dqqA:
19.33
3u9fF-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.
3hhs PHENOLOXIDASE
SUBUNIT 1

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 THR B 447
PHE B 483
SER B 671
VAL B 248
VAL B 600
 None
 1.23A 3u9fD-3hhsB:
0.0
3u9fF-3hhsB:
0.0		 3u9fD-3hhsB:
14.99
3u9fF-3hhsB:
14.99
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
 1.41A 3u9fD-3nzqA:
0.0
3u9fF-3nzqA:
0.0		 3u9fD-3nzqA:
14.41
3u9fF-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
 1.40A 3u9fD-3rkoN:
0.0
3u9fF-3rkoN:
0.0		 3u9fD-3rkoN:
20.04
3u9fF-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
 1.17A 3u9fD-3sciE:
0.0
3u9fF-3sciE:
0.0		 3u9fD-3sciE:
20.95
3u9fF-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.
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)
 1.36A 3u9fD-3zphA:
undetectable
3u9fF-3zphA:
undetectable		 3u9fD-3zphA:
22.18
3u9fF-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.
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
 1.34A 3u9fD-4itxA:
2.5
3u9fF-4itxA:
undetectable		 3u9fD-4itxA:
22.00
3u9fF-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.
4ug4 CHOLINE SULFATASE

(Sinorhizobium
meliloti) 		PF00884
(Sulfatase)
PF12411
(Choline_sulf_C) 		5 THR A  70
SER A  68
PHE A 454
SER A  60
PHE A 312
 None
 1.34A 3u9fD-4ug4A:
undetectable
3u9fF-4ug4A:
undetectable		 3u9fD-4ug4A:
16.54
3u9fF-4ug4A:
16.54
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.
5d7z LACTOYLGLUTATHIONE
LYASE

(Zea mays) 		PF00903
(Glyoxalase) 		5 THR A 231
TYR A 198
SER A 237
PHE A 171
VAL A 241
 None
 1.44A 3u9fD-5d7zA:
undetectable
3u9fF-5d7zA:
undetectable		 3u9fD-5d7zA:
21.07
3u9fF-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.
5w19 TRYPTOPHANASE

(Proteus
vulgaris) 		no annotation 5 THR A 261
SER A 224
TYR A 254
VAL A 209
PHE A 167
 None
 1.44A 3u9fD-5w19A:
undetectable
3u9fF-5w19A:
undetectable		 3u9fD-5w19A:
undetectable
3u9fF-5w19A:
undetectable
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 3u9fD-6coyA:
undetectable
3u9fF-6coyA:
undetectable		 3u9fD-6coyA:
undetectable
3u9fF-6coyA:
undetectable