SIMILAR PATTERNS OF AMINO ACIDS FOR 2ABA_A_STRA1500_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		6 THR A  37
TYR A  78
HIS A 187
HIS A 190
TYR A 192
TYR A 358
 2PE  A 503 ( 3.4A)
2PE  A 503 (-3.4A)
FMN  A 501 (-3.7A)
2PE  A 503 (-4.2A)
2PE  A 503 (-4.9A)
FMN  A 501 ( 3.9A)
 0.46A 2abaA-1icpA:
52.6		 2abaA-1icpA:
41.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3o 12-OXOPHYTODIENOATE
REDUCTASE 3

(Arabidopsis
thaliana) 		PF00724
(Oxidored_FMN) 		5 THR A  33
HIS A 186
HIS A 189
TYR A 191
TYR A 371
 FMN  A7401 (-3.8A)
FMN  A7401 (-3.3A)
FMN  A7401 (-4.4A)
None
FMN  A7401 (-4.0A)
 0.52A 2abaA-2q3oA:
52.1		 2abaA-2q3oA:
38.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3r 12-OXOPHYTODIENOATE
REDUCTASE 1

(Arabidopsis
thaliana) 		PF00724
(Oxidored_FMN) 		5 THR A  33
TYR A  74
HIS A 183
TYR A 188
TYR A 354
 FMN  A 373 (-3.8A)
None
FMN  A 373 (-3.8A)
None
FMN  A 373 (-3.8A)
 0.61A 2abaA-2q3rA:
50.6		 2abaA-2q3rA:
43.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gka N-ETHYLMALEIMIDE
REDUCTASE

(Burkholderia
pseudomallei) 		PF00724
(Oxidored_FMN) 		5 THR A  33
TYR A  74
HIS A 181
TYR A 186
TYR A 344
 FMN  A 362 (-3.8A)
None
FMN  A 362 (-3.7A)
None
FMN  A 362 (-4.2A)
 0.35A 2abaA-3gkaA:
53.4		 2abaA-3gkaA:
46.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3hgo 12-OXOPHYTODIENOATE
REDUCTASE 3

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		5 THR A  33
HIS A 185
HIS A 188
TYR A 190
TYR A 370
 FMN  A 401 (-3.8A)
FMN  A 401 (-3.4A)
FMN  A 401 (-4.3A)
None
FMN  A 401 (-4.1A)
 0.33A 2abaA-3hgoA:
53.3		 2abaA-3hgoA:
39.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3hgo 12-OXOPHYTODIENOATE
REDUCTASE 3

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		5 THR A  33
TYR A  74
HIS A 185
HIS A 188
TYR A 190
 FMN  A 401 (-3.8A)
None
FMN  A 401 (-3.4A)
FMN  A 401 (-4.3A)
None
 0.72A 2abaA-3hgoA:
53.3		 2abaA-3hgoA:
39.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4a3u NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Zymomonas
mobilis) 		PF00724
(Oxidored_FMN) 		5 THR A  25
HIS A 172
TYR A 177
GLN A 232
TYR A 343
 NCA  A1359 ( 3.2A)
FMN  A1357 ( 3.6A)
NCA  A1359 (-4.5A)
None
FMN  A1357 ( 4.2A)
 0.57A 2abaA-4a3uA:
54.8		 2abaA-4a3uA:
41.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ab4 XENOBIOTIC REDUCTASE
B

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		5 THR A  25
TYR A  66
HIS A 173
TYR A 178
TYR A 336
 FMN  A1351 (-3.8A)
None
FMN  A1351 ( 3.6A)
TNL  A1357 (-4.7A)
FMN  A1351 (-3.0A)
 0.38A 2abaA-4ab4A:
53.8		 2abaA-4ab4A:
48.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jip GTN REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		5 THR A  25
TYR A  65
HIS A 178
TYR A 183
TYR A 356
 FMN  A 401 ( 3.6A)
None
FMN  A 401 ( 3.6A)
HBA  A 402 (-4.3A)
FMN  A 401 ( 4.2A)
 0.22A 2abaA-4jipA:
57.0		 2abaA-4jipA:
49.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m5p NADPH DEHYDROGENASE

