SIMILAR PATTERNS OF AMINO ACIDS FOR 2B0Q_A_NMYA305_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.
1hww ALPHA-MANNOSIDASE II

(Drosophila
melanogaster) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		5 ASP A 527
ASP A 538
SER A 539
ASP A 570
GLU A 753
 None
 1.33A 2b0qA-1hwwA:
0.0		 2b0qA-1hwwA:
13.90
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.
1iwp GLYCEROL DEHYDRATASE
ALPHA SUBUNIT

(Klebsiella
pneumoniae) 		PF02286
(Dehydratase_LU) 		5 GLU A 100
ASP A 521
SER A 517
ARG A  99
ASP A 328
 None
 1.32A 2b0qA-1iwpA:
0.0		 2b0qA-1iwpA:
17.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1l8t AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Enterococcus
faecalis) 		PF01636
(APH) 		6 GLU A  24
MET A  26
ASP A 190
SER A 194
ASP A 261
GLU A 160
 ADP  A 300 (-3.9A)
KAN  A   1 ( 4.0A)
KAN  A   1 (-3.2A)
ADP  A 300 (-3.1A)
KAN  A   1 (-3.8A)
KAN  A   1 (-3.2A)
 1.46A 2b0qA-1l8tA:
42.8		 2b0qA-1l8tA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1l8t AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Enterococcus
faecalis) 		PF01636
(APH) 		5 GLU A  24
MET A  26
ASP A 208
ASP A 193
SER A 194
 ADP  A 300 (-3.9A)
KAN  A   1 ( 4.0A)
MG  A 302 (-2.1A)
None
ADP  A 300 (-3.1A)
 1.22A 2b0qA-1l8tA:
42.8		 2b0qA-1l8tA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1l8t AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Enterococcus
faecalis) 		PF01636
(APH) 		11 GLU A  24
MET A  26
GLU A 157
GLU A 160
ASP A 190
ASP A 193
SER A 194
ARG A 226
ASP A 231
ASP A 261
GLU A 262
 ADP  A 300 (-3.9A)
KAN  A   1 ( 4.0A)
KAN  A   1 (-3.0A)
KAN  A   1 (-3.2A)
KAN  A   1 (-3.2A)
None
ADP  A 300 (-3.1A)
KAN  A   1 (-4.0A)
KAN  A   1 ( 4.9A)
KAN  A   1 (-3.8A)
KAN  A   1 (-3.1A)
 0.54A 2b0qA-1l8tA:
42.8		 2b0qA-1l8tA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1l8t AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Enterococcus
faecalis) 		PF01636
(APH) 		8 GLU A  24
MET A  26
GLU A 157
GLU A 160
ASP A 190
GLU A 230
ASP A 231
GLU A 262
 ADP  A 300 (-3.9A)
KAN  A   1 ( 4.0A)
KAN  A   1 (-3.0A)
KAN  A   1 (-3.2A)
KAN  A   1 (-3.2A)
KAN  A   1 (-2.8A)
KAN  A   1 ( 4.9A)
KAN  A   1 (-3.1A)
 1.00A 2b0qA-1l8tA:
42.8		 2b0qA-1l8tA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1l8t AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Enterococcus
faecalis) 		PF01636
(APH) 		5 GLU A 157
ARG A 226
ASP A 193
ASP A 261
GLU A 262
 KAN  A   1 (-3.0A)
KAN  A   1 (-4.0A)
None
KAN  A   1 (-3.8A)
KAN  A   1 (-3.1A)
 1.35A 2b0qA-1l8tA:
42.8		 2b0qA-1l8tA:
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.
1xkh FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLU A 142
ASP A 178
ARG A 292
GLU A 282
ASP A 239
 None
 1.42A 2b0qA-1xkhA:
0.0		 2b0qA-1xkhA:
16.31
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.
2o56 PUTATIVE MANDELATE
RACEMASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLU A  41
GLU A 245
SER A 328
GLU A 346
GLU A 246
 None
MG  A2001 (-3.1A)
None
None
None
 1.33A 2b0qA-2o56A:
0.0		 2b0qA-2o56A:
21.08
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.
4as3 PHOSPHORYLCHOLINE
PHOSPHATASE

(Pseudomonas
aeruginosa) 		no annotation 5 GLU A  42
GLU A  43
ASP A  31
ASP A 265
ASP A  33
 BTB  A1330 ( 4.6A)
BTB  A1332 ( 3.4A)
MG  A1328 ( 2.6A)
BTB  A1331 (-4.0A)
BTB  A1330 (-4.5A)
 1.34A 2b0qA-4as3A:
1.1		 2b0qA-4as3A:
21.05
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.
4ctd OUTER MEMBRANE
PROTEIN G

(Escherichia
coli) 		PF09381
(Porin_OmpG) 		5 GLU A  52
GLU A 174
GLU A 192
ARG A 211
GLU A 245
 None
None
None
CL  A1272 (-3.0A)
None
 1.24A 2b0qA-4ctdA:
0.0		 2b0qA-4ctdA:
18.97
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.
4q25 PHOSPHATE-SPECIFIC
TRANSPORT SYSTEM
ACCESSORY PROTEIN
PHOU HOMOLOG

(Pseudomonas
aeruginosa) 		PF01895
(PhoU) 		5 GLU A 213
ASP A  99
ASP A 163
ARG A 203
ASP A 167
 None
 1.23A 2b0qA-4q25A:
0.2		 2b0qA-4q25A:
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.
5b4x LOW DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 8,
APOLIPOPROTEIN E
RECEPTOR, ISOFORM
CRA_E
REELIN

(Homo sapiens;
Mus musculus) 		PF00057
(Ldl_recept_a)
PF00058
(Ldl_recept_b)
PF07645
(EGF_CA)
PF07974
(EGF_2)
PF14670
(FXa_inhibition) 		5 GLU B 519
GLU B 537
ASP A2474
SER A2350
ASP A2327
 None
None
CA  A4003 (-2.0A)
None
None
 1.48A 2b0qA-5b4xB:
0.0		 2b0qA-5b4xB:
19.38
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.
5c1b TRANSITIONAL
ENDOPLASMIC
RETICULUM ATPASE

(Homo sapiens) 		PF00004
(AAA)
PF02359
(CDC48_N)
PF02933
(CDC48_2)
PF09336
(Vps4_C) 		5 GLU A  80
GLU A 221
GLU A 218
ASP A  29
SER A  78
 None
 1.35A 2b0qA-5c1bA:
undetectable		 2b0qA-5c1bA:
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.
5eso 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Mycobacterium
tuberculosis) 		PF02776
(TPP_enzyme_N) 		5 GLU A 456
GLU A 419
GLU A 423
ASP A  22
ASP A  42
 None
 1.16A 2b0qA-5esoA:
undetectable		 2b0qA-5esoA:
16.23