SIMILAR PATTERNS OF AMINO ACIDS FOR 3KO0_G_TFPG202_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.
1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)

(Escherichia
coli) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ASP A  71
SER A 106
PHE A  56
GLU A 191
ASP A 233
 None
None
None
CER  A 413 (-3.7A)
None
 1.48A 3ko0E-1b3nA:
undetectable
3ko0F-1b3nA:
undetectable
3ko0G-1b3nA:
undetectable
3ko0H-1b3nA:
undetectable		 3ko0E-1b3nA:
12.50
3ko0F-1b3nA:
12.50
3ko0G-1b3nA:
12.50
3ko0H-1b3nA:
12.50
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.
1dk8 AXIN

(Homo sapiens) 		PF00615
(RGS) 		5 ILE A 226
CYH A 158
PHE A 161
GLU A 225
ASP A 220
 None
 1.31A 3ko0E-1dk8A:
undetectable
3ko0F-1dk8A:
undetectable
3ko0G-1dk8A:
undetectable
3ko0H-1dk8A:
1.6		 3ko0E-1dk8A:
20.81
3ko0F-1dk8A:
20.81
3ko0G-1dk8A:
20.81
3ko0H-1dk8A:
20.81
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.
1u08 HYPOTHETICAL
AMINOTRANSFERASE
YBDL

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 SER A 161
ILE A 119
PHE A 198
GLU A 117
ASP A 116
 None
 1.35A 3ko0E-1u08A:
0.0
3ko0F-1u08A:
undetectable
3ko0G-1u08A:
undetectable
3ko0H-1u08A:
undetectable		 3ko0E-1u08A:
13.17
3ko0F-1u08A:
13.17
3ko0G-1u08A:
13.17
3ko0H-1u08A:
13.17
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.
3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN

(Aeropyrum
pernix) 		PF13458
(Peripla_BP_6) 		5 ASP A 164
SER A 171
PHE A 410
ILE A 395
PHE A 298
 None
 1.16A 3ko0E-3eafA:
undetectable
3ko0F-3eafA:
undetectable
3ko0G-3eafA:
undetectable
3ko0H-3eafA:
undetectable		 3ko0E-3eafA:
12.92
3ko0F-3eafA:
12.92
3ko0G-3eafA:
12.92
3ko0H-3eafA:
12.92
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.
3eua PUTATIVE
FRUCTOSE-AMINOACID-6
-PHOSPHATE DEGLYCASE

(Bacillus
subtilis) 		PF01380
(SIS) 		5 PHE A  46
SER A  50
PHE A  28
GLU A 152
ASP A  25
 None
 1.38A 3ko0E-3euaA:
0.0
3ko0F-3euaA:
0.0
3ko0G-3euaA:
0.0
3ko0H-3euaA:
0.0		 3ko0E-3euaA:
17.58
3ko0F-3euaA:
17.58
3ko0G-3euaA:
17.58
3ko0H-3euaA:
17.58
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.
3fmx TARTRATE
DEHYDROGENASE/DECARB
OXYLASE

(Pseudomonas
putida) 		PF00180
(Iso_dh) 		5 ASP X 250
SER X 253
SER X 268
PHE X 281
GLU X 282
 NAI  X 401 ( 4.5A)
None
None
None
NAI  X 401 ( 3.2A)
 1.38A 3ko0E-3fmxX:
undetectable
3ko0F-3fmxX:
undetectable
3ko0G-3fmxX:
0.0
3ko0H-3fmxX:
undetectable		 3ko0E-3fmxX:
13.35
3ko0F-3fmxX:
13.35
3ko0G-3fmxX:
13.35
3ko0H-3fmxX:
13.35
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.
3kby PUTATIVE
UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF10804
(DUF2538) 		5 SER A 113
PHE A 110
ILE A 109
GLU A 103
ASP A 106
 None
 1.11A 3ko0E-3kbyA:
undetectable
3ko0F-3kbyA:
undetectable
3ko0G-3kbyA:
undetectable
3ko0H-3kbyA:
undetectable		 3ko0E-3kbyA:
21.13
3ko0F-3kbyA:
21.13
3ko0G-3kbyA:
21.13
3ko0H-3kbyA:
21.13
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.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		5 SER A 260
PHE A 291
SER A 188
ILE A 236
CYH A 172
 None
 1.44A 3ko0E-3upyA:
0.0
3ko0F-3upyA:
undetectable
3ko0G-3upyA:
0.0
3ko0H-3upyA:
undetectable		 3ko0E-3upyA:
12.68
3ko0F-3upyA:
12.68
3ko0G-3upyA:
12.68
3ko0H-3upyA:
12.68
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.
4mnd CTP
L-MYO-INOSITOL-1-PHO
SPHATE
CYTIDYLYLTRANSFERASE
/CDP-L-MYO-INOSITOL
MYO-INOSITOLPHOSPHOT
RANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf)
PF12804
(NTP_transf_3) 		5 ASP A 296
SER A 300
SER A 308
ILE A 363
GLU A 362
 None
 1.39A 3ko0E-4mndA:
0.3
3ko0F-4mndA:
undetectable
3ko0G-4mndA:
1.0
3ko0H-4mndA:
undetectable		 3ko0E-4mndA:
12.84
3ko0F-4mndA:
12.84
3ko0G-4mndA:
12.84
3ko0H-4mndA:
12.84
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.
4wzz PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		5 ASP A 169
PHE A 355
ILE A 360
GLU A 356
ASP A 281
 None
EDO  A 403 ( 4.8A)
None
None
None
 1.31A 3ko0E-4wzzA:
undetectable
3ko0F-4wzzA:
undetectable
3ko0G-4wzzA:
undetectable
3ko0H-4wzzA:
undetectable		 3ko0E-4wzzA:
13.01
3ko0F-4wzzA:
13.01
3ko0G-4wzzA:
13.01
3ko0H-4wzzA:
13.01
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.
5iva LPS-ASSEMBLY PROTEIN
LPTD

(Pseudomonas
aeruginosa) 		PF04453
(OstA_C) 		5 ASP A  57
SER A  56
PHE A 611
PHE A 572
ASP A 593
 None
C8E  A 702 ( 4.9A)
None
None
None
 1.44A 3ko0E-5ivaA:
undetectable
3ko0F-5ivaA:
undetectable
3ko0G-5ivaA:
undetectable
3ko0H-5ivaA:
undetectable		 3ko0E-5ivaA:
10.61
3ko0F-5ivaA:
10.61
3ko0G-5ivaA:
10.61
3ko0H-5ivaA:
10.61
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.
5ksh PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 ASP A 346
SER A 363
PHE A 420
SER A 368
ILE A 413
 None
 1.19A 3ko0E-5kshA:
0.0
3ko0F-5kshA:
undetectable
3ko0G-5kshA:
0.0
3ko0H-5kshA:
undetectable		 3ko0E-5kshA:
10.70
3ko0F-5kshA:
10.70
3ko0G-5kshA:
10.70
3ko0H-5kshA:
10.70
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.
6cet GATOR COMPLEX
PROTEIN DEPDC5
GATOR COMPLEX
PROTEIN NPRL2

(Homo sapiens) 		no annotation 5 SER N 187
SER D 301
PHE D 343
GLU D 344
ASP D 395
 None
 1.36A 3ko0E-6cetN:
0.0
3ko0F-6cetN:
undetectable
3ko0G-6cetN:
0.0
3ko0H-6cetN:
undetectable		 3ko0E-6cetN:
21.36
3ko0F-6cetN:
21.36
3ko0G-6cetN:
21.36
3ko0H-6cetN:
21.36