SIMILAR PATTERNS OF AMINO ACIDS FOR 5V1S_A_SAMA604_0

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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A 573
GLU A  45
THR A  38
VAL A 230
SER A 177
 None
 1.48A 5v1sA-1gpeA:
0.0		 5v1sA-1gpeA:
21.29
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.
1jy1 TYROSYL-DNA
PHOSPHODIESTERASE

(Homo sapiens) 		PF06087
(Tyr-DNA_phospho) 		5 SER A 403
GLN A 470
VAL A 401
TYR A 441
SER A 399
 None
 1.49A 5v1sA-1jy1A:
2.0		 5v1sA-1jy1A:
22.50
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.
1wcm DNA-DIRECTED RNA
POLYMERASE II 32 KDA
POLYPEPTIDE

(Saccharomyces
cerevisiae) 		PF03874
(RNA_pol_Rpb4) 		5 LEU D 172
GLU D 206
THR D 170
VAL D 163
SER D 182
 None
 1.48A 5v1sA-1wcmD:
undetectable		 5v1sA-1wcmD:
20.49
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.
2w5f ENDO-1,4-BETA-XYLANA
SE Y

(Ruminiclostridium
thermocellum) 		PF00331
(Glyco_hydro_10)
PF02018
(CBM_4_9) 		5 LEU A 209
GLU A 233
THR A 213
TYR A  84
SER A  85
 None
XYP  A1002 (-3.5A)
None
None
None
 1.49A 5v1sA-2w5fA:
0.0		 5v1sA-2w5fA:
24.43
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.
2ywm GLUTAREDOXIN-LIKE
PROTEIN

(Aquifex
aeolicus) 		PF13192
(Thioredoxin_3) 		5 LEU A 123
GLU A 125
THR A 127
VAL A 134
TYR A 167
 None
 1.37A 5v1sA-2ywmA:
0.2		 5v1sA-2ywmA:
20.35
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.
3h7l ENDOGLUCANASE

(Vibrio
parahaemolyticus) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		5 LEU A  96
GLU A  11
SER A 568
GLN A 569
SER A 175
 None
 1.39A 5v1sA-3h7lA:
0.0		 5v1sA-3h7lA:
22.39
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.
3upg OUTER MEMBRANE
PROTEIN C

(Salmonella
enterica) 		PF00267
(Porin_1) 		5 THR A 229
SER A 227
GLN A 225
ASN A 246
TYR A  98
 None
 1.46A 5v1sA-3upgA:
0.0		 5v1sA-3upgA:
20.55
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.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 THR A 539
SER A 530
ASN A 527
VAL A 523
TYR A 580
 None
None
None
None
ARG  A1101 (-4.5A)
 1.41A 5v1sA-4j3bA:
0.0		 5v1sA-4j3bA:
19.11
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.
4jza UNCHARACTERIZED
PROTEIN

(Legionella
longbeachae) 		no annotation 5 LEU A 145
THR A 147
SER A 602
TYR A  41
SER A  44
 None
 1.50A 5v1sA-4jzaA:
0.0		 5v1sA-4jzaA:
21.59
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.
5kss 5'-NUCLEOTIDASE SURE

(Xylella
fastidiosa) 		PF01975
(SurE) 		5 LEU A 183
THR A 232
SER A 230
ASN A 166
VAL A 126
 None
 1.16A 5v1sA-5kssA:
undetectable		 5v1sA-5kssA:
17.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v1s RADICAL SAM

(Streptococcus
suis) 		PF04055
(Radical_SAM)
PF13394
(Fer4_14) 		9 LEU A 158
GLU A 161
THR A 185
SER A 210
GLN A 212
ASN A 247
VAL A 249
TYR A 278
SER A 279
 SAM  A 604 ( 4.0A)
SAM  A 604 (-4.4A)
SAM  A 604 (-3.8A)
SAM  A 604 (-2.4A)
SAM  A 604 ( 4.1A)
SAM  A 604 (-3.8A)
SAM  A 604 (-4.2A)
SAM  A 604 ( 4.9A)
SAM  A 604 (-4.9A)
 0.03A 5v1sA-5v1sA:
65.5		 5v1sA-5v1sA:
100.00