SIMILAR PATTERNS OF AMINO ACIDS FOR 1WU8_B_ADNB501_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.
1h1c HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00155
(Aminotran_1_2) 		5 ILE A  65
VAL A 214
ASN A 232
TYR A 224
ASN A 225
 None
 1.41A 1wu8B-1h1cA:
0.4
1wu8C-1h1cA:
0.6		 1wu8B-1h1cA:
24.49
1wu8C-1h1cA:
24.49
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.
2icw MYCOPLASMA
ARTHRITIDIS MITOGEN
T-CELL RECEPTOR BETA
CHAIN V

(Mus musculus;
Mycoplasma
arthritidis) 		PF07686
(V-set)
PF09245
(MA-Mit) 		5 HIS J  47
ILE J  60
ASP J  62
PRO J  61
ASN G  21
 None
 1.46A 1wu8B-2icwJ:
1.3
1wu8C-2icwJ:
1.2		 1wu8B-2icwJ:
18.82
1wu8C-2icwJ:
18.82
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.
2wan PULLULANASE

(Bacillus
acidopullulyticus) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ILE A 568
ASP A 564
PRO A 394
TYR A 514
ASN A 515
 None
 1.42A 1wu8B-2wanA:
0.0
1wu8C-2wanA:
0.0		 1wu8B-2wanA:
13.62
1wu8C-2wanA:
13.62
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.
3dxp PUTATIVE ACYL-COA
DEHYDROGENASE

(Cupriavidus
pinatubonensis) 		PF01636
(APH) 		5 HIS A 249
ASP A 253
PRO A 250
VAL A 218
PHE A 174
 None
 1.27A 1wu8B-3dxpA:
0.0
1wu8C-3dxpA:
0.0		 1wu8B-3dxpA:
20.72
1wu8C-3dxpA:
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.
3ivp PUTATIVE
TRANSPOSON-RELATED
DNA-BINDING PROTEIN

(Clostridioides
difficile) 		PF01381
(HTH_3) 		5 ARG A  21
ILE A  37
ASP A  38
PRO A  39
ASN A  47
 None
 1.26A 1wu8B-3ivpA:
undetectable
1wu8C-3ivpA:
undetectable		 1wu8B-3ivpA:
19.92
1wu8C-3ivpA:
19.92
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.
3u95 GLYCOSIDE HYDROLASE,
FAMILY 4

(Thermotoga
neapolitana) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 HIS A  92
ASP A 100
PHE A 459
ASN A 460
TYR A 128
 None
 1.35A 1wu8B-3u95A:
1.1
1wu8C-3u95A:
1.2		 1wu8B-3u95A:
21.10
1wu8C-3u95A:
21.10
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.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		5 ASP A 634
HIS A 628
ILE A 672
ASP A 674
PRO A 671
 None
 1.44A 1wu8B-4gfhA:
1.6
1wu8C-4gfhA:
1.5		 1wu8B-4gfhA:
12.35
1wu8C-4gfhA:
12.35
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.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		5 HIS A 400
ILE A 363
PRO A 365
VAL A 366
PHE A 430
 None
None
None
AER  A 602 ( 4.9A)
None
 1.15A 1wu8B-4r20A:
0.0
1wu8C-4r20A:
0.0		 1wu8B-4r20A:
19.26
1wu8C-4r20A:
19.26
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.
5e9g ISOCITRATE LYASE

(Magnaporthe
oryzae) 		PF00463
(ICL) 		5 ASP A 269
ARG A 268
ILE A 261
PRO A 225
ASN A 231
 None
 1.48A 1wu8B-5e9gA:
0.0
1wu8C-5e9gA:
0.0		 1wu8B-5e9gA:
19.78
1wu8C-5e9gA:
19.78