SIMILAR PATTERNS OF AMINO ACIDS FOR 3S53_B_017B203_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.
1dov ALPHA-CATENIN

(Mus musculus) 		PF01044
(Vinculin) 		4 PRO A 115
LYS A 120
ARG A 121
GLY A 122
 None
 1.49A 3s53B-1dovA:
undetectable		 3s53B-1dovA:
18.78
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.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 TRP A  11
PRO A 356
ARG A 353
GLY A 365
 CL  A 801 (-4.4A)
None
None
None
 1.36A 3s53B-1kwgA:
0.0		 3s53B-1kwgA:
9.35
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.
1q32 TYROSYL-DNA
PHOSPHODIESTERASE

(Saccharomyces
cerevisiae) 		PF06087
(Tyr-DNA_phospho) 		4 PRO A 275
LYS A 477
ARG A 479
GLY A 472
 None
 1.50A 3s53B-1q32A:
0.0		 3s53B-1q32A:
11.42
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.
2gm8 TENA HOMOLOG/THI-4
THIAMINASE

(Pyrobaculum
aerophilum) 		PF03070
(TENA_THI-4) 		4 TRP A  14
PRO A 133
ARG A   7
GLY A   4
 None
 1.40A 3s53B-2gm8A:
undetectable		 3s53B-2gm8A:
17.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 TRP A  42
PRO A  44
LYS A  55
ARG A  57
 None
 0.96A 3s53B-2rkfA:
20.7		 3s53B-2rkfA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 TRP A  42
PRO A  44
LYS A  55
GLY A  78
 None
 0.59A 3s53B-2rkfA:
20.7		 3s53B-2rkfA:
84.85
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.
2yms OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMB

(Escherichia
coli) 		PF13360
(PQQ_2) 		4 PRO A  65
LYS A  62
ARG A 154
GLY A 113
 None
 1.27A 3s53B-2ymsA:
0.0		 3s53B-2ymsA:
22.48
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.
3bcn ERVATAMIN-A

(Tabernaemontana
divaricata) 		PF00112
(Peptidase_C1) 		4 PRO A  15
LYS A  17
ARG A 177
GLY A 176
 None
 1.23A 3s53B-3bcnA:
undetectable		 3s53B-3bcnA:
18.14
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.
3loo ANOPHELES GAMBIAE
ADENOSINE KINASE

(Anopheles
gambiae) 		PF00294
(PfkB) 		4 PRO A 283
LYS A 321
ARG A 328
GLY A 323
 None
 1.22A 3s53B-3looA:
undetectable		 3s53B-3looA:
13.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 TRP A  42
PRO A  44
ARG A  57
GLY A  78
 None
 0.27A 3s53B-3mwsA:
20.0		 3s53B-3mwsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 TRP A  42
PRO A  44
ARG A  57
GLY A  78
 None
 0.43A 3s53B-3t3cA:
18.4		 3s53B-3t3cA:
72.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 TRP A  42
PRO A  44
ARG A  57
GLY A  78
 None
 0.60A 3s53B-3uhlA:
16.0		 3s53B-3uhlA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 TRP A  42
PRO A  44
LYS A  55
ARG A  57
 None
 1.12A 3s53B-5b18A:
18.0		 3s53B-5b18A:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 TRP A  42
PRO A  44
LYS A  55
GLY A  78
 None
 0.66A 3s53B-5b18A:
18.0		 3s53B-5b18A:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 TRP A  42
PRO A  44
ARG A  57
GLY A  78
 None
 0.22A 3s53B-5t2zA:
20.1		 3s53B-5t2zA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 TRP A  42
PRO A  44
LYS A  55
GLY A  78
 None
 1.15A 3s53B-5t2zA:
20.1		 3s53B-5t2zA:
78.79
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.
5wg6 HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2,POLYCOMB
PROTEIN SUZ12
(E.C.2.1.1.43)
CHIMERA

(Homo sapiens) 		no annotation 4 TRP A 113
PRO A 115
ARG A 685
GLY A 643
 None
None
A9G  A9009 (-3.1A)
None
 1.32A 3s53B-5wg6A:
undetectable		 3s53B-5wg6A:
15.38
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.
5ywp JEV E PROTEIN

(Japanese
encephalitis
virus) 		no annotation 4 TRP A 225
PRO A 227
ARG A  57
GLY A 127
 None
 1.08A 3s53B-5ywpA:
undetectable		 3s53B-5ywpA:
14.14