SIMILAR PATTERNS OF AMINO ACIDS FOR 1MF1_A_ACTA458_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cg4 PROTEIN
(ADENYLOSUCCINATE
SYNTHETASE)

(Escherichia
coli) 		PF00709
(Adenylsucc_synt) 		4 GLY A  15
LYS A  16
GLY A  17
HIS A  41
 GDP  A 432 (-3.3A)
IMO  A 440 ( 2.9A)
GDP  A 432 (-3.6A)
GDP  A 432 (-3.6A)
 0.32A 1mf1A-1cg4A:
57.4		 1mf1A-1cg4A:
42.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dj2 ADENYLOSUCCINATE
SYNTHETASE

(Arabidopsis
thaliana) 		PF00709
(Adenylsucc_synt) 		4 GLY A  33
LYS A  34
GLY A  35
HIS A  59
 GDP  A 500 (-2.7A)
GDP  A 500 (-2.5A)
GDP  A 500 (-4.0A)
GDP  A 500 (-3.2A)
 0.45A 1mf1A-1dj2A:
58.3		 1mf1A-1dj2A:
48.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dj3 ADENYLOSUCCINATE
SYNTHETASE

(Triticum
aestivum) 		PF00709
(Adenylsucc_synt) 		4 GLY A  32
LYS A  33
GLY A  34
HIS A  58
 GDP  A 500 (-3.3A)
GDP  A 500 (-2.7A)
GDP  A 500 (-3.6A)
GDP  A 500 (-3.2A)
 0.42A 1mf1A-1dj3A:
56.1		 1mf1A-1dj3A:
48.40
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.
1j1w ISOCITRATE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF03971
(IDH) 		4 GLY A 368
LYS A 369
GLY A 365
HIS A 371
 None
 1.10A 1mf1A-1j1wA:
1.5		 1mf1A-1j1wA:
20.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mf1 ADENYLOSUCCINATE
SYNTHETASE

(Mus musculus) 		PF00709
(Adenylsucc_synt) 		4 GLY A  45
LYS A  46
GLY A  47
HIS A  71
 ACT  A 458 (-3.5A)
ACT  A 458 (-3.0A)
ACT  A 458 (-3.6A)
ACT  A 458 (-4.0A)
 0.03A 1mf1A-1mf1A:
72.2		 1mf1A-1mf1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1p9b ADENYLOSUCCINATE
SYNTHETASE

(Plasmodium
falciparum) 		PF00709
(Adenylsucc_synt) 		4 GLY A  28
LYS A  29
GLY A  30
HIS A  54
 GDP  A1603 (-3.4A)
IMO  A1601 ( 2.8A)
GDP  A1603 (-3.7A)
IMO  A1601 ( 3.7A)
 0.23A 1mf1A-1p9bA:
58.0		 1mf1A-1p9bA:
42.27
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.
1rgi GELSOLIN

(Equus caballus) 		PF00626
(Gelsolin) 		4 GLY G 313
LYS G 314
GLY G 310
HIS G 309
 None
 1.11A 1mf1A-1rgiG:
0.0		 1mf1A-1rgiG:
20.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2d7u ADENYLOSUCCINATE
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00709
(Adenylsucc_synt) 		4 GLY A  15
LYS A  16
GLY A  17
HIS A  43
 None
 0.23A 1mf1A-2d7uA:
42.7		 1mf1A-2d7uA:
31.59
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.
2vy0 ENDO-BETA-1,3-GLUCAN
ASE

(Pyrococcus
furiosus) 		PF00722
(Glyco_hydro_16) 		4 GLY A 148
LYS A 147
GLY A 178
HIS A 179
 None
 1.07A 1mf1A-2vy0A:
undetectable		 1mf1A-2vy0A:
21.63
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.
2yun NOSTRIN

(Homo sapiens) 		PF14604
(SH3_9) 		4 GLY A  52
LYS A  51
GLY A  45
HIS A  35
 None
 1.03A 1mf1A-2yunA:
undetectable		 1mf1A-2yunA:
11.92
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.
3cv3 GLUCURONOSYLTRANSFER
ASE GUMK

(Xanthomonas
campestris) 		no annotation 4 GLY A 214
LYS A 283
GLY A 280
HIS A 284
 None
 1.40A 1mf1A-3cv3A:
undetectable		 1mf1A-3cv3A:
23.63
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.
3iib PEPTIDASE M28

(Shewanella
amazonensis) 		PF04389
(Peptidase_M28) 		4 GLY A 167
LYS A 168
GLY A 169
HIS A 164
 None
 0.98A 1mf1A-3iibA:
undetectable		 1mf1A-3iibA:
21.91
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.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1

(Mus musculus) 		PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40) 		4 GLY A1179
LYS A1177
GLY A1198
HIS A1177
 None
 1.27A 1mf1A-3sfzA:
undetectable		 1mf1A-3sfzA:
15.94
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.
4dfs GLYCOSIDE HYDROLASE,
FAMILY 16

(Thermotoga
petrophila) 		PF00722
(Glyco_hydro_16) 		4 GLY A 110
LYS A 109
GLY A 140
HIS A 141
 None
 1.10A 1mf1A-4dfsA:
undetectable		 1mf1A-4dfsA:
20.89
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.
4n0q LEU/ILE/VAL-BINDING
PROTEIN HOMOLOG 3

(Brucella
melitensis) 		PF13458
(Peripla_BP_6) 		4 GLY A 175
LYS A 174
GLY A 173
HIS A 167
 None
 0.95A 1mf1A-4n0qA:
1.8		 1mf1A-4n0qA:
21.49
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.
4nz6 TRNA PSEUDOURIDINE
SYNTHASE A,
MITOCHONDRIAL

(Homo sapiens) 		PF01416
(PseudoU_synth_1) 		4 GLY A 148
LYS A 147
GLY A  99
HIS A  98
 None
 0.93A 1mf1A-4nz6A:
undetectable		 1mf1A-4nz6A:
21.91
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.
5k9t PROTEIN TRANSLOCASE
SUBUNIT SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07517
(SecA_DEAD) 		4 GLY A 123
LYS A 124
GLY A 125
HIS A 204
 None
 1.08A 1mf1A-5k9tA:
undetectable		 1mf1A-5k9tA:
22.37
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.
5lnx ACYL-COA
DEHYDROGENASE

(Bacillus
subtilis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 GLY A  44
LYS A  45
GLY A  47
HIS A  46
 None
GOL  A 402 ( 3.7A)
None
GOL  A 402 (-4.4A)
 1.27A 1mf1A-5lnxA:
undetectable		 1mf1A-5lnxA:
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.
5w1k CR1-10 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 4 GLY D  44
LYS D  45
GLY D  46
HIS D  42
 None
 1.31A 1mf1A-5w1kD:
undetectable		 1mf1A-5w1kD:
undetectable