SIMILAR PATTERNS OF AMINO ACIDS FOR 5G6S_D_RAUD400_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.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		5 VAL A 313
LEU A 365
MET A 344
MET A 205
GLY A 361
 None
 1.49A 5g6sD-1lnsA:
1.6
5g6sF-1lnsA:
1.6		 5g6sD-1lnsA:
18.29
5g6sF-1lnsA:
18.29
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.
1qaf PROTEIN (COPPER
AMINE OXIDASE)

(Escherichia
coli) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3)
PF07833
(Cu_amine_oxidN1) 		5 VAL A 463
MET A 365
TYR A 528
SER A 461
GLY A 485
 TPQ  A 466 ( 4.5A)
None
None
None
None
 1.46A 5g6sD-1qafA:
0.0
5g6sF-1qafA:
0.0		 5g6sD-1qafA:
18.36
5g6sF-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.
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 MET C 130
PHE C 349
MET C 125
SER C 243
GLY C 152
 ACO  C1003 ( 4.1A)
None
None
ACO  C1003 (-3.5A)
None
 1.49A 5g6sD-2d3tC:
0.2
5g6sF-2d3tC:
0.1		 5g6sD-2d3tC:
23.21
5g6sF-2d3tC:
23.21
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 VAL A 548
LEU A 555
TYR A 535
PHE A 346
GLY A 557
 None
 1.44A 5g6sD-2fonA:
0.7
5g6sF-2fonA:
0.7		 5g6sD-2fonA:
18.91
5g6sF-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.
3dwc METALLOCARBOXYPEPTID
ASE

(Trypanosoma
cruzi) 		PF02074
(Peptidase_M32) 		5 VAL A 338
LEU A 261
PHE A 256
MET A 313
GLY A 307
 None
 1.33A 5g6sD-3dwcA:
0.1
5g6sF-3dwcA:
0.1		 5g6sD-3dwcA:
21.53
5g6sF-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.
3g4g CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		5 VAL A 335
LEU A 315
TYR A 311
MET A 288
GLY A 403
 None
 1.14A 5g6sD-3g4gA:
0.5
5g6sF-3g4gA:
0.5		 5g6sD-3g4gA:
22.43
5g6sF-3g4gA:
22.43
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.
3o57 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 LEU A 223
MET A 220
PHE A 216
MET A 196
GLY A 311
 None
 1.21A 5g6sD-3o57A:
0.6
5g6sF-3o57A:
0.2		 5g6sD-3o57A:
22.73
5g6sF-3o57A:
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.
3o57 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 LEU A 223
MET A 220
TYR A 219
MET A 196
GLY A 311
 None
 0.90A 5g6sD-3o57A:
0.6
5g6sF-3o57A:
0.2		 5g6sD-3o57A:
22.73
5g6sF-3o57A:
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.
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		5 VAL A 169
LEU A 149
TYR A 145
MET A 122
GLY A 237
 VAL  A 169 ( 0.6A)
LEU  A 149 ( 0.6A)
TYR  A 145 ( 1.3A)
MET  A 122 ( 0.0A)
GLY  A 237 ( 0.0A)
 1.24A 5g6sD-3sl5A:
0.7
5g6sF-3sl5A:
0.0		 5g6sD-3sl5A:
22.85
5g6sF-3sl5A:
22.85
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.
3tij NUPC FAMILY PROTEIN

(Vibrio cholerae) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		5 VAL A 334
MET A 266
SER A 337
MET A 195
GLY A 191
 None
 1.11A 5g6sD-3tijA:
0.0
5g6sF-3tijA:
1.0		 5g6sD-3tijA:
24.01
5g6sF-3tijA:
24.01
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.
4kk2 MONOTERPENE SYNTHASE
FDS-5, CHLOROPLASTIC
- FARNESYL
DIPHOSPHATE SYNTHASE
1 CHIMERA

(Artemisia
spiciformis) 		PF00348
(polyprenyl_synt) 		5 VAL A  59
LEU A 209
TYR A 146
PHE A 141
GLY A 212
 None
 1.37A 5g6sD-4kk2A:
0.6
5g6sF-4kk2A:
0.6		 5g6sD-4kk2A:
21.04
5g6sF-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.
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 LEU A 395
MET A 392
PHE A 388
MET A 368
GLY A 483
 None
 1.21A 5g6sD-4wziA:
undetectable
5g6sF-4wziA:
undetectable		 5g6sD-4wziA:
19.85
5g6sF-4wziA:
19.85
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.
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 LEU A 395
MET A 392
TYR A 391
MET A 368
GLY A 483
 None
 0.93A 5g6sD-4wziA:
undetectable
5g6sF-4wziA:
undetectable		 5g6sD-4wziA:
19.85
5g6sF-4wziA:
19.85
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 LEU A  26
TRP A  22
SER A  74
MET A  78
GLY A  30
 None
 1.39A 5g6sD-5ej1A:
4.8
5g6sF-5ej1A:
5.1		 5g6sD-5ej1A:
16.13
5g6sF-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
 0.59A 5g6sD-5g6rA:
37.9
5g6sF-5g6rA:
37.8		 5g6sD-5g6rA:
100.00
5g6sF-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 VAL A 341
LEU A 276
TYR A 280
PHE A 283
GLY A 299
 None
None
None
None
ONM  A 501 (-3.3A)
 1.30A 5g6sD-5o5lA:
undetectable
5g6sF-5o5lA:
undetectable		 5g6sD-5o5lA:
23.08
5g6sF-5o5lA:
23.08
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.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 5 LEU A 395
MET A 392
PHE A 388
MET A 368
GLY A 483
 None
 1.24A 5g6sD-5ohjA:
undetectable
5g6sF-5ohjA:
undetectable		 5g6sD-5ohjA:
12.54
5g6sF-5ohjA:
12.54
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.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 5 LEU A 395
MET A 392
TYR A 391
MET A 368
GLY A 483
 None
 0.94A 5g6sD-5ohjA:
undetectable
5g6sF-5ohjA:
undetectable		 5g6sD-5ohjA:
12.54
5g6sF-5ohjA:
12.54
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.
5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		no annotation 5 VAL A 169
LEU A 149
TYR A 145
MET A 122
GLY A 237
 None
 1.21A 5g6sD-5wh6A:
0.7
5g6sF-5wh6A:
0.7		 5g6sD-5wh6A:
undetectable
5g6sF-5wh6A:
undetectable