SIMILAR PATTERNS OF AMINO ACIDS FOR 5O45_B_CCSB13

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.
1vme FLAVOPROTEIN

(Thermotoga
maritima) 		PF00258
(Flavodoxin_1) 		5 ASN A  84
VAL A 157
PHE A 165
TYR A  43
GLY A 227
 None
 1.10A 5o45A-1vmeA:
0.0
5o45B-1vmeA:
undetectable		 5o45A-1vmeA:
15.66
5o45B-1vmeA:
7.79
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.
3hp7 HEMOLYSIN, PUTATIVE

(Streptococcus
thermophilus) 		PF01479
(S4)
PF01728
(FtsJ) 		5 GLU A 239
ASN A 237
VAL A 199
PHE A 186
LEU A 181
 None
 1.47A 5o45A-3hp7A:
0.0
5o45B-3hp7A:
undetectable		 5o45A-3hp7A:
17.79
5o45B-3hp7A:
9.64
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.
3uug MULTIPLE
SUGAR-BINDING
PERIPLASMIC RECEPTOR
CHVE

(Agrobacterium
fabrum) 		PF13407
(Peripla_BP_4) 		5 TYR A 200
GLU A 135
ASN A 133
TYR A 199
GLY A 171
 None
 1.16A 5o45A-3uugA:
0.0
5o45B-3uugA:
undetectable		 5o45A-3uugA:
17.36
5o45B-3uugA:
5.11
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.
3vil BETA-GLUCOSIDASE

(Neotermes
koshunensis) 		PF00232
(Glyco_hydro_1) 		5 ASP A 126
ASN A 180
VAL A 176
TYR A 128
GLY A 124
 None
NA  A 510 (-3.6A)
NA  A 510 ( 4.4A)
None
None
 1.44A 5o45A-3vilA:
0.0
5o45B-3vilA:
undetectable		 5o45A-3vilA:
15.61
5o45B-3vilA:
3.45
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.
4l9a PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1393C

(Streptococcus
mutans) 		no annotation 5 ASP A  40
PHE A  35
TYR A 181
LEU A 177
GLY A 180
 None
 1.36A 5o45A-4l9aA:
0.0
5o45B-4l9aA:
undetectable		 5o45A-4l9aA:
18.73
5o45B-4l9aA:
5.58
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.
4piv FATTY ACID SYNTHASE

(Homo sapiens) 		PF08242
(Methyltransf_12)
PF08659
(KR) 		5 GLU A1244
ASN A1316
VAL A1319
TYR A1253
GLY A1248
 None
 1.45A 5o45A-4pivA:
0.0
5o45B-4pivA:
undetectable		 5o45A-4pivA:
12.12
5o45B-4pivA:
1.97
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.
5k0u CAPSID PROTEIN VP1
CAPSID PROTEIN VP2

(Rhinovirus C;
Rhinovirus C) 		PF00073
(Rhv)
PF00073
(Rhv) 		5 GLU C 129
ASP A 183
ASN C 222
TYR A 179
GLY A 184
 None
 1.41A 5o45A-5k0uC:
0.0
5o45B-5k0uC:
undetectable		 5o45A-5k0uC:
17.54
5o45B-5k0uC:
4.86
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.
5vkt CINNAMYL ALCOHOL
DEHYDROGENASES
(SBCAD4)

(Sorghum bicolor) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 TYR A 346
GLU A 221
ASP A 220
VAL A 211
GLY A 217
 None
 1.21A 5o45A-5vktA:
0.0
5o45B-5vktA:
undetectable		 5o45A-5vktA:
19.14
5o45B-5vktA:
7.04
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.
5wgx FLAVIN-DEPENDENT
HALOGENASE

(Malbranchea
aurantiaca) 		PF04820
(Trp_halogenase) 		5 TYR A 114
ASN A 255
VAL A 266
PHE A 246
LEU A 248
 None
 1.36A 5o45A-5wgxA:
undetectable
5o45B-5wgxA:
undetectable		 5o45A-5wgxA:
11.63
5o45B-5wgxA:
2.02
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.
6gun -

(-) 		no annotation 5 ASP A 106
VAL A 116
TYR A 156
LEU A 107
GLY A 104
 None
 1.31A 5o45A-6gunA:
undetectable
5o45B-6gunA:
undetectable		 5o45A-6gunA:
undetectable
5o45B-6gunA:
undetectable