SIMILAR PATTERNS OF AMINO ACIDS FOR 2AOW_A_THAA400_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.
1h81 POLYAMINE OXIDASE

(Zea mays) 		PF01593
(Amino_oxidase) 		4 PHE A 318
GLU A 317
GLN A 338
TRP A  60
 None
 1.29A 2aowA-1h81A:
0.7		 2aowA-1h81A:
18.72
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.
1hkg HEXOKINASE A

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 PHE A 137
GLU A 139
GLN A 154
TRP A 109
 None
 1.46A 2aowA-1hkgA:
undetectable		 2aowA-1hkgA:
17.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		7 PHE A  22
GLU A  28
GLN A 143
TYR A 147
TRP A 179
TRP A 183
GLU A 246
 None
None
None
QUN  A 500 ( 3.6A)
QUN  A 500 (-3.6A)
QUN  A 500 (-4.9A)
QUN  A 500 (-3.9A)
 0.74A 2aowA-1jqeA:
40.2		 2aowA-1jqeA:
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.
1qnr ENDO-1,4-B-D-MANNANA
SE

(Trichoderma
reesei) 		PF00150
(Cellulase) 		4 GLN A 307
TYR A 243
TRP A  56
GLU A 169
 None
GOL  A 410 (-3.6A)
GOL  A 411 (-4.0A)
MAB  A 401 ( 2.8A)
 1.23A 2aowA-1qnrA:
undetectable		 2aowA-1qnrA:
22.99
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.
1rh9 ENDO-BETA-MANNANASE

(Solanum
lycopersicum) 		PF00150
(Cellulase) 		4 GLN A 361
TYR A 279
TRP A  88
GLU A 204
 None
 1.29A 2aowA-1rh9A:
undetectable		 2aowA-1rh9A:
22.83
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.
1vpr LUCIFERASE

(Lingulodinium
polyedra) 		PF10284
(Luciferase_3H)
PF10285
(Luciferase_cat) 		4 PHE A1129
GLU A1105
TYR A1168
TRP A1117
 None
 1.46A 2aowA-1vprA:
undetectable		 2aowA-1vprA:
20.94
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.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		4 PHE A  32
GLU A  34
GLN A 255
GLU A 373
 None
 1.16A 2aowA-1wacA:
undetectable		 2aowA-1wacA:
17.01
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.
1x1f SIGNAL-TRANSDUCING
ADAPTOR PROTEIN 1

(Homo sapiens) 		PF00169
(PH) 		4 PHE A 107
GLU A 103
GLN A 126
GLU A 132
 None
 1.11A 2aowA-1x1fA:
undetectable		 2aowA-1x1fA:
16.22
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.
1yem CONSERVED
HYPOTHETICAL PROTEIN
PFU-838710-001

(Pyrococcus
furiosus) 		PF01928
(CYTH) 		4 GLU A  29
GLN A  31
TYR A 159
GLU A   4
 None
None
UNX  A 202 ( 4.5A)
UNX  A 204 ( 4.9A)
 1.01A 2aowA-1yemA:
undetectable		 2aowA-1yemA:
19.19
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.
1yis ADENYLOSUCCINATE
LYASE

(Caenorhabditis
elegans) 		PF00206
(Lyase_1) 		4 PHE A 454
GLU A 458
GLN A 180
GLU A 174
 None
 1.41A 2aowA-1yisA:
undetectable		 2aowA-1yisA:
22.29
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.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 PHE A 132
GLU A 174
TRP A 189
GLU A 229
 None
 1.48A 2aowA-2htvA:
undetectable		 2aowA-2htvA:
20.45
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.
2q3r 12-OXOPHYTODIENOATE
REDUCTASE 1

(Arabidopsis
thaliana) 		PF00724
(Oxidored_FMN) 		4 PHE A 103
TYR A 362
TRP A  89
GLU A  63
 None
 1.38A 2aowA-2q3rA:
undetectable		 2aowA-2q3rA:
23.47
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.
2zsk 226AA LONG
HYPOTHETICAL
ASPARTATE RACEMASE

