SIMILAR PATTERNS OF AMINO ACIDS FOR 2OXT_D_SAMD300_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.
1obb ALPHA-GLUCOSIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 SER A 265
TRP A 279
ASP A 222
ILE A 225
 None
 1.44A 2oxtD-1obbA:
4.0		 2oxtD-1obbA:
20.37
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.
1qnl ALIPHATIC AMIDASE
EXPRESSION-REGULATIN
G PROTEIN

(Pseudomonas
aeruginosa) 		PF13433
(Peripla_BP_5) 		4 SER A  26
TRP A 285
ASP A 261
ILE A 260
 None
 1.09A 2oxtD-1qnlA:
1.7		 2oxtD-1qnlA:
21.92
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.
1xr6 GENOME POLYPROTEIN

(Rhinovirus A) 		PF00680
(RdRP_1) 		4 SER A 241
TRP A 246
ASP A 338
ILE A 342
 None
 1.43A 2oxtD-1xr6A:
undetectable		 2oxtD-1xr6A:
18.18
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.
1z9z CYTOSKELETON
ASSEMBLY CONTROL
PROTEIN SLA1

(Saccharomyces
cerevisiae) 		PF00018
(SH3_1) 		4 SER A  35
TRP A  38
ASP A  25
ILE A  21
 None
 1.42A 2oxtD-1z9zA:
undetectable		 2oxtD-1z9zA:
11.86
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.
2amg 1,4-ALPHA-D-GLUCAN
MALTOTETRAHYDROLASE

(Pseudomonas
stutzeri) 		PF00128
(Alpha-amylase)
PF09081
(DUF1921) 		4 SER A 210
TRP A 206
ASP A  82
ILE A 127
 None
 1.49A 2oxtD-2amgA:
0.0		 2oxtD-2amgA:
21.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		4 SER A  57
TRP A  88
ASP A 132
ILE A 133
 SAM  A 300 (-2.6A)
SAM  A 300 (-3.8A)
SAM  A 300 (-3.9A)
SAM  A 300 (-3.8A)
 0.18A 2oxtD-2oxtA:
45.2		 2oxtD-2oxtA:
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.
3cmm UBIQUITIN-ACTIVATING
ENZYME E1 1

(Saccharomyces
cerevisiae) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		4 SER A 664
TRP A 675
ASP A 763
ILE A 762
 None
 1.35A 2oxtD-3cmmA:
3.6		 2oxtD-3cmmA:
14.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		4 SER A  56
TRP A  87
ASP A 131
ILE A 132
 SAH  A 901 (-2.6A)
SAH  A 901 (-3.6A)
SAH  A 901 (-3.7A)
SAH  A 901 (-3.8A)
 0.39A 2oxtD-3evcA:
39.8		 2oxtD-3evcA:
48.89
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.
3u7v BETA-GALACTOSIDASE

(Caulobacter
vibrioides) 		PF02449
(Glyco_hydro_42) 		4 SER A 295
TRP A 130
ASP A 315
ILE A 314
 None
 1.49A 2oxtD-3u7vA:
0.2		 2oxtD-3u7vA:
19.37
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.
3uyw HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 SER A 127
TRP A 129
ASP A 244
ILE A 246
 None
 1.34A 2oxtD-3uywA:
0.0		 2oxtD-3uywA:
23.16
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.
4d1i BETA-GALACTOSIDASE,
PUTATIVE, BGL35A

(Cellvibrio
japonicus) 		PF02449
(Glyco_hydro_42) 		4 SER A 297
TRP A 133
ASP A 317
ILE A 316
 None
 1.47A 2oxtD-4d1iA:
undetectable		 2oxtD-4d1iA:
19.06
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.
4jpk GERMLINE-TARGETING
HIV-1 GP120
ENGINEERED OUTER
DOMAIN, EOD-GT6

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 SER A 166
TRP A 112
ASP A  47
ILE A  23
 None
 1.42A 2oxtD-4jpkA:
undetectable		 2oxtD-4jpkA:
20.72
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.
4jtv HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 SER A 127
TRP A 129
ASP A 244
ILE A 246
 None
 1.34A 2oxtD-4jtvA:
undetectable		 2oxtD-4jtvA:
21.62
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.
4jug HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 SER A 125
TRP A 127
ASP A 241
ILE A 243
 None
 1.28A 2oxtD-4jugA:
undetectable		 2oxtD-4jugA:
21.19
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.
4ptx GLYCOSIDE HYDROLASE
FAMILY 1

(Halothermothrix
orenii) 		PF00232
(Glyco_hydro_1) 		4 SER A  79
TRP A 122
ASP A  49
ILE A  45
 None
 1.42A 2oxtD-4ptxA:
undetectable		 2oxtD-4ptxA:
20.26
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.
4r4h HIV-1 ENV GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 SER A 392
TRP A 338
ASP A 269
ILE A 270
 None
 1.38A 2oxtD-4r4hA:
undetectable		 2oxtD-4r4hA:
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.
4zaj ARGININE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		4 SER A 100
TRP A 561
ASP A 479
ILE A 478
 None
 1.11A 2oxtD-4zajA:
2.5		 2oxtD-4zajA:
18.46
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.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		4 SER A  38
TRP A  42
ASP A  11
ILE A  10
 None
 1.30A 2oxtD-5hctA:
undetectable		 2oxtD-5hctA:
20.14
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.
5k9o HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 SER F 125
TRP F 127
ASP F 241
ILE F 243
 None
 1.27A 2oxtD-5k9oF:
undetectable		 2oxtD-5k9oF:
17.19
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.
5nlm INDOXYL
UDP-GLUCOSYLTRANSFER
ASE

(Persicaria
tinctoria) 		no annotation 4 SER A 475
TRP A 473
ASP A 130
ILE A 129
 None
 1.48A 2oxtD-5nlmA:
undetectable		 2oxtD-5nlmA:
undetectable
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.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		4 SER A  38
TRP A  42
ASP A  11
ILE A  10
 None
 1.30A 2oxtD-5p60A:
undetectable		 2oxtD-5p60A:
22.56
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.
5w6t HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 SER A 125
TRP A 127
ASP A 241
ILE A 243
 None
 1.46A 2oxtD-5w6tA:
undetectable		 2oxtD-5w6tA:
21.02