SIMILAR PATTERNS OF AMINO ACIDS FOR 2TOD_D_DMOD700

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.
1m1j FIBRINOGEN ALPHA
SUBUNIT

(Gallus gallus) 		PF08702
(Fib_alpha) 		4 ASP A 156
TYR A 172
ASP A 171
PHE A 170
 None
 1.34A 2todC-1m1jA:
undetectable
2todD-1m1jA:
undetectable		 2todC-1m1jA:
20.08
2todD-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 114
TYR A 115
ASP A 106
PHE A  42
 None
 1.30A 2todC-1qmvA:
0.0
2todD-1qmvA:
0.0		 2todC-1qmvA:
18.27
2todD-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 ASP B  52
TYR B  54
CYH A  10
ASP A  52
 None
None
ZN  A 351 (-2.4A)
None
 1.44A 2todC-1r0oB:
undetectable
2todD-1r0oB:
undetectable		 2todC-1r0oB:
11.58
2todD-1r0oB:
11.58
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.
1wra TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/CHOLINE
BINDING PROTEIN E
(CBPE)

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B) 		4 ASP A 288
TYR A 291
ASP A 256
PHE A 251
 None
 1.15A 2todC-1wraA:
0.3
2todD-1wraA:
0.1		 2todC-1wraA:
22.07
2todD-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 112
TYR A 113
ASP A 104
PHE A  40
 None
 1.24A 2todC-1zofA:
0.0
2todD-1zofA:
0.1		 2todC-1zofA:
20.09
2todD-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.
2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B)
PF01473
(CW_binding_1) 		4 ASP A 263
TYR A 266
ASP A 231
PHE A 226
 None
 1.15A 2todC-2bibA:
0.0
2todD-2bibA:
0.3		 2todC-2bibA:
21.13
2todD-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 ASP A 481
TYR A 483
CYH A 507
PHE A 511
 None
 1.38A 2todC-2w2gA:
0.5
2todD-2w2gA:
1.1		 2todC-2w2gA:
20.41
2todD-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 115
TYR A 116
ASP A 107
PHE A  43
 None
 1.24A 2todC-2z9sA:
0.0
2todD-2z9sA:
0.0		 2todC-2z9sA:
18.12
2todD-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 ASP A 267
TYR A 266
CYH A 156
PHE A 282
 None
 1.37A 2todC-3jvdA:
0.4
2todD-3jvdA:
0.6		 2todC-3jvdA:
23.30
2todD-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 110
TYR A 111
ASP A 102
PHE A  38
 None
 1.19A 2todC-3sbcA:
0.1
2todD-3sbcA:
0.0		 2todC-3sbcA:
19.07
2todD-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.
4d47 LEVANSUCRASE

(Erwinia
amylovora) 		PF02435
(Glyco_hydro_68) 		4 ASP A 317
TYR A 352
ASP A 367
PHE A 365
 None
GLC  A1416 (-4.0A)
GLC  A1416 (-4.4A)
None
 1.38A 2todC-4d47A:
0.0
2todD-4d47A:
0.0		 2todC-4d47A:
22.94
2todD-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 TYR A 588
CYH A  43
ASP A  47
PHE A 581
 None
 1.26A 2todC-4el8A:
undetectable
2todD-4el8A:
undetectable		 2todC-4el8A:
19.11
2todD-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.
4kb3 PEROXIDOXIN

(Leishmania
braziliensis) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 ASP A 144
TYR A 145
ASP A 136
PHE A  72
 None
 1.23A 2todC-4kb3A:
undetectable
2todD-4kb3A:
undetectable		 2todC-4kb3A:
19.81
2todD-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.
5elx ATP-DEPENDENT RNA
HELICASE DBP5

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ASP A 406
TYR A 405
CYH A 311
PHE A 439
 None
 1.35A 2todC-5elxA:
undetectable
2todD-5elxA:
undetectable		 2todC-5elxA:
22.82
2todD-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.
5iw7 RIBOSOME BIOGENESIS
PROTEIN
TSR1,RIBOSOME
BIOGENESIS PROTEIN
TSR1

(Saccharomyces
cerevisiae) 		PF04950
(RIBIOP_C)
PF08142
(AARP2CN) 		4 ASP A 661
TYR A 618
CYH A 656
PHE A 596
 None
 1.26A 2todC-5iw7A:
undetectable
2todD-5iw7A:
3.3		 2todC-5iw7A:
20.28
2todD-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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		4 ASP A 819
TYR A 821
ASP A 719
PHE A 721
 None
 1.17A 2todC-5x7sA:
2.2
2todD-5x7sA:
2.4		 2todC-5x7sA:
15.90
2todD-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.
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 ASP G  50
TYR G  49
CYH A1446
PHE D  19
 None
 1.33A 2todC-6f42G:
undetectable
2todD-6f42G:
undetectable		 2todC-6f42G:
13.32
2todD-6f42G:
13.32