(Pyrococcus
horikoshii) 		PF01177
(Asp_Glu_race) 		4 PHE A 210
GLU A 208
GLN A 202
GLU A 214
 None
 1.47A 2aowA-2zskA:
undetectable		 2aowA-2zskA:
22.40
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.
3fby CARTILAGE OLIGOMERIC
MATRIX PROTEIN

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		4 PHE A 586
GLN A 616
TRP A 614
GLU A 701
 None
CA  A 828 (-3.0A)
None
None
 1.45A 2aowA-3fbyA:
undetectable		 2aowA-3fbyA:
16.58
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.
3fot 15-O-ACETYLTRANSFERA
SE

(Fusarium
sporotrichioides) 		PF07428
(Tri3) 		4 PHE A 428
GLN A 471
TYR A  51
GLU A 417
 None
 1.27A 2aowA-3fotA:
undetectable		 2aowA-3fotA:
20.58
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9

(Thermus
thermophilus) 		PF12838
(Fer4_7) 		4 PHE 9 119
GLU 9 120
GLN 9 146
TYR 9 131
 None
 1.28A 2aowA-3i9v9:
undetectable		 2aowA-3i9v9:
20.75
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.
3mes CHOLINE KINASE

(Cryptosporidium
parvum) 		PF01633
(Choline_kinase) 		4 GLN A 270
TRP A 371
TRP A 374
GLU A 287
 PT3  A 428 (-3.6A)
DME  A 427 (-3.5A)
DME  A 427 (-4.8A)
PT3  A 428 ( 4.0A)
 1.40A 2aowA-3mesA:
undetectable		 2aowA-3mesA:
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.
3sdq ALPHA-BISABOLENE
SYNTHASE

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 PHE A 555
GLU A 782
GLN A 669
TYR A 637
 None
 1.00A 2aowA-3sdqA:
undetectable		 2aowA-3sdqA:
15.81
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.
3u5u RAUCAFFRICINE-O-BETA
-D-GLUCOSIDASE

(Rauvolfia
serpentina) 		PF00232
(Glyco_hydro_1) 		4 GLU A 420
GLN A 186
TYR A 200
TRP A 392
 None
 1.29A 2aowA-3u5uA:
1.3		 2aowA-3u5uA:
20.47
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.
3wfl BETA-MANNANASE

(Talaromyces
trachyspermus) 		PF00150
(Cellulase) 		4 GLN A 340
TYR A 276
TRP A  88
GLU A 201
 None
TRS  A 402 (-4.5A)
GOL  A 404 (-4.0A)
TRS  A 402 (-2.7A)
 1.25A 2aowA-3wflA:
1.8		 2aowA-3wflA:
20.64
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.
3wh9 ENDO-BETA-1,4-MANNAN
ASE

(Aspergillus
niger) 		PF00150
(Cellulase) 		4 GLN A 307
TYR A 243
TRP A  54
GLU A 168
 None
TRS  A 404 ( 4.5A)
None
TRS  A 404 (-2.9A)
 1.34A 2aowA-3wh9A:
1.9		 2aowA-3wh9A:
21.75
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.
3ziz GH5
ENDO-BETA-1,4-MANNAN
ASE

(Podospora
anserina) 		PF00150
(Cellulase) 		4 GLN A 309
TYR A 243
TRP A  56
GLU A 169
 None
TRS  A1352 ( 4.5A)
GOL  A1351 (-3.9A)
TRS  A1352 (-2.8A)
 1.30A 2aowA-3zizA:
1.7		 2aowA-3zizA:
20.92
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.
4awe ENDO-BETA-D-1,4-MANN
ANASE

(Neurospora
sitophila) 		PF00150
(Cellulase) 		4 GLN A 345
TYR A 268
TRP A  57
GLU A 181
 CL  A1394 (-3.7A)
TRS  A1391 (-4.4A)
None
TRS  A1391 ( 2.7A)
 1.28A 2aowA-4aweA:
1.4		 2aowA-4aweA:
19.26
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.
4cih LISTERIA NUCLEAR
TARGETED PROTEIN A

