SIMILAR PATTERNS OF AMINO ACIDS FOR 1M4D_B_TOYB501_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.
1i74 PROBABLE
MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Streptococcus
mutans) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 ASP A  12
GLU A  44
ALA A 292
THR A 255
ASP A 203
 MN  A 401 ( 2.0A)
None
None
None
MG  A 403 ( 4.3A)
 1.48A 1m4dB-1i74A:
1.2		 1m4dB-1i74A:
22.00
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.
1k20 MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Streptococcus
gordonii) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 ASP A  13
GLU A  46
ALA A 294
THR A 257
ASP A 205
 MN  A 701 (-2.2A)
GOL  A 710 ( 4.8A)
None
None
GOL  A 710 (-3.6A)
 1.42A 1m4dB-1k20A:
0.0		 1m4dB-1k20A:
22.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m4i AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE

(Mycobacterium
tuberculosis) 		PF13527
(Acetyltransf_9) 		8 ASP A  35
ASP A  40
GLU A  82
SER A 117
ALA A 120
ASP A 152
THR A 155
ASP A 179
 KAN  A 500 (-3.4A)
KAN  A 500 (-3.4A)
KAN  A 500 (-3.8A)
KAN  A 500 (-3.4A)
KAN  A 500 ( 4.8A)
KAN  A 500 (-3.4A)
KAN  A 500 ( 4.7A)
KAN  A 500 ( 4.3A)
 0.56A 1m4dB-1m4iA:
33.0		 1m4dB-1m4iA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m4i AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE

(Mycobacterium
tuberculosis) 		PF13527
(Acetyltransf_9) 		6 GLU A  82
SER A 117
SER A 119
ALA A 120
ASP A 152
THR A 155
 KAN  A 500 (-3.8A)
KAN  A 500 (-3.4A)
COA  A 600 ( 4.0A)
KAN  A 500 ( 4.8A)
KAN  A 500 (-3.4A)
KAN  A 500 ( 4.7A)
 0.60A 1m4dB-1m4iA:
33.0		 1m4dB-1m4iA:
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.
1qxp MU-LIKE CALPAIN

(Bos taurus;
Rattus
norvegicus) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		5 ASP A 777
ALA A 371
ASP A 497
THR A 364
ASP A 779
 None
 1.41A 1m4dB-1qxpA:
0.0		 1m4dB-1qxpA:
11.98
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.
2enx MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Streptococcus
agalactiae) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 ASP A  13
GLU A  46
ALA A 294
THR A 257
ASP A 205
 MN  A 401 (-2.6A)
None
None
None
MG  A 501 ( 4.0A)
 1.38A 1m4dB-2enxA:
0.0		 1m4dB-2enxA:
21.14
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.
2hp3 IDS-EPIMERASE

(Agrobacterium
tumefaciens) 		PF03972
(MmgE_PrpD) 		5 ASP A 349
GLU A 320
SER A 324
ALA A 331
ASP A 314
 None
 1.48A 1m4dB-2hp3A:
0.0		 1m4dB-2hp3A:
17.90
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.
3u0b OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 ASP A 204
GLU A 171
SER A 179
ALA A 180
ASP A  63
 None
 1.37A 1m4dB-3u0bA:
0.0		 1m4dB-3u0bA:
17.92
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.
4cak INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ASP A 589
ASP A 367
SER A 396
ALA A 650
ASP A 373
 None
 1.50A 1m4dB-4cakA:
0.0		 1m4dB-4cakA:
11.54
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.
4i5u CHIMERIC CEL6A

(Chaetomium
thermophilum;
Humicola
insolens;
Trichoderma
reesei) 		PF01341
(Glyco_hydro_6) 		5 ASP A 171
GLU A 220
SER A 182
ALA A 181
ASP A 138
 None
None
EDO  A 507 ( 4.3A)
None
None
 1.11A 1m4dB-4i5uA:
1.0		 1m4dB-4i5uA:
20.86
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.
4l9z MALYL-COA LYASE

(Rhodobacter
sphaeroides) 		PF03328
(HpcH_HpaI) 		5 ASP A 113
GLU A  44
SER A 142
ALA A 143
ASP A  81
 None
MG  A 403 ( 4.6A)
None
None
None
 1.38A 1m4dB-4l9zA:
undetectable		 1m4dB-4l9zA:
19.76
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.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 ASP A2055
SER A1981
ALA A1983
ASP A2098
ASP A2057
 MG  A4404 (-3.5A)
ATP  A4403 (-2.8A)
None
None
None
 1.49A 1m4dB-4rh7A:
undetectable		 1m4dB-4rh7A:
4.04
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.
5deu METHYLCYTOSINE
DIOXYGENASE TET2,
CHIMERIC CONSTRUCT

(Homo sapiens) 		PF12851
(Tet_JBP) 		5 ASP A1384
SER A1286
SER A1284
ALA A1283
THR A1259
 FE  A2003 ( 2.4A)
None
None
None
None
 1.41A 1m4dB-5deuA:
undetectable		 1m4dB-5deuA:
16.38
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.
5erd DESMOGLEIN-2

(Homo sapiens) 		PF00028
(Cadherin) 		5 ASP A 215
SER A 123
ALA A 124
THR A 177
ASP A 218
 CA  A 619 (-3.3A)
None
None
None
CA  A 620 ( 2.4A)
 1.39A 1m4dB-5erdA:
undetectable		 1m4dB-5erdA:
14.18
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.
5j5j DESMOCOLLIN-2,DESMOG
LEIN-2

(Homo sapiens) 		PF00028
(Cadherin) 		5 ASP A 213
SER A 121
ALA A 122
THR A 175
ASP A 216
 CA  A 626 (-3.2A)
None
None
None
CA  A 626 ( 2.9A)
 1.34A 1m4dB-5j5jA:
undetectable		 1m4dB-5j5jA:
14.73
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.
5ubd RCTB REPLICATION
INITIATOR PROTEIN

(Vibrio cholerae) 		no annotation 5 ASP A  60
SER A  64
ALA A  71
ASP A  17
THR A  66
 None
 1.40A 1m4dB-5ubdA:
undetectable		 1m4dB-5ubdA:
21.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5us1 AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE

(Providencia
stuartii) 		PF13673
(Acetyltransf_10) 		6 ASP A  32
ASP A  37
GLU A  79
SER A 114
SER A 116
ASP A 176
 8MM  A 201 ( 4.5A)
8MM  A 201 (-3.3A)
8MM  A 201 (-4.5A)
8MM  A 201 (-3.3A)
8MM  A 201 (-3.7A)
8MM  A 201 (-4.4A)
 0.47A 1m4dB-5us1A:
28.3		 1m4dB-5us1A:
33.52