SIMILAR PATTERNS OF AMINO ACIDS FOR 2TOD_C_DMOC700

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.
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
 1.31A 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.
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
 1.17A 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 104
PHE A  40
ASP A 112
TYR A 113
 None
 1.25A 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 231
PHE A 226
ASP A 263
TYR A 266
 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.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		4 ASP A 355
PHE A 353
ASP A 536
TYR A 534
 None
 1.40A 2todC-2fj0A:
1.5
2todD-2fj0A:
1.4		 2todC-2fj0A:
22.63
2todD-2fj0A:
22.63
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.
2pgw MUCONATE
CYCLOISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 CYH A 296
PHE A 220
ASP A 196
TYR A 167
 None
 1.49A 2todC-2pgwA:
8.2
2todD-2pgwA:
7.5		 2todC-2pgwA:
21.72
2todD-2pgwA:
21.72
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.
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
 1.40A 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 107
PHE A  43
ASP A 115
TYR A 116
 None
 1.26A 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 CYH A 156
PHE A 282
ASP A 267
TYR A 266
 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 102
PHE A  38
ASP A 110
TYR A 111
 None
 1.20A 2todC-3sbcA:
undetectable
2todD-3sbcA:
undetectable		 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.
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 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 136
PHE A  72
ASP A 144
TYR A 145
 None
 1.24A 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.
5dmx D-ALANINE--D-ALANINE
LIGASE

(Acinetobacter
baumannii) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		4 CYH A 296
ASP A 293
PHE A 292
ASP A  33
 None
 1.44A 2todC-5dmxA:
undetectable
2todD-5dmxA:
undetectable		 2todC-5dmxA:
22.43
2todD-5dmxA:
22.43
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.
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 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 719
PHE A 721
ASP A 819
TYR A 821
 None
 1.18A 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 CYH A1446
PHE D  19
ASP G  50
TYR G  49
 None
 1.33A 2todC-6f42A:
undetectable
2todD-6f42A:
undetectable		 2todC-6f42A:
11.81
2todD-6f42A:
11.81