SIMILAR PATTERNS OF AMINO ACIDS FOR 6DM0_D_CYZD1302

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.
1wa5 IMPORTIN ALPHA
RE-EXPORTER

(Saccharomyces
cerevisiae) 		PF03378
(CAS_CSE1)
PF03810
(IBN_N)
PF08506
(Cse1) 		5 GLY C 106
LEU C 128
LEU C 212
ASP C 215
LYS C 211
 None
 1.48A 6dm0A-1wa5C:
2.4
6dm0D-1wa5C:
3.4		 6dm0A-1wa5C:
6.01
6dm0D-1wa5C:
6.01
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.
2ijz PROBABLE M18-FAMILY
AMINOPEPTIDASE 2

(Pseudomonas
aeruginosa) 		PF02127
(Peptidase_M18) 		5 PRO A 175
GLY A 105
SER A 123
LEU A 102
LEU A 208
 None
 1.42A 6dm0A-2ijzA:
1.3
6dm0D-2ijzA:
undetectable		 6dm0A-2ijzA:
11.85
6dm0D-2ijzA:
11.85
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.
2n0s FE-HYDROGENASE
FERREDOXIN,
CHLOROPLASTIC

(Chlamydomonas
reinhardtii;
Chlamydomonas
reinhardtii) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C)
PF00111
(Fer2) 		5 PRO A 378
GLY A 383
SER B  44
LEU B  33
ASP B  32
 FES  B 101 ( 4.4A)
None
None
None
None
 1.14A 6dm0A-2n0sA:
undetectable
6dm0D-2n0sA:
undetectable		 6dm0A-2n0sA:
9.48
6dm0D-2n0sA:
9.48
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.
3h6t GLUTAMATE RECEPTOR 2

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		5 MET A 107
SER A 108
LEU A 239
LEU A 247
LYS A 251
 None
CYZ  A 265 (-2.8A)
CYZ  A 265 (-4.7A)
CYZ  A 265 (-4.3A)
CYZ  A 265 ( 4.4A)
 0.77A 6dm0A-3h6tA:
21.2
6dm0D-3h6tA:
1.4		 6dm0A-3h6tA:
15.44
6dm0D-3h6tA:
15.44
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.
3iqd OCTOPINE
DEHYDROGENASE

(Pecten maximus) 		PF02317
(Octopine_DH) 		5 PRO B 383
GLY B 339
LEU B 391
LEU B 269
ASP B 272
 None
 1.24A 6dm0A-3iqdB:
5.1
6dm0D-3iqdB:
5.0		 6dm0A-3iqdB:
11.28
6dm0D-3iqdB:
11.28
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.
3p1w RABGDI PROTEIN

(Plasmodium
falciparum) 		PF00996
(GDI) 		5 PRO A 243
GLY A  13
SER A  20
LEU A 259
LEU A  33
 None
 1.48A 6dm0A-3p1wA:
undetectable
6dm0D-3p1wA:
undetectable		 6dm0A-3p1wA:
10.48
6dm0D-3p1wA:
10.48
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.
3t7b ACETYLGLUTAMATE
KINASE

(Yersinia pestis) 		PF00696
(AA_kinase) 		5 GLY A 252
LEU A 178
LEU A   4
ASP A 174
LYS A   0
 None
 1.40A 6dm0A-3t7bA:
1.4
6dm0D-3t7bA:
1.8		 6dm0A-3t7bA:
14.86
6dm0D-3t7bA:
14.86
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.
3tc8 LEUCINE
AMINOPEPTIDASE

(Parabacteroides
distasonis) 		PF04389
(Peptidase_M28) 		5 PRO A 167
SER A 108
GLY A 170
LEU A 119
LEU A  78
 None
 1.38A 6dm0A-3tc8A:
1.9
6dm0D-3tc8A:
1.8		 6dm0A-3tc8A:
13.82
6dm0D-3tc8A:
13.82
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 PRO A  47
GLY A  39
SER A 189
LEU A 221
ASP A 222
 None
 1.35A 6dm0A-3um6A:
2.2
6dm0D-3um6A:
3.2		 6dm0A-3um6A:
9.96
6dm0D-3um6A:
9.96
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.
4fuu LEUCINE
AMINOPEPTIDASE

