SIMILAR PATTERNS OF AMINO ACIDS FOR 4WW7_A_ACTA302

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.
1tdf THIOREDOXIN
REDUCTASE

(Escherichia
coli) 		PF07992
(Pyr_redox_2) 		4 PRO A  15
MET A  65
LEU A  59
TRP A  52
 FAD  A 500 (-3.6A)
None
None
None
 1.31A 4ww7A-1tdfA:
0.0		 4ww7A-1tdfA:
22.45
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.
1tqj RIBULOSE-PHOSPHATE
3-EPIMERASE

(Synechocystis
sp.) 		PF00834
(Ribul_P_3_epim) 		4 PRO A 145
MET A  70
HIS A  68
LEU A 139
 None
 1.34A 4ww7A-1tqjA:
0.0		 4ww7A-1tqjA:
20.93
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.
2aey FRUCTAN
1-EXOHYDROLASE IIA

(Cichorium
intybus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 PRO A  94
MET A  27
HIS A  34
TRP A 125
 None
 1.18A 4ww7A-2aeyA:
0.0		 4ww7A-2aeyA:
17.79
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.
3m1u PUTATIVE
GAMMA-D-GLUTAMYL-L-D
IAMINO ACID
ENDOPEPTIDASE

(Desulfovibrio
vulgaris) 		PF00877
(NLPC_P60)
PF12912
(N_NLPC_P60)
PF12913
(SH3_6)
PF12914
(SH3_7) 		4 PRO A 436
MET A 410
HIS A 392
LEU A 389
 None
GOL  A   8 (-4.4A)
GOL  A   8 (-4.0A)
None
 1.41A 4ww7A-3m1uA:
0.0		 4ww7A-3m1uA:
21.48
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.
3v64 LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 4

(Rattus
norvegicus) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		4 PRO C 696
MET C 564
HIS C 562
LEU C 627
 None
 1.42A 4ww7A-3v64C:
0.9		 4ww7A-3v64C:
20.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ww7 EKC/KEOPS COMPLEX
SUBUNIT BUD32

(Saccharomyces
cerevisiae) 		PF06293
(Kdo) 		5 PRO A 114
MET A 128
HIS A 129
LEU A 137
TRP A 176
 ACT  A 302 ( 4.8A)
ACT  A 302 ( 4.5A)
ACT  A 302 (-4.1A)
None
ACT  A 302 (-4.3A)
 0.00A 4ww7A-4ww7A:
40.9		 4ww7A-4ww7A:
100.00
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.
5all SOLUBLE EPOXIDE
HYDROLASE

(Homo sapiens) 		PF00561
(Abhydrolase_1)
PF13419
(HAD_2) 		4 PRO A 279
MET A 145
HIS A 146
LEU A 110
 None
 1.47A 4ww7A-5allA:
0.0		 4ww7A-5allA:
18.95
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.
5usx THIOREDOXIN
REDUCTASE

(Vibrio
vulnificus) 		PF07992
(Pyr_redox_2) 		4 PRO A  16
MET A  66
LEU A  60
TRP A  53
 FAD  A 402 (-3.9A)
None
None
None
 1.26A 4ww7A-5usxA:
0.0		 4ww7A-5usxA:
21.32