SIMILAR PATTERNS OF AMINO ACIDS FOR 2TOD_A_DMOA700

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.
1l0b BRCA1

(Rattus
norvegicus) 		PF00533
(BRCT) 		4 TYR A1649
ASP A1685
PHE A1650
ASP A1785
 None
 1.40A 2todA-1l0bA:
0.0
2todB-1l0bA:
undetectable		 2todA-1l0bA:
19.91
2todB-1l0bA:
19.91
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.
1m1j FIBRINOGEN ALPHA
SUBUNIT

(Gallus gallus) 		PF08702
(Fib_alpha) 		4 ASP A 171
PHE A 170
ASP A 156
TYR A 172
 None
 1.32A 2todA-1m1jA:
undetectable
2todB-1m1jA:
undetectable		 2todA-1m1jA:
20.08
2todB-1m1jA:
20.08
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.
1qmv PEROXIREDOXIN-2

(Homo sapiens) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 ASP A 106
PHE A  42
ASP A 114
TYR A 115
 None
 1.28A 2todA-1qmvA:
0.0
2todB-1qmvA:
0.0		 2todA-1qmvA:
18.27
2todB-1qmvA:
18.27
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.
1r0o ECDYSONE RECEPTOR
ULTRASPIRACLE
PROTEIN

(Drosophila
melanogaster) 		PF00105
(zf-C4) 		4 CYH A  10
ASP A  52
ASP B  52
TYR B  54
 ZN  A 351 (-2.4A)
None
None
None
 1.46A 2todA-1r0oA:
undetectable
2todB-1r0oA:
undetectable		 2todA-1r0oA:
11.78
2todB-1r0oA:
11.78
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.
1wra TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/CHOLINE
BINDING PROTEIN E
(CBPE)

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B) 		4 ASP A 256
PHE A 251
ASP A 288
TYR A 291
 None
 1.15A 2todA-1wraA:
0.3
2todB-1wraA:
0.3		 2todA-1wraA:
22.07
2todB-1wraA:
22.07
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.
1zof ALKYL
HYDROPEROXIDE-REDUCT
ASE

(Helicobacter
pylori) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 ASP A 104
PHE A  40
ASP A 112
TYR A 113
 None
 1.22A 2todA-1zofA:
0.1
2todB-1zofA:
0.0		 2todA-1zofA:
20.09
2todB-1zofA:
20.09
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.
1zye THIOREDOXIN-DEPENDEN
T PEROXIDE REDUCTASE

(Bos taurus) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 ASP A 102
PHE A  38
ASP A 110
TYR A 111
 None
 1.19A 2todA-1zyeA:
undetectable
2todB-1zyeA:
0.0		 2todA-1zyeA:
18.59
2todB-1zyeA:
18.59
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.
2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B)
PF01473
(CW_binding_1) 		4 ASP A 231
PHE A 226
ASP A 263
TYR A 266
 None
 1.14A 2todA-2bibA:
0.4
2todB-2bibA:
0.3		 2todA-2bibA:
21.13
2todB-2bibA:
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.
2w2g NON-STRUCTURAL
PROTEIN 3

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF11633
(SUD-M) 		4 CYH A 507
PHE A 511
ASP A 481
TYR A 483
 None
 1.37A 2todA-2w2gA:
1.1
2todB-2w2gA:
0.9		 2todA-2w2gA:
20.41
2todB-2w2gA:
20.41
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.
2z9s PEROXIREDOXIN-1

(Rattus
norvegicus) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 ASP A 107
PHE A  43
ASP A 115
TYR A 116
 None
 1.22A 2todA-2z9sA:
undetectable
2todB-2z9sA:
undetectable		 2todA-2z9sA:
18.12
2todB-2z9sA:
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.
3jvd TRANSCRIPTIONAL
REGULATORS

(Corynebacterium
glutamicum) 		PF13377
(Peripla_BP_3) 		4 CYH A 156
PHE A 282
ASP A 267
TYR A 266
 None
 1.35A 2todA-3jvdA:
0.6
2todB-3jvdA:
0.2		 2todA-3jvdA:
23.30
2todB-3jvdA:
23.30
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.
3sbc PEROXIREDOXIN TSA1

(Saccharomyces
cerevisiae) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 ASP A 102
PHE A  38
ASP A 110
TYR A 111
 None
 1.17A 2todA-3sbcA:
undetectable
2todB-3sbcA:
undetectable		 2todA-3sbcA:
19.07
2todB-3sbcA:
19.07
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.
3x0u UNCHARACTERIZED
PROTEIN

(Vibrio
parahaemolyticus) 		PF03945
(Endotoxin_N) 		4 TYR A 129
PHE A 183
ASP A 178
TYR A 179
 None
 1.47A 2todA-3x0uA:
undetectable
2todB-3x0uA:
undetectable		 2todA-3x0uA:
23.71
2todB-3x0uA:
23.71
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.
4d47 LEVANSUCRASE

(Erwinia
amylovora) 		PF02435
(Glyco_hydro_68) 		4 ASP A 367
PHE A 365
ASP A 317
TYR A 352
 GLC  A1416 (-4.4A)
None
None
GLC  A1416 (-4.0A)
 1.37A 2todA-4d47A:
undetectable
2todB-4d47A:
undetectable		 2todA-4d47A:
22.94
2todB-4d47A:
22.94
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.
4el8 GLYCOSIDE HYDROLASE
FAMILY 48

