SIMILAR PATTERNS OF AMINO ACIDS FOR 4MFL_B_GCSB502_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.
1ftg APOFLAVODOXIN

(Nostoc sp. PCC
7119) 		PF00258
(Flavodoxin_1) 		4 GLN A 162
TRP A 159
ALA A  84
PHE A  26
 None
 1.34A 4mflA-1ftgA:
0.0		 4mflA-1ftgA:
18.23
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.
1w6j LANOSTEROL SYNTHASE

(Homo sapiens) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		4 MET A 657
TRP A 590
TRP A 654
ALA A 693
 None
 1.42A 4mflA-1w6jA:
0.5		 4mflA-1w6jA:
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.
1wmr ISOPULLULANASE

(Aspergillus
niger) 		PF03718
(Glyco_hydro_49)
PF17433
(Glyco_hydro_49N) 		4 GLN A 172
TRP A 390
ALA A 176
PHE A 348
 None
 1.39A 4mflA-1wmrA:
0.0		 4mflA-1wmrA:
19.10
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.
1x55 ASPARAGINYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 TRP A 148
TRP A 154
ALA A 231
PHE A 402
 None
 1.18A 4mflA-1x55A:
0.0		 4mflA-1x55A:
22.52
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.
3usz EXO-1,3/1,4-BETA-GLU
CANASE

(Pseudoalteromonas
sp. BB1) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		4 GLN A  40
MET A  32
ALA A  92
PHE A 363
 None
 1.47A 4mflA-3uszA:
0.0		 4mflA-3uszA:
18.05
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.
3wdo MFS TRANSPORTER

(Escherichia
coli) 		PF07690
(MFS_1) 		4 GLN A  61
MET A  28
ALA A 117
PHE A 144
 None
 1.36A 4mflA-3wdoA:
0.0		 4mflA-3wdoA:
22.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4q38 PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24

(Actinoplanes
teichomyceticus) 		no annotation 5 GLN A 142
MET A 161
TRP A 163
TRP A 164
PHE A 281
 TEC  A 404 ( 4.0A)
TEC  A 404 (-4.3A)
TEC  A 404 (-4.6A)
TEC  A 404 (-3.7A)
COA  A 403 (-3.4A)
 0.66A 4mflA-4q38A:
51.3		 4mflA-4q38A:
97.68
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.
4xwh ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Homo sapiens) 		PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		4 MET A 157
TRP A 156
ALA A 444
PHE A 142
 None
 1.26A 4mflA-4xwhA:
0.0		 4mflA-4xwhA:
19.28
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.
4znj PHAGE TERMINASE
LARGE SUBUNIT

(Thermus virus
P74-26) 		PF03237
(Terminase_6) 		4 TRP A 185
TRP A 159
ALA A 174
PHE A 214
 None
 1.44A 4mflA-4znjA:
0.0		 4mflA-4znjA:
24.23
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.
5gn5 GLYCEROL KINASE

(Trypanosoma
brucei) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 GLN A  23
TRP A 465
ALA A 455
PHE A 260
 None
 1.49A 4mflA-5gn5A:
undetectable		 4mflA-5gn5A:
23.09
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.
5jgj UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE

(Aspergillus
fumigatus) 		PF01209
(Ubie_methyltran) 		4 GLN A 130
TRP A 162
TRP A 157
ALA A 279
 None
 1.02A 4mflA-5jgjA:
undetectable		 4mflA-5jgjA:
22.31
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.
5mkf POLYCYSTIN-2

(Homo sapiens) 		PF08016
(PKD_channel) 		4 GLN A 323
TRP A 280
TRP A 414
ALA A 365
 None
 1.38A 4mflA-5mkfA:
undetectable		 4mflA-5mkfA:
15.83
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.
6cfw MBH13 NADH
DEHYDROGENASE
SUBUNIT

(Pyrococcus
furiosus) 		no annotation 4 MET M 144
TRP M 195
ALA M 247
PHE M 103
 None
 1.13A 4mflA-6cfwM:
undetectable		 4mflA-6cfwM:
13.41