SIMILAR PATTERNS OF AMINO ACIDS FOR 2W13_A_ACTA1208_0

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1htd ATROLYSIN C

(Crotalus atrox) 		PF01421
(Reprolysin) 		4 THR A  31
ARG A  32
GLU A  35
ASN A 133
 None
 1.12A 2w13A-1htdA:
34.8		 2w13A-1htdA:
59.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nd1 BAP1

(Bothrops asper) 		PF01421
(Reprolysin) 		4 THR A  31
ARG A  32
GLU A  35
ASN A 133
 None
 0.27A 2w13A-1nd1A:
37.7		 2w13A-1nd1A:
99.50
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.
1v5b 3-ISOPROPYLMALATE
DEHYDROGENASE

(Bacillus
coagulans) 		PF00180
(Iso_dh) 		4 THR A 240
ARG A 134
GLU A 241
ASN A 242
 None
 1.25A 2w13A-1v5bA:
4.4		 2w13A-1v5bA:
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.
2whk MANNAN
ENDO-1,4-BETA-MANNOS
IDASE

(Bacillus
subtilis) 		PF02156
(Glyco_hydro_26) 		4 THR A  28
ARG A  27
GLU A  29
ASN A  30
 None
None
None
CA  A1339 (-3.1A)
 1.08A 2w13A-2whkA:
0.0		 2w13A-2whkA:
19.59
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.
3adp LAMBDA-CRYSTALLIN

(Oryctolagus
cuniculus) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 THR A  43
ARG A  19
GLU A  47
ASN A  48
 None
 1.46A 2w13A-3adpA:
0.0		 2w13A-3adpA:
21.54
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.
3hra ANKYRIN REPEAT
FAMILY PROTEIN

(Enterococcus
faecalis) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		4 THR A  85
ARG A  84
GLU A  86
ASN A  50
 None
 0.93A 2w13A-3hraA:
0.0		 2w13A-3hraA:
22.41
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.
3j0c E2 ENVELOPE
GLYCOPROTEIN

(Venezuelan
equine
encephalitis
virus) 		PF00943
(Alpha_E2_glycop) 		4 THR B 293
ARG B 136
GLU B 137
ASN B 332
 None
 1.28A 2w13A-3j0cB:
0.0		 2w13A-3j0cB:
19.14
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.
3our PHOSPHOTRANSFERASE
SYSTEM IIA COMPONENT

(Vibrio
vulnificus) 		PF00358
(PTS_EIIA_1) 		4 THR B 168
ARG B 166
GLU B 149
ASN B 151
 None
 1.03A 2w13A-3ourB:
0.0		 2w13A-3ourB:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aig ADAMALYSIN II

(Crotalus
adamanteus) 		PF01421
(Reprolysin) 		4 THR A  31
ARG A  32
GLU A  35
ASN A 133
 None
 0.83A 2w13A-4aigA:
35.1		 2w13A-4aigA:
59.90
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.
4i4q BEL-BETA TREFOIL

(Boletus edulis) 		no annotation 4 THR A  28
ARG A  27
GLU A  29
ASN A  30
 None
GOL  A 201 (-4.0A)
None
None
 1.11A 2w13A-4i4qA:
undetectable		 2w13A-4i4qA:
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.
4i4s BEL BETA-TREFOIL

(Boletus edulis) 		no annotation 4 THR A  28
ARG A  27
GLU A  29
ASN A  30
 None
GOL  A 203 (-3.9A)
None
None
 1.06A 2w13A-4i4sA:
undetectable		 2w13A-4i4sA:
19.80
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.
4ydq PROLINE--TRNA LIGASE

(Plasmodium
falciparum) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 THR A 359
ARG A 357
GLU A 409
ASN A 386
 HFG  A 802 (-3.2A)
None
HFG  A 802 ( 4.9A)
None
 1.23A 2w13A-4ydqA:
undetectable		 2w13A-4ydqA:
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.
5gw7 GLUCOSIDASE YGJK

(Escherichia
coli) 		PF01204
(Trehalase) 		4 THR A 213
ARG A 211
GLU A 206
ASN A 208
 None
 0.76A 2w13A-5gw7A:
undetectable		 2w13A-5gw7A:
13.55
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.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		4 THR A1917
ARG A1916
GLU A1960
ASN A1942
 None
 1.46A 2w13A-5i6hA:
undetectable		 2w13A-5i6hA:
8.54
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.
5tzb D-AMINOPEPTIDASE

(Burkholderia
sp. LK4) 		PF03576
(Peptidase_S58) 		4 THR A   3
ARG A   2
GLU A 327
ASN A  19
 None
 1.23A 2w13A-5tzbA:
undetectable		 2w13A-5tzbA:
19.90
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.
5xip PROLYL-TRNA
SYNTHETASE, PUTATIVE

(Eimeria tenella) 		no annotation 4 THR A 359
ARG A 357
GLU A 409
ASN A 386
 HFG  A1003 (-3.9A)
None
HFG  A1003 ( 4.8A)
None
 1.16A 2w13A-5xipA:
undetectable		 2w13A-5xipA:
undetectable