(Caldicellulosiruptor
bescii) 		PF02011
(Glyco_hydro_48) 		4 CYH A  43
ASP A  47
PHE A 581
TYR A 588
 None
 1.26A 2todA-4el8A:
undetectable
2todB-4el8A:
undetectable		 2todA-4el8A:
19.11
2todB-4el8A:
19.11
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.
4f7a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF12741
(SusD-like) 		4 TYR A 116
PHE A 120
ASP A 175
TYR A 163
 GOL  A 601 ( 3.9A)
None
None
None
 1.48A 2todA-4f7aA:
undetectable
2todB-4f7aA:
undetectable		 2todA-4f7aA:
20.77
2todB-4f7aA:
20.77
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.
4gri GLUTAMATE--TRNA
LIGASE

(Borreliella
burgdorferi) 		PF00749
(tRNA-synt_1c) 		4 TYR A 270
ASP A 268
PHE A 265
TYR A 316
 None
 1.40A 2todA-4griA:
undetectable
2todB-4griA:
undetectable		 2todA-4griA:
20.30
2todB-4griA:
20.30
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.
4iov CAPSID PROTEIN VP1

(Adeno-associated
virus) 		PF00740
(Parvo_coat) 		4 TYR A 272
ASP A 274
ASP A 346
TYR A 343
 None
 1.44A 2todA-4iovA:
undetectable
2todB-4iovA:
undetectable		 2todA-4iovA:
20.49
2todB-4iovA:
20.49
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.
4kb3 PEROXIDOXIN

(Leishmania
braziliensis) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 ASP A 136
PHE A  72
ASP A 144
TYR A 145
 None
 1.21A 2todA-4kb3A:
undetectable
2todB-4kb3A:
undetectable		 2todA-4kb3A:
19.81
2todB-4kb3A:
19.81
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.
4kw6 PEROXIREDOXIN-1

(Ancylostoma
ceylanicum) 		PF00578
(AhpC-TSA) 		4 ASP A 104
PHE A  40
ASP A 112
TYR A 113
 None
 1.25A 2todA-4kw6A:
undetectable
2todB-4kw6A:
undetectable		 2todA-4kw6A:
18.70
2todB-4kw6A:
18.70
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.
4mad BETA-GALACTOSIDASE

(Bacillus
circulans) 		PF01301
(Glyco_hydro_35) 		4 TYR A 546
ASP A 513
PHE A 515
ASP A 310
 None
 1.37A 2todA-4madA:
5.8
2todB-4madA:
5.8		 2todA-4madA:
21.10
2todB-4madA:
21.10
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.
4ur8 KETO-DEOXY-D-GALACTA
RATE DEHYDRATASE

(Agrobacterium
tumefaciens) 		PF00701
(DHDPS) 		4 TYR A 202
ASP A 167
PHE A 207
ASP A 171
 None
 1.34A 2todA-4ur8A:
8.3
2todB-4ur8A:
8.2		 2todA-4ur8A:
22.14
2todB-4ur8A:
22.14
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.
5elx ATP-DEPENDENT RNA
HELICASE DBP5

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 CYH A 311
PHE A 439
ASP A 406
TYR A 405
 None
 1.33A 2todA-5elxA:
undetectable
2todB-5elxA:
undetectable		 2todA-5elxA:
22.82
2todB-5elxA:
22.82
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.
5ept PEROXIREDOXIN TSA2

(Saccharomyces
cerevisiae) 		no annotation 4 ASP H 103
PHE H  39
ASP H 111
TYR H 112
 None
 1.34A 2todA-5eptH:
undetectable
2todB-5eptH:
undetectable		 2todA-5eptH:
18.12
2todB-5eptH:
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.
5iw7 RIBOSOME BIOGENESIS
PROTEIN
TSR1,RIBOSOME
BIOGENESIS PROTEIN
TSR1

(Saccharomyces
cerevisiae) 		PF04950
(RIBIOP_C)
PF08142
(AARP2CN) 		4 CYH A 656
PHE A 596
ASP A 661
TYR A 618
 None
 1.27A 2todA-5iw7A:
3.4
2todB-5iw7A:
3.4		 2todA-5iw7A:
20.28
2todB-5iw7A:
20.28
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.
5wgx FLAVIN-DEPENDENT
HALOGENASE

(Malbranchea
aurantiaca) 		PF04820
(Trp_halogenase) 		4 TYR A 114
CYH A 128
ASP A 126
ASP A 247
 None
CD  A 705 (-2.6A)
None
None
 1.23A 2todA-5wgxA:
undetectable
2todB-5wgxA:
undetectable		 2todA-5wgxA:
21.12
2todB-5wgxA:
21.12
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		4 ASP A 719
PHE A 721
ASP A 819
TYR A 821
 None
 1.20A 2todA-5x7sA:
1.7
2todB-5x7sA:
2.4		 2todA-5x7sA:
15.90
2todB-5x7sA:
15.90
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.
6cn0 16S RRNA
(GUANINE(1405)-N(7))
-METHYLTRANSFERASE

(Proteus
mirabilis) 		no annotation 4 TYR A 119
PHE A 147
ASP A 134
TYR A 156
 None
 1.47A 2todA-6cn0A:
undetectable
2todB-6cn0A:
undetectable		 2todA-6cn0A:
11.93
2todB-6cn0A:
11.93
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC1
DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC8
DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC9

(Saccharomyces
cerevisiae) 		no annotation 4 CYH A1446
PHE D  19
ASP G  50
TYR G  49
 None
 1.32A 2todA-6f42A:
undetectable
2todB-6f42A:
undetectable		 2todA-6f42A:
11.81
2todB-6f42A:
11.81