SIMILAR PATTERNS OF AMINO ACIDS FOR 1M4G_A_RIOA500_0

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.
1huj INORGANIC
PYROPHOSPHATASE

(Saccharomyces
cerevisiae) 		PF00719
(Pyrophosphatase) 		5 ASP A 120
ASP A 152
GLU A 150
GLY A 114
ASP A  71
 MG  A 282 (-2.6A)
MG  A 282 (-2.8A)
None
None
None
 1.46A 1m4gA-1hujA:
0.0		 1m4gA-1hujA:
21.83
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.
1jyl CTP:PHOSPHOCHOLINE
CYTIDYLYLTRANSFERASE

(Streptococcus
pneumoniae) 		PF00483
(NTP_transferase) 		5 ASP A 218
ASP A 107
GLY A  14
ASP A 192
ASP A 105
 MG  A1996 ( 2.8A)
MG  A1996 ( 2.4A)
CDC  A1991 (-3.4A)
CDC  A1991 (-3.3A)
CDC  A1991 ( 4.0A)
 1.29A 1m4gA-1jylA:
0.0		 1m4gA-1jylA:
21.21
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
GLY A  83
SER A 117
SER A 119
ASP A 152
ASP A 179
 KAN  A 500 (-3.4A)
KAN  A 500 (-3.4A)
KAN  A 500 (-3.8A)
KAN  A 500 (-3.7A)
KAN  A 500 (-3.4A)
COA  A 600 ( 4.0A)
KAN  A 500 (-3.4A)
KAN  A 500 ( 4.3A)
 0.69A 1m4gA-1m4iA:
34.5		 1m4gA-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.
2o6i HD DOMAIN PROTEIN

(Enterococcus
faecalis) 		PF01966
(HD) 		5 ASP A 191
SER A  67
SER A  65
ASP A 111
ASP A 183
 None
None
None
ZN  A 501 (-2.6A)
ZN  A 501 (-2.4A)
 1.47A 1m4gA-2o6iA:
0.0		 1m4gA-2o6iA:
16.95
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.
3eiz INORGANIC
PYROPHOSPHATASE

(Burkholderia
pseudomallei) 		PF00719
(Pyrophosphatase) 		5 ASP A 103
ASP A  71
GLU A  21
ARG A  44
ASP A  68
 None
 1.33A 1m4gA-3eizA:
0.0		 1m4gA-3eizA:
20.44
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.
4fys AMINOPEPTIDASE N

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 GLU A 618
GLY A 616
SER A 613
SER A 557
ASP A 610
 None
 1.36A 1m4gA-4fysA:
0.0		 1m4gA-4fysA:
12.05
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.
4gu7 PUTATIVE
UNCHARACTERIZED
PROTEIN SCO7193

(Streptomyces
coelicolor) 		PF04261
(Dyp_perox) 		5 ASP A 217
GLU A 214
SER A 230
ARG A 276
ASP A 238
 None
HEM  A 401 ( 4.8A)
HEM  A 401 (-3.6A)
None
None
 1.45A 1m4gA-4gu7A:
0.0		 1m4gA-4gu7A:
23.60
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.
4h5b DR_1245 PROTEIN

(Deinococcus
radiodurans) 		PF10722
(YbjN) 		5 ASP A  52
GLU A  26
GLY A  29
SER A  49
ASP A   9
 None
 1.31A 1m4gA-4h5bA:
undetectable		 1m4gA-4h5bA:
25.00
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.
4jxy TRANS-HEXAPRENYLTRAN
STRANSFERASE

(Pseudoalteromonas
atlantica) 		PF00348
(polyprenyl_synt) 		5 ASP A 212
ASP A 230
GLU A 233
GLY A 234
ASP A  84
 None
 1.47A 1m4gA-4jxyA:
undetectable		 1m4gA-4jxyA:
20.11
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.
5swn FLUOROACETATE
DEHALOGENASE

(Rhodopseudomonas
palustris) 		PF00561
(Abhydrolase_1) 		5 ASP A 218
GLY A  39
SER A 116
ASP A 230
ASP A 226
 None
 1.34A 1m4gA-5swnA:
1.0		 1m4gA-5swnA:
19.73
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) 		5 ASP A  32
ASP A  37
GLU A  79
SER A 114
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 (-4.4A)
 0.49A 1m4gA-5us1A:
28.0		 1m4gA-5us1A:
33.52
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) 		5 ASP A  37
GLU A  79
SER A 114
SER A 116
ASP A 176
 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)
 0.73A 1m4gA-5us1A:
28.0		 1m4gA-5us1A:
33.52
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.
5xjy ATP-BINDING CASSETTE
SUB-FAMILY A MEMBER
1

(Homo sapiens) 		PF00005
(ABC_tran)
PF12698
(ABC2_membrane_3) 		5 ASP A 571
GLU A1529
GLY A1598
ASP A 629
ASP A 575
 None
 1.47A 1m4gA-5xjyA:
undetectable		 1m4gA-5xjyA:
6.18