(Listeria
monocytogenes) 		no annotation 4 PHE A  74
GLU A  78
TYR A 173
GLU A 146
 None
 1.37A 2aowA-4cihA:
undetectable		 2aowA-4cihA:
21.40
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.
4gdl AUTOPHAGY PROTEIN 5
UBIQUITIN-LIKE
PROTEIN ATG12

(Homo sapiens) 		PF04106
(APG5)
PF04110
(APG12) 		4 PHE A 123
GLU B 131
GLN A 114
GLU A 121
 None
 1.30A 2aowA-4gdlA:
undetectable		 2aowA-4gdlA:
16.55
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.
4h41 PUTATIVE
ALPHA-L-FUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF14488
(DUF4434)
PF17134
(DUF5109) 		4 GLU A 301
GLN A 269
TYR A 187
TRP A 153
 UNL  A 401 ( 4.2A)
UNL  A 401 ( 3.7A)
None
1PE  A 406 (-3.1A)
 1.22A 2aowA-4h41A:
2.1		 2aowA-4h41A:
20.90
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.
4hcx ISOCITRATE
DEHYDROGENASE [NADP]

(Mycobacterium
tuberculosis) 		PF00180
(Iso_dh) 		4 PHE A 337
GLU A 363
GLN A 344
TYR A 202
 None
 1.40A 2aowA-4hcxA:
undetectable		 2aowA-4hcxA:
19.71
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.
4jnc BIFUNCTIONAL EPOXIDE
HYDROLASE 2

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		4 PHE A 409
GLU A 269
TYR A 276
GLU A 446
 None
 1.46A 2aowA-4jncA:
2.3		 2aowA-4jncA:
19.94
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.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		4 GLU A 475
GLN A 413
TYR A 378
GLU A 389
 BGC  A 801 (-3.3A)
None
None
None
 1.36A 2aowA-4ktpA:
undetectable		 2aowA-4ktpA:
16.43
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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 PHE B 513
GLU B 536
GLN B 255
TRP B 531
 None
 1.24A 2aowA-4l37B:
undetectable		 2aowA-4l37B:
16.96
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.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV

(Bacteroides
ovatus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 PHE A 604
GLU A 575
TYR A 313
TRP A 632
 None
 0.98A 2aowA-4q1vA:
undetectable		 2aowA-4q1vA:
18.66
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.
4v06 TRYPTOPHAN
5-HYDROXYLASE 2

(Homo sapiens) 		PF00351
(Biopterin_H) 		4 PHE A 425
GLU A 238
GLN A 369
GLU A 427
 None
 1.17A 2aowA-4v06A:
undetectable		 2aowA-4v06A:
23.20
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.
5all SOLUBLE EPOXIDE
HYDROLASE

(Homo sapiens) 		PF00561
(Abhydrolase_1)
PF13419
(HAD_2) 		4 PHE A 409
GLU A 269
TYR A 276
GLU A 446
 None
None
None
SO4  A1548 (-3.4A)
 1.48A 2aowA-5allA:
2.5		 2aowA-5allA:
18.67
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.
5gn1 ATP-DEPENDENT
HELICASE FUN30

(Saccharomyces
cerevisiae) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		4 GLN A 939
TYR A 885
TRP A 945
GLU A 944
 None
 1.47A 2aowA-5gn1A:
undetectable		 2aowA-5gn1A:
24.23
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.
5uy3 ANTIBODY PGT144 FAB
HEAVY CHAIN
ANTIBODY PGT144 FAB
LIGHT CHAIN

(Homo sapiens) 		no annotation 4 PHE H  69
TRP H  47
TRP L  96
GLU H  56
 None
 1.43A 2aowA-5uy3H:
undetectable		 2aowA-5uy3H:
19.00
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 PHE B 325
GLN B 270
TYR B 250
GLU B 312
 None
 1.47A 2aowA-5xogB:
undetectable		 2aowA-5xogB:
12.96