SIMILAR PATTERNS OF AMINO ACIDS FOR 5GSM_B_GCSB801_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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 TYR A  96
GLU A 142
GLU A 200
GLU A 299
TYR A 343
 GAL  A9011 (-4.7A)
GAL  A9011 (-2.8A)
GAL  A9011 (-2.5A)
GAL  A9011 (-2.7A)
GAL  A9011 (-4.2A)
 0.71A 5gsmB-1xc6A:
36.5		 5gsmB-1xc6A:
23.64
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.
2csd TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		5 GLY A 224
GLU A 185
GLU A 435
LEU A 381
GLU A 412
 None
 1.26A 5gsmB-2csdA:
undetectable		 5gsmB-2csdA:
21.95
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.
3d3a BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01301
(Glyco_hydro_35) 		6 TYR A  77
CYH A 121
GLU A 123
GLU A 182
GLU A 259
TYR A 297
 None
 0.99A 5gsmB-3d3aA:
15.2		 5gsmB-3d3aA:
26.51
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.
3ogr BETA-GALACTOSIDASE

(Trichoderma
reesei) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 TYR A  96
GLU A 142
GLU A 200
GLU A 298
TYR A 342
 GAL  A1024 (-4.6A)
GAL  A1024 (-2.8A)
GAL  A1024 (-2.5A)
GAL  A1024 (-2.7A)
GAL  A1024 (-4.4A)
 0.84A 5gsmB-3ogrA:
14.8		 5gsmB-3ogrA:
23.66
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.
3thc BETA-GALACTOSIDASE

(Homo sapiens) 		PF01301
(Glyco_hydro_35)
PF13364
(BetaGal_dom4_5) 		6 TYR A  83
CYH A 127
GLU A 129
GLU A 188
GLU A 268
TYR A 306
 CL  A 801 (-4.2A)
GAL  A 900 (-3.3A)
GAL  A 900 (-2.8A)
GAL  A 900 (-2.5A)
GAL  A 900 (-2.5A)
GAL  A 900 (-4.6A)
 0.71A 5gsmB-3thcA:
33.2		 5gsmB-3thcA:
27.36
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.
3w5f BETA-GALACTOSIDASE

(Solanum
lycopersicum) 		PF01301
(Glyco_hydro_35) 		6 TYR A  74
CYH A 118
GLU A 120
GLU A 181
GLU A 250
TYR A 289
 CL  A 807 (-4.2A)
EPE  A 804 ( 3.7A)
EPE  A 804 (-3.4A)
EPE  A 804 (-3.3A)
EPE  A 804 (-3.8A)
EPE  A 804 (-3.9A)
 0.60A 5gsmB-3w5fA:
20.1		 5gsmB-3w5fA:
22.73
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 GLY A 479
ASP A 412
LEU A 413
GLU A 417
GLU A 415
 None
 1.37A 5gsmB-4b9yA:
11.1		 5gsmB-4b9yA:
22.40
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.
4e8d GLYCOSYL HYDROLASE,
FAMILY 35

(Streptococcus
pneumoniae) 		PF01301
(Glyco_hydro_35) 		6 TYR A  52
CYH A  96
GLU A  98
GLU A 156
GLU A 238
TYR A 275
 None
 0.74A 5gsmB-4e8dA:
30.1		 5gsmB-4e8dA:
25.98
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.
4iug BETA-GALACTOSIDASE A

(Aspergillus
oryzae) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 TYR A  96
GLU A 142
GLU A 200
GLU A 298
TYR A 342
 GAL  A1130 (-4.7A)
GAL  A1130 ( 2.8A)
GAL  A1130 (-2.4A)
GAL  A1130 (-2.4A)
GAL  A1130 (-4.2A)
 0.68A 5gsmB-4iugA:
32.1		 5gsmB-4iugA:
23.43
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.
4mad BETA-GALACTOSIDASE

(Bacillus
circulans) 		PF01301
(Glyco_hydro_35) 		6 TYR A  52
CYH A  96
GLU A  98
GLU A 157
GLU A 233
TYR A 271
 None
PG0  A 900 ( 4.6A)
PG0  A 900 (-3.2A)
None
None
None
 0.79A 5gsmB-4madA:
36.2		 5gsmB-4madA:
25.68
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.
5ev7 CONSERVED DOMAIN
PROTEIN

(Bacillus
anthracis) 		PF13402
(Peptidase_M60)
PF17291
(M60-like_N) 		5 TYR A 130
GLY A 100
GLU A 105
LEU A 185
GLU A 178
 None
 1.44A 5gsmB-5ev7A:
undetectable		 5gsmB-5ev7A:
20.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gsl 778AA LONG
HYPOTHETICAL
BETA-GALACTOSIDASE

(Pyrococcus
horikoshii) 		PF02449
(Glyco_hydro_42) 		5 CYH A 103
GLY A 104
GLU A 105
GLU A 186
LEU A 284
 PO4  A 802 (-3.1A)
PO4  A 802 (-3.9A)
PO4  A 802 (-2.8A)
None
None
 1.26A 5gsmB-5gslA:
63.7		 5gsmB-5gslA:
62.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gsl 778AA LONG
HYPOTHETICAL
BETA-GALACTOSIDASE

(Pyrococcus
horikoshii) 		PF02449
(Glyco_hydro_42) 		5 GLY A 104
GLU A 105
GLU A 186
LEU A 284
GLU A 181
 PO4  A 802 (-3.9A)
PO4  A 802 (-2.8A)
None
None
PO4  A 802 (-3.4A)
 1.45A 5gsmB-5gslA:
63.7		 5gsmB-5gslA:
62.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gsl 778AA LONG
HYPOTHETICAL
BETA-GALACTOSIDASE

(Pyrococcus
horikoshii) 		PF02449
(Glyco_hydro_42) 		12 TYR A  55
CYH A 103
GLY A 104
GLU A 105
ASP A 180
GLU A 181
LEU A 280
GLU A 308
TRP A 310
GLU A 349
TYR A 381
TRP A 400
 None
PO4  A 802 (-3.1A)
PO4  A 802 (-3.9A)
PO4  A 802 (-2.8A)
None
PO4  A 802 (-3.4A)
None
PO4  A 802 ( 4.4A)
PO4  A 802 (-3.9A)
PO4  A 802 (-3.6A)
PO4  A 802 (-4.2A)
None
 0.44A 5gsmB-5gslA:
63.7		 5gsmB-5gslA:
62.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gsl 778AA LONG
HYPOTHETICAL
BETA-GALACTOSIDASE

(Pyrococcus
horikoshii) 		PF02449
(Glyco_hydro_42) 		5 TYR A 101
GLU A 105
GLU A 186
LEU A 284
GLU A 181
 None
PO4  A 802 (-2.8A)
None
None
PO4  A 802 (-3.4A)
 1.46A 5gsmB-5gslA:
63.7		 5gsmB-5gslA:
62.86
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.
6eon BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 TYR A  77
CYH A 121
GLU A 123
GLU A 259
TYR A 297
 GLA  A 801 (-4.5A)
GLA  A 801 (-3.3A)
GLA  A 801 (-2.8A)
GLA  A 801 (-2.7A)
GLA  A 801 (-4.5A)
 0.36A 5gsmB-6eonA:
36.7		 5gsmB-6eonA:
24.86