SIMILAR PATTERNS OF AMINO ACIDS FOR 5YF0_A_SAMA505_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.
1c7j PROTEIN
(PARA-NITROBENZYL
ESTERASE)

(Bacillus
subtilis) 		PF00135
(COesterase) 		4 GLN A 276
ARG A 219
TYR A 333
ASP A 260
 None
 1.28A 5yf0A-1c7jA:
2.0		 5yf0A-1c7jA:
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.
1yk3 HYPOTHETICAL PROTEIN
RV1347C/MT1389

(Mycobacterium
tuberculosis) 		PF13523
(Acetyltransf_8) 		4 GLN A  85
TYR A  71
GLU A  20
ASP A  23
 None
 1.46A 5yf0A-1yk3A:
undetectable		 5yf0A-1yk3A:
18.26
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.
2xt6 2-OXOGLUTARATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00198
(2-oxoacid_dh)
PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 GLN A 799
ARG A 802
TYR A 554
ASP A 523
 None
 1.23A 5yf0A-2xt6A:
3.7		 5yf0A-2xt6A:
16.11
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.
2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 GLN A 830
TYR A 163
GLU A 329
ASP A 274
 None
 1.46A 5yf0A-2yd0A:
0.0		 5yf0A-2yd0A:
18.92
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.
3gxk GOOSE-TYPE LYSOZYME
1

(Gadus morhua) 		PF01464
(SLT) 		4 ARG A 103
TYR A 104
GLU A  73
ASP A 176
 None
 1.48A 5yf0A-3gxkA:
undetectable		 5yf0A-3gxkA:
18.90
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.
3j9t V-TYPE PROTON ATPASE
SUBUNIT H

(Saccharomyces
cerevisiae) 		PF03224
(V-ATPase_H_N)
PF11698
(V-ATPase_H_C) 		4 GLN P 191
ARG P 188
TYR P 184
ASP P 332
 None
 1.36A 5yf0A-3j9tP:
0.6		 5yf0A-3j9tP:
20.94
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.
3j9t V-TYPE PROTON ATPASE
SUBUNIT H

(Saccharomyces
cerevisiae) 		PF03224
(V-ATPase_H_N)
PF11698
(V-ATPase_H_C) 		4 GLN P 191
ARG P 188
TYR P 184
ASP P 338
 None
 1.40A 5yf0A-3j9tP:
0.6		 5yf0A-3j9tP:
20.94
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.
3kvn ESTERASE ESTA

(Pseudomonas
aeruginosa) 		no annotation 4 ARG X 496
TYR X 494
GLU X 317
ASP X 608
 None
 1.48A 5yf0A-3kvnX:
0.9		 5yf0A-3kvnX:
18.98
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.
3lqu 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Salmonella
enterica) 		PF00926
(DHBP_synthase) 		4 GLN A 143
ARG A 150
GLU A  72
ASP A  79
 None
5SP  A 500 (-2.8A)
None
None
 1.01A 5yf0A-3lquA:
undetectable		 5yf0A-3lquA:
21.15
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.
3s3r CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)

(Schistosoma
mansoni) 		PF00112
(Peptidase_C1) 		4 GLN A 116
ARG A 321
TYR A 222
ASP A  77
 None
 1.44A 5yf0A-3s3rA:
0.0		 5yf0A-3s3rA:
20.85
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.
4gel MITOCHONDRIAL
CARDIOLIPIN
HYDROLASE

(Drosophila
melanogaster) 		PF13091
(PLDc_2) 		4 GLN A  99
ARG A 102
TYR A 197
GLU A  52
 None
 1.19A 5yf0A-4gelA:
undetectable		 5yf0A-4gelA:
18.98
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.
4pht GENERAL SECRETORY
PATHWAY PROTEIN E
TYPE II SECRETION
SYSTEM PROTEIN L

(Vibrio
vulnificus;
Vibrio
vulnificus) 		PF00437
(T2SSE)
PF05134
(T2SSL) 		4 GLN A  46
TYR X 178
GLU A  50
ASP X 114
 None
 1.42A 5yf0A-4phtA:
3.4		 5yf0A-4phtA:
21.80
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.
4tsd HP1029

(Helicobacter
pylori) 		no annotation 4 GLN B  88
TYR B  65
GLU B  79
ASP B 112
 None
None
ZN  B 201 ( 3.9A)
None
 1.12A 5yf0A-4tsdB:
undetectable		 5yf0A-4tsdB:
19.62
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.
4ywj 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Pseudomonas
aeruginosa) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		4 GLN A 184
TYR A 189
GLU A 173
ASP A 138
 None
 1.34A 5yf0A-4ywjA:
5.2		 5yf0A-4ywjA:
19.35
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT THETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		4 GLN q  40
ARG q  36
GLU q 465
ASP q 470
 None
 1.18A 5yf0A-5gw5q:
0.0		 5yf0A-5gw5q:
21.37
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.
5j4u GLUTATHIONE
TRANSFERASE FAMILY
PROTEIN

(Populus
trichocarpa) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		4 GLN A 192
ARG A 189
TYR A 145
ASP A 202
 None
 1.34A 5yf0A-5j4uA:
1.1		 5yf0A-5j4uA:
19.52
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.
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 GLN A 853
TYR A 180
GLU A 346
ASP A 291
 None
 1.21A 5yf0A-5j6sA:
0.3		 5yf0A-5j6sA:
16.60
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.
5jjh 4-ALPHA-GLUCANOTRANS
FERASE

(Corynebacterium
glutamicum) 		PF02446
(Glyco_hydro_77) 		4 GLN A 540
ARG A 545
GLU A 600
ASP A 594
 None
 1.49A 5yf0A-5jjhA:
undetectable		 5yf0A-5jjhA:
19.19
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.
5mt2 BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 GLN A 198
ARG A 255
TYR A 226
ASP A 236
 None
 1.19A 5yf0A-5mt2A:
undetectable		 5yf0A-5mt2A:
20.71
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.
5txe ATXE2

(Asticcacaulis
excentricus) 		PF00326
(Peptidase_S9) 		4 ARG A 471
TYR A 476
GLU A 299
ASP A 297
 None
 1.48A 5yf0A-5txeA:
undetectable		 5yf0A-5txeA:
18.10
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.
5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		4 GLN A 430
ARG A 435
GLU A 426
ASP A 415
 None
 1.33A 5yf0A-5uuuA:
0.4		 5yf0A-5uuuA:
20.22
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.
5vni PROTEIN TRANSPORT
PROTEIN SEC24A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 GLN B 727
TYR B1053
GLU B 734
ASP B 782
 None
 1.50A 5yf0A-5vniB:
0.8		 5yf0A-5vniB:
18.95
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.
5yf0 -

(-) 		no annotation 5 GLN A 164
ARG A 167
TYR A 181
GLU A 229
ASP A 295
 SAM  A 505 (-3.6A)
SAM  A 505 (-4.0A)
None
SAM  A 505 (-2.9A)
SAM  A 505 (-3.6A)
 0.00A 5yf0A-5yf0A:
55.3		 5yf0A-5yf0A:
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.
5zvs VP2

(Aquareovirus C) 		no annotation 4 GLN 2 732
ARG 2 309
GLU 2 706
ASP 2 433
 None
 1.31A 5yf0A-5zvs2:
undetectable		 5yf0A-5zvs2:
undetectable