SIMILAR PATTERNS OF AMINO ACIDS FOR 2TOD_B_DMOB700

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 114
TYR A 115
ASP A 106
PHE A  42
 None
 1.31A 2todA-1qmvA:
0.1
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.
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
 1.25A 2todA-1zofA:
0.1
2todB-1zofA:
0.1		 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.
2pgw MUCONATE
CYCLOISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 196
TYR A 167
CYH A 296
PHE A 220
 None
 1.48A 2todA-2pgwA:
5.5
2todB-2pgwA:
5.4		 2todA-2pgwA:
21.72
2todB-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 ASP A 481
TYR A 483
CYH A 507
PHE A 511
 None
 1.38A 2todA-2w2gA:
1.0
2todB-2w2gA:
0.5		 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 115
TYR A 116
ASP A 107
PHE A  43
 None
 1.25A 2todA-2z9sA:
0.0
2todB-2z9sA:
0.0		 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 ASP A 267
TYR A 266
CYH A 156
PHE A 282
 None
 1.37A 2todA-3jvdA:
0.5
2todB-3jvdA:
0.5		 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 110
TYR A 111
ASP A 102
PHE A  38
 None
 1.20A 2todA-3sbcA:
0.0
2todB-3sbcA:
0.0		 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.
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 2todA-4d47A:
0.0
2todB-4d47A:
0.0		 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 TYR A 588
CYH A  43
ASP A  47
PHE A 581
 None
 1.25A 2todA-4el8A:
0.0
2todB-4el8A:
0.0		 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.
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
 1.24A 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.
5dmx D-ALANINE--D-ALANINE
LIGASE

(Acinetobacter
baumannii) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		4 ASP A  33
CYH A 296
ASP A 293
PHE A 292
 None
 1.45A 2todA-5dmxA:
undetectable
2todB-5dmxA:
undetectable		 2todA-5dmxA:
22.43
2todB-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.
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
 1.38A 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.
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
 1.25A 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.
5v07 EXONUCLEASE 1

(Homo sapiens) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		4 ASP Z 225
TYR Z 226
ASP Z 152
PHE Z 177
 None
None
MN  Z 401 ( 2.8A)
None
 1.44A 2todA-5v07Z:
undetectable
2todB-5v07Z:
undetectable		 2todA-5v07Z:
23.45
2todB-5v07Z:
23.45
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.
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
 1.16A 2todA-5x7sA:
1.6
2todB-5x7sA:
2.2		 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.
6c0t CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		no annotation 4 ASP A 493
TYR A 497
ASP A 419
PHE A 420
 None
 1.29A 2todA-6c0tA:
undetectable
2todB-6c0tA:
undetectable		 2todA-6c0tA:
11.95
2todB-6c0tA:
11.95
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.
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
 1.34A 2todA-6f42G:
undetectable
2todB-6f42G:
undetectable		 2todA-6f42G:
13.32
2todB-6f42G:
13.32