(Bacteroides
thetaiotaomicron) 		PF04389
(Peptidase_M28) 		5 PRO A 169
SER A 110
GLY A 172
LEU A 121
LEU A  80
 None
 1.24A 6dm0A-4fuuA:
1.7
6dm0D-4fuuA:
1.4		 6dm0A-4fuuA:
14.44
6dm0D-4fuuA:
14.44
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.
4g8k 2-5A-DEPENDENT
RIBONUCLEASE

(Homo sapiens) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		5 GLY A 273
LEU A 279
LEU A 304
ASP A 303
LYS A 326
 None
 1.09A 6dm0A-4g8kA:
undetectable
6dm0D-4g8kA:
undetectable		 6dm0A-4g8kA:
11.42
6dm0D-4g8kA:
11.42
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.
4jat ALPHA-PYRONE
SYNTHESIS POLYKETIDE
SYNTHASE-LIKE PKS11

(Mycobacterium
tuberculosis) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 PRO A 341
GLY A 229
SER A 312
LEU A 245
LEU A 187
 PLM  A 400 ( 4.5A)
None
PLM  A 400 (-2.5A)
None
None
 1.49A 6dm0A-4jatA:
undetectable
6dm0D-4jatA:
undetectable		 6dm0A-4jatA:
11.01
6dm0D-4jatA:
11.01
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.
4ln9 RIFAMYCIN POLYKETIDE
SYNTHASE

(Amycolatopsis
mediterranei) 		PF14765
(PS-DH) 		5 PRO A  91
GLY A  95
SER A  43
LEU A  88
LEU A  20
 None
 1.49A 6dm0A-4ln9A:
undetectable
6dm0D-4ln9A:
undetectable		 6dm0A-4ln9A:
12.31
6dm0D-4ln9A:
12.31
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.
5gqr LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE TDR

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 PRO B 362
GLY B 342
SER B 388
LEU B 350
LEU B 395
 None
 1.22A 6dm0A-5gqrB:
undetectable
6dm0D-5gqrB:
undetectable		 6dm0A-5gqrB:
8.32
6dm0D-5gqrB:
8.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l1b GLUTAMATE RECEPTOR
2,GLUTAMATE RECEPTOR
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 MET A 496
LEU A 751
LEU A 759
ASP A 760
LYS A 763
 None
 0.80A 6dm0A-5l1bA:
42.9
6dm0D-5l1bA:
40.1		 6dm0A-5l1bA:
100.00
6dm0D-5l1bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l1b GLUTAMATE RECEPTOR
2,GLUTAMATE RECEPTOR
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 MET A 496
SER A 497
LEU A 751
LEU A 759
LYS A 763
 None
 0.78A 6dm0A-5l1bA:
42.9
6dm0D-5l1bA:
40.1		 6dm0A-5l1bA:
100.00
6dm0D-5l1bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wel CHIMERA OF GLUTAMATE
RECEPTOR 2, GERM
CELL-SPECIFIC GENE
1-LIKE PROTEIN

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF07803
(GSG-1)
PF10613
(Lig_chan-Glu_bd) 		6 MET A 496
SER A 497
LEU A 751
LEU A 759
ASP A 760
LYS A 763
 None
 0.80A 6dm0A-5welA:
43.2
6dm0D-5welA:
53.0		 6dm0A-5welA:
100.00
6dm0D-5welA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		6 MET A 496
SER A 497
LEU A 751
LEU A 759
ASP A 760
LYS A 763
 CYZ  A1302 (-4.3A)
CYZ  A1302 (-3.2A)
None
None
CYZ  A1302 (-3.8A)
CYZ  A1302 (-2.9A)
 0.47A 6dm0A-5weoA:
45.4
6dm0D-5weoA:
56.0		 6dm0A-5weoA:
100.00
6dm0D-5weoA:
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.
6f4e CATALYTIC DOMAIN OF
BOTULINUM NEUROTOXIN
X

(Clostridium
botulinum) 		no annotation 5 PRO A 174
GLY A 180
SER A 132
LEU A 297
LEU A 129
 None
 1.32A 6dm0A-6f4eA:
0.7
6dm0D-6f4eA:
0.5		 6dm0A-6f4eA:
17.05
6dm0D-6f4eA:
17.05