SIMILAR PATTERNS OF AMINO ACIDS FOR 3G59_A_ACTA306_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.
1la2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE

(Saccharomyces
cerevisiae) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		4 SER A 184
PHE A 281
ILE A 149
TRP A 243
 NAD  A 900 (-2.9A)
None
NAD  A 900 (-3.9A)
None
 1.27A 3g59A-1la2A:
1.4		 3g59A-1la2A:
19.78
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.
1vko INOSITOL-3-PHOSPHATE
SYNTHASE

(Caenorhabditis
elegans) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		4 SER A 184
PHE A 273
ILE A 149
TRP A 235
 NAD  A 601 (-2.9A)
None
NAD  A 601 (-4.1A)
None
 1.26A 3g59A-1vkoA:
0.1		 3g59A-1vkoA:
19.85
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.
2gf2 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Homo sapiens) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 SER A 132
MET A 192
PHE A 173
ILE A 130
 None
 1.03A 3g59A-2gf2A:
1.7		 3g59A-2gf2A:
19.51
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.
2i02 GENERAL STRESS
PROTEIN OF COG3871

(Nostoc
punctiforme) 		PF16242
(Pyrid_ox_like) 		4 SER A  91
MET A  40
PHE A  26
ILE A  66
 None
FMN  A 200 (-4.8A)
None
None
 1.32A 3g59A-2i02A:
0.0		 3g59A-2i02A:
20.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wsi FAD SYNTHETASE

(Saccharomyces
cerevisiae) 		PF01507
(PAPS_reduct) 		4 SER A  59
PHE A 148
ILE A 163
TRP A 185
 FAD  A2762 (-3.1A)
FAD  A2762 (-3.0A)
FAD  A2762 (-3.8A)
FAD  A2762 (-3.3A)
 0.75A 3g59A-2wsiA:
38.7		 3g59A-2wsiA:
63.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g5a FMN
ADENYLYLTRANSFERASE

([Candida]
glabrata) 		PF01507
(PAPS_reduct) 		4 SER A  60
PHE A 147
ILE A 162
TRP A 184
 APC  A 305 ( 2.5A)
FMN  A 306 (-3.8A)
FMN  A 306 ( 4.3A)
FMN  A 306 (-3.5A)
 0.46A 3g59A-3g5aA:
46.3		 3g59A-3g5aA:
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.
3lah METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Caldanaerobacter
subterraneus) 		PF07700
(HNOB) 		4 SER A 148
MET A  98
PHE A  94
ILE A  75
 HEM  A 200 ( 4.1A)
HEM  A 200 ( 3.5A)
HEM  A 200 (-4.7A)
None
 1.45A 3g59A-3lahA:
0.0		 3g59A-3lahA:
19.75
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.
3oyr TRANS-ISOPRENYL
DIPHOSPHATE SYNTHASE

(Caulobacter
vibrioides) 		PF00348
(polyprenyl_synt) 		4 SER A 150
MET A 134
PHE A 131
ILE A  87
 None
 1.24A 3g59A-3oyrA:
0.0		 3g59A-3oyrA:
22.85
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.
3wmt PROBABLE FERULOYL
ESTERASE B-1

(Aspergillus
oryzae) 		PF07519
(Tannase) 		4 SER A 347
MET A 336
ILE A 419
TRP A 238
 None
 1.42A 3g59A-3wmtA:
0.2		 3g59A-3wmtA:
22.09
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.
4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89

(synthetic
construct) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		4 SER A  52
MET A 214
PHE A 184
ILE A 107
 None
 0.99A 3g59A-4drtA:
undetectable		 3g59A-4drtA:
20.00
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.
4gba DCN1-LIKE PROTEIN 3

(Homo sapiens) 		PF03556
(Cullin_binding) 		4 SER A 233
PHE A 227
ILE A 235
TRP A 224
 None
 0.86A 3g59A-4gbaA:
undetectable		 3g59A-4gbaA:
21.34
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.
4tns PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
NIMA-INTERACTING 1

(Homo sapiens) 		PF00639
(Rotamase) 		4 SER A 138
MET A 130
PHE A 125
ILE A 159
 None
REA  A 201 (-2.9A)
None
None
 1.49A 3g59A-4tnsA:
undetectable		 3g59A-4tnsA:
20.82
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.
4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 SER A 502
MET A 471
PHE A 470
ILE A 514
 None
 1.19A 3g59A-4wjlA:
undetectable		 3g59A-4wjlA:
18.72
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.
5y8p PROBABLE
3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		no annotation 4 SER A  91
MET A 151
PHE A 132
ILE A  89
 None
 1.02A 3g59A-5y8pA:
undetectable		 3g59A-5y8pA:
undetectable