(Scheffersomyces
stipitis) 		PF00724
(Oxidored_FMN) 		6 THR A  35
HIS A 188
HIS A 191
TYR A 193
GLN A 248
TYR A 374
 FMN  A 501 ( 3.8A)
FMN  A 501 (-3.7A)
MLA  A 507 (-3.7A)
23W  A 508 ( 4.0A)
None
FMN  A 501 (-4.0A)
 0.86A 2abaA-4m5pA:
47.2		 2abaA-4m5pA:
37.05
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.
4rnw NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		5 THR A 136
TYR A 181
HIS A 290
TYR A 295
TYR A  75
 FMN  A 401 (-3.7A)
EPE  A 402 ( 3.8A)
FMN  A 401 ( 3.5A)
EPE  A 402 (-4.4A)
EPE  A 402 ( 3.7A)
 0.75A 2abaA-4rnwA:
31.8		 2abaA-4rnwA:
28.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tmc OLD YELLOW ENZYME

(Kluyveromyces
marxianus) 		PF00724
(Oxidored_FMN) 		5 THR A  37
TYR A  82
HIS A 191
GLN A 121
TYR A 375
 FMN  A 501 ( 3.7A)
None
FMN  A 501 ( 3.7A)
None
FMN  A 501 ( 4.0A)
 1.35A 2abaA-4tmcA:
48.9		 2abaA-4tmcA:
39.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tmc OLD YELLOW ENZYME

(Kluyveromyces
marxianus) 		PF00724
(Oxidored_FMN) 		5 THR A  37
TYR A  82
HIS A 191
TYR A 196
TYR A 375
 FMN  A 501 ( 3.7A)
None
FMN  A 501 ( 3.7A)
HBA  A 502 (-4.5A)
FMN  A 501 ( 4.0A)
 0.84A 2abaA-4tmcA:
48.9		 2abaA-4tmcA:
39.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxx ARTEMISINIC ALDEHYDE
DELTA(11(13))
REDUCTASE

(Artemisia annua) 		PF00724
(Oxidored_FMN) 		5 THR A  28
HIS A 180
HIS A 183
TYR A 185
TYR A 367
 FMN  A7401 (-3.9A)
FMN  A7401 (-3.4A)
FMN  A7401 (-4.5A)
None
FMN  A7401 (-4.0A)
 0.35A 2abaA-5dxxA:
53.0		 2abaA-5dxxA:
42.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5lgx PENTAERYTHRITOL
TETRANITRATE
REDUCTASE

(Enterobacter
cloacae) 		PF00724
(Oxidored_FMN) 		7 THR A  26
TYR A  68
SER A 132
HIS A 181
HIS A 184
TYR A 186
TYR A 351
 IPA  A 405 ( 3.4A)
IPA  A 405 (-4.5A)
None
FMN  A 401 (-3.8A)
IPA  A 402 ( 3.5A)
None
FMN  A 401 ( 4.0A)
 0.59A 2abaA-5lgxA:
67.8		 2abaA-5lgxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5lgx PENTAERYTHRITOL
TETRANITRATE
REDUCTASE

(Enterobacter
cloacae) 		PF00724
(Oxidored_FMN) 		5 TYR A  68
ARG A 130
HIS A 181
HIS A 184
TYR A 186
 IPA  A 405 (-4.5A)
None
FMN  A 401 (-3.8A)
IPA  A 402 ( 3.5A)
None
 1.34A 2abaA-5lgxA:
67.8		 2abaA-5lgxA:
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.
5v4p NADPH DEHYDROGENASE
3

(Saccharomyces
cerevisiae) 		no annotation 5 THR A  37
TYR A  82
HIS A 191
TYR A 196
TYR A 375
 HBA  A 402 ( 3.9A)
None
FMN  A 401 ( 3.5A)
HBA  A 402 (-4.2A)
HBA  A 402 ( 4.4A)
 0.77A 2abaA-5v4pA:
49.2		 2abaA-5v4pA:
10.99