SIMILAR PATTERNS OF AMINO ACIDS FOR 1M4G_B_RIOB501

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.
1b4e PROTEIN
(5-AMINOLEVULINIC
ACID DEHYDRATASE)

(Escherichia
coli) 		PF00490
(ALAD) 		5 GLU A 237
GLY A 240
SER A 233
SER A 191
THR A 194
 None
 1.38A 1m4gB-1b4eA:
0.3		 1m4gB-1b4eA:
19.24
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)
 1.31A 1m4gB-1jylA:
0.0		 1m4gB-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) 		9 ASP A  35
ASP A  40
GLU A  82
GLY A  83
SER A 117
SER A 119
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 (-3.7A)
KAN  A 500 (-3.4A)
COA  A 600 ( 4.0A)
KAN  A 500 (-3.4A)
KAN  A 500 ( 4.7A)
KAN  A 500 ( 4.3A)
 0.70A 1m4gB-1m4iA:
32.7		 1m4gB-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) 		5 ASP A  35
SER A 117
SER A 119
ASP A 152
THR A 155
 KAN  A 500 (-3.4A)
KAN  A 500 (-3.4A)
COA  A 600 ( 4.0A)
KAN  A 500 (-3.4A)
KAN  A 500 ( 4.7A)
 1.01A 1m4gB-1m4iA:
32.7		 1m4gB-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.
1wpn MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Bacillus
subtilis) 		PF01368
(DHH) 		5 GLY A  44
SER A 148
SER A 144
ASP A 149
ASP A  13
 None
None
None
MN  A 602 (-2.6A)
MN  A 601 (-2.1A)
 1.28A 1m4gB-1wpnA:
0.0		 1m4gB-1wpnA:
16.75
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		5 GLU A  94
GLY A  95
SER A 302
ASP A 304
THR A 305
 None
 1.12A 1m4gB-2amxA:
0.0		 1m4gB-2amxA:
19.09
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.
2mqb PROBABLE
BETA-LACTAMASE

(Staphylococcus
aureus) 		PF16229
(DUF4888) 		5 ASP A  80
GLY A  26
SER A  21
ASP A  89
THR A  93
 None
 1.46A 1m4gB-2mqbA:
0.0		 1m4gB-2mqbA:
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.
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)
 1.44A 1m4gB-2o6iA:
0.0		 1m4gB-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.
2va1 URIDYLATE KINASE

(Ureaplasma
parvum) 		PF00696
(AA_kinase) 		5 ASP A  70
GLY A 132
SER A 140
ASP A 195
THR A 197
 None
 1.38A 1m4gB-2va1A:
0.0		 1m4gB-2va1A:
21.84
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.
2vw8 PA1000

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 ASP A  73
GLU A  38
GLY A  40
ASP A 162
THR A  96
 FE2  A 401 ( 2.8A)
None
None
None
None
 1.47A 1m4gB-2vw8A:
2.2		 1m4gB-2vw8A:
21.50
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.
2xla SLL1785 PROTEIN

(Synechocystis
sp. PCC 6803) 		no annotation 5 ASP A 202
GLY A 208
SER A  95
SER A  93
THR A 295
 None
 1.22A 1m4gB-2xlaA:
undetectable		 1m4gB-2xlaA:
22.08
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.
3cdx SUCCINYLGLUTAMATEDES
UCCINYLASE/ASPARTOAC
YLASE

(Rhodobacter
sphaeroides) 		PF04952
(AstE_AspA) 		5 ASP A 112
GLY A 119
SER A 196
ASP A 146
THR A 199
 None
 1.35A 1m4gB-3cdxA:
undetectable		 1m4gB-3cdxA:
20.81
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.
3zxl HIAXHD3

(Humicola
insolens) 		PF04616
(Glyco_hydro_43) 		5 ASP A  43
GLU A 358
GLY A  65
SER A  56
ASP A  40
 B3P  A1560 (-2.7A)
None
None
None
None
 1.27A 1m4gB-3zxlA:
undetectable		 1m4gB-3zxlA:
16.07
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.
4a5q CHI1

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		5 ASP A  81
GLU A  30
GLY A  27
ASP A 421
THR A 420
 None
 1.45A 1m4gB-4a5qA:
undetectable		 1m4gB-4a5qA:
15.07
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
 1.28A 1m4gB-4h5bA:
undetectable		 1m4gB-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.
4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE

(Caenorhabditis
elegans) 		PF00481
(PP2C) 		5 GLU A 219
GLY A 215
SER A  94
THR A  99
ASP A 189
 None
 1.42A 1m4gB-4jndA:
undetectable		 1m4gB-4jndA:
20.09
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.
4twe N-ACETYLATED-ALPHA-L
INKED ACIDIC
DIPEPTIDASE-LIKE
PROTEIN

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 ASP A 512
GLY A 254
SER A 346
ASP A  76
ASP A 370
 None
 1.38A 1m4gB-4tweA:
undetectable		 1m4gB-4tweA:
14.53
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.
4uf4 CARBOXYPEPTIDASE A1

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 ASP A  44
GLU A  46
SER A 272
SER A 268
THR A 274
 None
 1.00A 1m4gB-4uf4A:
undetectable		 1m4gB-4uf4A:
19.56
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.
5fkr ENDO-1,4-BETA-GLUCAN
ASE/XYLOGLUCANASE,
PUTATIVE, GLY74A

(Cellvibrio
japonicus) 		no annotation 5 GLU A 416
GLY A 159
SER A 292
ASP A 293
ASP A 299
 None
 1.48A 1m4gB-5fkrA:
undetectable		 1m4gB-5fkrA:
12.21
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.
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
 1.35A 1m4gB-5swnA:
undetectable		 1m4gB-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) 		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)
 0.79A 1m4gB-5us1A:
28.2		 1m4gB-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
 1.44A 1m4gB-5xjyA:
undetectable		 1m4gB-5xjyA:
6.18