SIMILAR PATTERNS OF AMINO ACIDS FOR 4X61_A_SAMA701_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.
1e3j NADP(H)-DEPENDENT
KETOSE REDUCTASE

(Bemisia
argentifolii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 TYR A 301
TYR A 107
GLU A 152
ASP A  44
 None
None
ZN  A 902 ( 3.9A)
None
 1.37A 4x61A-1e3jA:
4.6		 4x61A-1e3jA:
20.58
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.
1i4w MITOCHONDRIAL
REPLICATION PROTEIN
MTF1

(Saccharomyces
cerevisiae) 		PF00398
(RrnaAD) 		4 TYR A  22
TYR A  29
GLU A  77
ASP A 101
 None
 1.48A 4x61A-1i4wA:
6.9		 4x61A-1i4wA:
18.97
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.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE II
HEAVY CHAIN ANTIBODY
FV FRAGMENT

(Paracoccus
denitrificans;
Mus musculus) 		PF00116
(COX2)
PF02790
(COX2_TM)
PF07686
(V-set) 		4 TYR H 101
TYR H  32
GLU B 209
ASP B   6
 None
 1.47A 4x61A-1qleH:
undetectable		 4x61A-1qleH:
12.18
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		4 TYR G1572
TYR G1266
GLU G1253
ASP G1162
 None
 1.34A 4x61A-2uv8G:
2.1		 4x61A-2uv8G:
15.71
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.
2w61 GLYCOLIPID-ANCHORED
SURFACE PROTEIN 2

(Saccharomyces
cerevisiae) 		PF03198
(Glyco_hydro_72)
PF07983
(X8) 		4 TYR A 244
TYR A 257
GLU A 275
ASP A 132
 None
 1.49A 4x61A-2w61A:
2.3		 4x61A-2w61A:
21.88
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.
3hq2 BACILLUS SUBTILIS
M32 CARBOXYPEPTIDASE

(Bacillus
subtilis) 		PF02074
(Peptidase_M32) 		4 TYR A 426
TYR A 272
GLU A 162
ASP A 159
 None
 1.17A 4x61A-3hq2A:
0.0		 4x61A-3hq2A:
21.34
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.
3ipw HYDROLASE TATD
FAMILY PROTEIN

(Entamoeba
histolytica) 		PF01026
(TatD_DNase) 		4 TYR A  17
TYR A  66
GLU A 263
ASP A 244
 None
 1.42A 4x61A-3ipwA:
7.3		 4x61A-3ipwA:
19.38
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.
3rfy PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYP38, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00160
(Pro_isomerase) 		4 TYR A 109
TYR A 399
GLU A 126
ASP A 130
 None
 1.26A 4x61A-3rfyA:
undetectable		 4x61A-3rfyA:
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.
3tmp OTU
DOMAIN-CONTAINING
PROTEIN 5

(Homo sapiens) 		PF02338
(OTU) 		4 TYR A 269
LYS A 178
TYR A 181
GLU A 284
 SEP  A 177 ( 4.9A)
SEP  A 177 ( 2.7A)
SEP  A 177 ( 4.1A)
None
 1.34A 4x61A-3tmpA:
undetectable		 4x61A-3tmpA:
14.35
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.
3vrh PUTATIVE
UNCHARACTERIZED
PROTEIN PH0300

(Pyrococcus
horikoshii) 		PF01171
(ATP_bind_3) 		4 TYR A  16
LYS A  33
TYR A  29
GLU A 239
 None
 1.20A 4x61A-3vrhA:
2.1		 4x61A-3vrhA:
20.43
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.
4fdy SIMILAR TO
LIPOPROTEIN, NLP/P60
FAMILY

(Staphylococcus
aureus) 		PF00877
(NLPC_P60)
PF13702
(Lysozyme_like) 		4 TYR A 197
TYR A 176
GLU A  83
ASP A  90
 None
 1.28A 4x61A-4fdyA:
undetectable		 4x61A-4fdyA:
19.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gqb PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Homo sapiens) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		5 TYR A 324
LYS A 333
TYR A 334
GLU A 392
ASP A 419
 0XU  A 701 (-4.3A)
0XU  A 701 (-3.0A)
0XU  A 701 (-4.6A)
0XU  A 701 (-2.9A)
0XU  A 701 (-2.9A)
 0.21A 4x61A-4gqbA:
50.3		 4x61A-4gqbA:
98.76
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.
4hpe PUTATIVE CELL WALL
HYDROLASE
TN916-LIKE,CTN1-ORF1
7

(Clostridioides
difficile) 		PF00877
(NLPC_P60)
PF13702
(Lysozyme_like) 		4 TYR A 196
TYR A 175
GLU A  81
ASP A  88
 GOL  A 406 ( 4.5A)
None
GOL  A 406 (-2.9A)
None
 1.27A 4x61A-4hpeA:
undetectable		 4x61A-4hpeA:
17.67
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.
4wnr LEUCINE-RICH-REPEAT
PROTEIN

(Methanosarcina
barkeri) 		PF08477
(Roc)
PF16095
(COR) 		4 TYR A 563
TYR A 597
GLU A 381
ASP A 376
 None
None
None
GDP  A 701 ( 4.6A)
 1.44A 4x61A-4wnrA:
1.7		 4x61A-4wnrA:
20.34
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.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus) 		PF13088
(BNR_2) 		4 TYR A 666
LYS A 694
TYR A 692
GLU A 718
 None
 1.42A 4x61A-4x6kA:
undetectable		 4x61A-4x6kA:
22.17
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.
5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Bifidobacterium
bifidum) 		PF11308
(Glyco_hydro_129) 		4 TYR A 165
TYR A 191
GLU A 479
ASP A 561
 None
None
None
DJN  A 702 (-2.9A)
 1.48A 4x61A-5wzrA:
0.0		 4x61A-5wzrA:
20.29