SIMILAR PATTERNS OF AMINO ACIDS FOR 3SUE_A_SUEA1201_2

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.
1a5c FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE

(Plasmodium
falciparum) 		PF00274
(Glycolytic) 		4 PHE A 305
TYR A 345
ARG A 264
LEU A 235
 None
 1.25A 3sueA-1a5cA:
0.0		 3sueA-1a5cA:
20.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		4 PHE A  43
TYR A  56
ARG A 123
LEU A 135
 None
 0.45A 3sueA-1cu1A:
34.8		 3sueA-1cu1A:
80.58
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.
1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE

(Escherichia
coli) 		PF00982
(Glyco_transf_20) 		4 PHE A  97
TYR A 169
ARG A 360
LEU A  94
 None
 0.81A 3sueA-1gz5A:
0.0		 3sueA-1gz5A:
18.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ns3 NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		4 PHE A  43
TYR A  56
ARG A 123
LEU A 135
 None
 0.55A 3sueA-1ns3A:
30.8		 3sueA-1ns3A:
77.50
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.
1wt5 ANTI EGFR ANTIBODY
FV REGION

(Homo sapiens) 		PF07686
(V-set) 		4 PHE A 105
TYR C  37
ARG C  59
LEU C  42
 None
 1.47A 3sueA-1wt5A:
undetectable		 3sueA-1wt5A:
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.
2qqu BETA-FRUCTOFURANOSID
ASE

(Arabidopsis
thaliana) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 PHE A 258
TYR A 246
ARG A 148
LEU A 174
 None
None
SUC  A 800 (-3.9A)
None
 1.22A 3sueA-2qquA:
0.0		 3sueA-2qquA:
16.86
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.
3a0h PHOTOSYSTEM II CORE
LIGHT HARVESTING
PROTEIN
PHOTOSYSTEM II D2
PROTEIN

(Thermosynechococcus
vulcanus) 		PF00124
(Photo_RC)
PF00421
(PSII) 		4 PHE B 464
TYR D 141
ARG D 128
LEU D 122
 MGE  B1060 ( 3.9A)
None
None
PHO  D1039 (-4.7A)
 1.31A 3sueA-3a0hB:
0.0		 3sueA-3a0hB:
16.73
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.
3h5c PROTEIN Z-DEPENDENT
PROTEASE INHIBITOR

(Homo sapiens) 		PF00079
(Serpin) 		4 PHE A 413
TYR A 214
ARG A  72
LEU A  66
 None
 1.16A 3sueA-3h5cA:
0.0		 3sueA-3h5cA:
18.91
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.
3jrp FUSION PROTEIN OF
PROTEIN TRANSPORT
PROTEIN SEC13 AND
NUCLEOPORIN NUP145

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 PHE A  66
TYR A 112
ARG A  58
LEU A  70
 None
 1.40A 3sueA-3jrpA:
undetectable		 3sueA-3jrpA:
18.41
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.
3n0t DIPEPTIDYL PEPTIDASE
2

(Homo sapiens) 		PF05577
(Peptidase_S28) 		4 PHE A 266
TYR A 314
ARG A 448
LEU A 417
 None
 1.47A 3sueA-3n0tA:
undetectable		 3sueA-3n0tA:
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.
3snx PUTATIVE SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 PHE A 305
TYR A 302
ARG A 455
LEU A 333
 None
PEG  A 495 ( 3.9A)
None
None
 1.12A 3sueA-3snxA:
undetectable		 3sueA-3snxA:
18.34
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.
3zjl PROTOGLOBIN

(Methanosarcina
acetivorans) 		PF11563
(Protoglobin) 		4 PHE A  63
TYR A 141
ARG A  92
LEU A  57
 None
None
HEM  A 200 (-4.4A)
None
 1.06A 3sueA-3zjlA:
undetectable		 3sueA-3zjlA:
22.58
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.
4m2g L-ARGININE
BETA-HYDROXYLASE

(Streptomyces
lavendulae) 		PF02668
(TauD) 		4 PHE A 159
TYR A 162
ARG A 300
LEU A 254
 None
 1.17A 3sueA-4m2gA:
undetectable		 3sueA-4m2gA:
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.
4yn2 FUSOLIN

(unidentified
entomopoxvirus) 		PF03067
(LPMO_10) 		4 PHE A 136
TYR A 223
ARG A 202
LEU A 132
 None
 0.93A 3sueA-4yn2A:
undetectable		 3sueA-4yn2A:
21.09
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.
4yzw AGAP004976-PA

(Anopheles
gambiae) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 PHE A 642
TYR A 249
ARG A 104
LEU A 228
 None
 1.50A 3sueA-4yzwA:
undetectable		 3sueA-4yzwA:
13.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eqq NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		4 PHE A1043
TYR A1056
ARG A1123
LEU A1135
 5RS  A1203 (-4.3A)
SO4  A1201 ( 4.5A)
5RS  A1203 ( 3.3A)
5RS  A1203 (-4.2A)
 0.38A 3sueA-5eqqA:
35.7		 3sueA-5eqqA:
93.50
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.
5wdx JFH-1 NS3

(Hepacivirus C) 		no annotation 4 PHE A  43
TYR A  56
ARG A 123
LEU A 135
 None
 0.42A 3sueA-5wdxA:
27.6		 3sueA-5wdxA:
21.85
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.
6avh GH3.15 ACYL ACID
AMIDO SYNTHETASE

(Arabidopsis
thaliana) 		no annotation 4 PHE A 332
TYR A 348
ARG A 405
LEU A 401
 None
AMP  A 600 (-4.0A)
None
None
 1.34A 3sueA-6avhA:
undetectable		 3sueA-6avhA:
15.34