SIMILAR PATTERNS OF AMINO ACIDS FOR 5G6S_G_RAUG400_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.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		5 SER A 353
GLN A 192
GLY A 193
VAL A 349
PHE A 518
 None
None
None
SCL  A 700 ( 4.6A)
None
 1.29A 5g6sA-1ebvA:
1.5
5g6sG-1ebvA:
0.8		 5g6sA-1ebvA:
18.78
5g6sG-1ebvA:
18.78
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.
1qaf PROTEIN (COPPER
AMINE OXIDASE)

(Escherichia
coli) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3)
PF07833
(Cu_amine_oxidN1) 		5 SER A 461
GLY A 485
VAL A 463
MET A 365
TYR A 528
 None
None
TPQ  A 466 ( 4.5A)
None
None
 1.46A 5g6sA-1qafA:
0.0
5g6sG-1qafA:
0.0		 5g6sA-1qafA:
18.36
5g6sG-1qafA:
18.36
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.
1w0m TRIOSEPHOSPHATE
ISOMERASE

(Thermoproteus
tenax) 		PF00121
(TIM)
PF05690
(ThiG) 		5 SER A  54
GLN A  53
GLY A  85
VAL A  22
LEU A  48
 None
 1.10A 5g6sA-1w0mA:
1.0
5g6sG-1w0mA:
1.3		 5g6sA-1w0mA:
26.43
5g6sG-1w0mA:
26.43
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.
2fon PEROXISOMAL ACYL-COA
OXIDASE 1A

(Solanum
lycopersicum) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 GLY A 557
VAL A 548
LEU A 555
TYR A 535
PHE A 346
 None
 1.44A 5g6sA-2fonA:
0.7
5g6sG-2fonA:
1.0		 5g6sA-2fonA:
18.91
5g6sG-2fonA:
18.91
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.
2q8n GLUCOSE-6-PHOSPHATE
ISOMERASE

(Thermotoga
maritima) 		PF00342
(PGI) 		5 SER A 259
GLN A 298
GLY A 297
LEU A 283
MET A 404
 None
 1.44A 5g6sA-2q8nA:
2.1
5g6sG-2q8nA:
1.5		 5g6sA-2q8nA:
19.40
5g6sG-2q8nA:
19.40
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.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		5 GLN A 229
GLY A 231
VAL A 177
LEU A 191
MET A 193
 None
 1.49A 5g6sA-2qe6A:
2.5
5g6sG-2qe6A:
2.6		 5g6sA-2qe6A:
24.13
5g6sG-2qe6A:
24.13
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.
2yoc PULLULANASE

(Klebsiella
oxytoca) 		PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372) 		5 SER A 417
GLN A 865
VAL A 462
MET A 447
TYR A 891
 None
 1.43A 5g6sA-2yocA:
0.5
5g6sG-2yocA:
0.3		 5g6sA-2yocA:
15.78
5g6sG-2yocA:
15.78
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.
3dwc METALLOCARBOXYPEPTID
ASE

(Trypanosoma
cruzi) 		PF02074
(Peptidase_M32) 		5 MET A 313
GLY A 307
VAL A 338
LEU A 261
PHE A 256
 None
 1.34A 5g6sA-3dwcA:
0.4
5g6sG-3dwcA:
0.4		 5g6sA-3dwcA:
21.53
5g6sG-3dwcA:
21.53
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.
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius) 		no annotation 5 GLN A 121
GLY A 123
LEU A 172
MET A 169
PHE A 162
 None
 1.25A 5g6sA-4aw7A:
undetectable
5g6sG-4aw7A:
0.2		 5g6sA-4aw7A:
21.29
5g6sG-4aw7A:
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.
4kk2 MONOTERPENE SYNTHASE
FDS-5, CHLOROPLASTIC
- FARNESYL
DIPHOSPHATE SYNTHASE
1 CHIMERA

(Artemisia
spiciformis) 		PF00348
(polyprenyl_synt) 		5 GLY A 212
VAL A  59
LEU A 209
TYR A 146
PHE A 141
 None
 1.39A 5g6sA-4kk2A:
0.7
5g6sG-4kk2A:
0.6		 5g6sA-4kk2A:
21.04
5g6sG-4kk2A:
21.04
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.
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides) 		PF00535
(Glycos_transf_2)
PF03552
(Cellulose_synt)
PF07238
(PilZ) 		5 TRP A  22
SER A  74
MET A  78
GLY A  30
LEU A  26
 None
 1.39A 5g6sA-5ej1A:
3.5
5g6sG-5ej1A:
5.0		 5g6sA-5ej1A:
16.13
5g6sG-5ej1A:
16.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g6r IMINE REDUCTASE

(Aspergillus
oryzae) 		PF03446
(NAD_binding_2) 		5 VAL A 121
LEU A 173
MET A 176
TYR A 177
PHE A 180
 NDP  A1000 ( 4.7A)
None
None
None
None
 0.67A 5g6sA-5g6rA:
37.9
5g6sG-5g6rA:
37.7		 5g6sA-5g6rA:
100.00
5g6sG-5g6rA:
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.
5o5l ADENYLATE CYCLASE

(Mycobacterium
intracellulare) 		no annotation 5 GLY A 299
VAL A 341
LEU A 276
TYR A 280
PHE A 283
 ONM  A 501 (-3.3A)
None
None
None
None
 1.26A 5g6sA-5o5lA:
undetectable
5g6sG-5o5lA:
undetectable		 5g6sA-5o5lA:
23.08
5g6sG-5o5lA:
23.08