SIMILAR PATTERNS OF AMINO ACIDS FOR 4FR8_A_TNGA601

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.
2bku IMPORTIN BETA-1
SUBUNIT

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 LEU B 135
MET B 136
CYH B 163
SER B 165
ASP B 124
 None
 1.45A 4fr8A-2bkuB:
undetectable		 4fr8A-2bkuB:
21.52
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.
2idv EUKARYOTIC
TRANSLATION
INITIATION FACTOR
4E-1

(Triticum
aestivum) 		PF01652
(IF4E) 		5 PHE A 131
LEU A 188
TRP A 184
CYH A 123
ASP A 192
 None
 1.37A 4fr8A-2idvA:
undetectable		 4fr8A-2idvA:
17.18
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.
3fgt PUTATIVE
PHOSPHOLIPASE B-LIKE
2 28 KDA FORM
PUTATIVE
PHOSPHOLIPASE B-LIKE
2 40 KDA FORM

(Mus musculus) 		PF04916
(Phospholip_B) 		5 PHE A 163
LEU A 235
CYH B 347
SER B 376
ASP A 227
 None
 1.49A 4fr8A-3fgtA:
undetectable		 4fr8A-3fgtA:
15.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iwj PUTATIVE
AMINOALDEHYDE
DEHYDROGENASE

(Pisum sativum) 		PF00171
(Aldedh) 		6 ASN A 162
LEU A 166
MET A 167
TRP A 170
CYH A 294
SER A 295
 GOL  A 507 (-4.4A)
None
GOL  A 507 ( 4.0A)
None
GOL  A 507 (-3.4A)
GOL  A 507 ( 3.7A)
 0.47A 4fr8A-3iwjA:
58.3		 4fr8A-3iwjA:
40.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iwk AMINOALDEHYDE
DEHYDROGENASE

(Pisum sativum) 		PF00171
(Aldedh) 		6 ASN A 162
LEU A 166
MET A 167
TRP A 170
CYH A 294
SER A 295
 NAD  A 505 ( 4.8A)
None
None
None
NAD  A 505 (-3.0A)
None
 0.57A 4fr8A-3iwkA:
59.0		 4fr8A-3iwkA:
42.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4a0m BETAINE ALDEHYDE
DEHYDROGENASE,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00171
(Aldedh) 		5 ASN A 159
LEU A 163
MET A 164
TRP A 167
SER A 292
 NAD  A1498 (-3.5A)
None
NAD  A1498 ( 3.9A)
None
None
 0.52A 4fr8A-4a0mA:
59.0		 4fr8A-4a0mA:
41.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i8p AMINOALDEHYDE
DEHYDROGENASE 1

(Zea mays) 		PF00171
(Aldedh) 		5 ASN A 164
LEU A 168
MET A 169
TRP A 172
SER A 297
 NAD  A 601 (-3.2A)
None
NAD  A 601 ( 3.8A)
None
EDO  A 604 (-3.0A)
 0.41A 4fr8A-4i8pA:
59.2		 4fr8A-4i8pA:
42.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i8q PUTATIVE BETAINE
ALDEHYDE
DEHYROGENASE

(Solanum
lycopersicum) 		PF00171
(Aldedh) 		5 ASN A 162
LEU A 166
MET A 167
TRP A 170
SER A 296
 NAD  A 601 (-3.3A)
None
NAD  A 601 ( 3.9A)
EDO  A 609 (-4.2A)
None
 0.50A 4fr8A-4i8qA:
54.9		 4fr8A-4i8qA:
38.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		8 ASN A 169
PHE A 170
LEU A 173
MET A 174
TRP A 177
CYH A 302
ASP A 457
PHE A 459
 None
2AK  A 601 (-4.1A)
2AK  A 601 (-4.9A)
2AK  A 601 ( 3.9A)
None
2AK  A 601 (-4.6A)
2AK  A 601 (-2.6A)
2AK  A 601 (-4.0A)
 0.24A 4fr8A-4kwgA:
66.3		 4fr8A-4kwgA:
99.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lih GAMMA-GLUTAMYL-GAMMA
-AMINOBUTYRALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		6 ASN A 168
PHE A 169
LEU A 172
MET A 173
TRP A 176
CYH A 301
 MES  A 501 (-3.6A)
MES  A 501 (-3.8A)
None
MES  A 501 ( 4.1A)
None
MES  A 501 (-3.7A)
 0.52A 4fr8A-4lihA:
58.1		 4fr8A-4lihA:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lih GAMMA-GLUTAMYL-GAMMA
-AMINOBUTYRALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		6 ASN A 168
PHE A 169
MET A 173
TRP A 176
CYH A 301
ASP A 456
 MES  A 501 (-3.6A)
MES  A 501 (-3.8A)
MES  A 501 ( 4.1A)
None
MES  A 501 (-3.7A)
MES  A 501 (-2.9A)
 0.92A 4fr8A-4lihA:
58.1		 4fr8A-4lihA:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o5h PHENYLACETALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		6 ASN A 177
PHE A 178
LEU A 181
MET A 182
TRP A 185
CYH A 309
 None
 0.34A 4fr8A-4o5hA:
56.1		 4fr8A-4o5hA:
44.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o5h PHENYLACETALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 ASN A 177
PHE A 178
MET A 182
TRP A 185
PHE A 472
 None
 1.39A 4fr8A-4o5hA:
56.1		 4fr8A-4o5hA:
44.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o5h PHENYLACETALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 PHE A 178
LEU A 181
MET A 182
TRP A 185
SER A 464
 None
 1.20A 4fr8A-4o5hA:
56.1		 4fr8A-4o5hA:
44.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qyj ALDEHYDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF00171
(Aldedh) 		5 ASN A 169
PHE A 170
LEU A 173
MET A 174
CYH A 301
 None
 0.95A 4fr8A-4qyjA:
55.7		 4fr8A-4qyjA:
43.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qyj ALDEHYDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF00171
(Aldedh) 		5 ASN A 169
PHE A 170
LEU A 173
MET A 174
TRP A 177
 None
 0.47A 4fr8A-4qyjA:
55.7		 4fr8A-4qyjA:
43.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5abm RETINAL
DEHYDROGENASE 1

(Ovis aries) 		PF00171
(Aldedh) 		5 ASN A 169
PHE A 170
LEU A 173
MET A 174
CYH A 302
 TXE  A 501 (-3.5A)
None
None
None
TXE  A 501 (-4.4A)
 1.19A 4fr8A-5abmA:
65.1		 4fr8A-5abmA:
67.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5abm RETINAL
DEHYDROGENASE 1

(Ovis aries) 		PF00171
(Aldedh) 		5 ASN A 169
PHE A 170
LEU A 173
TRP A 177
CYH A 302
 TXE  A 501 (-3.5A)
None
None
None
TXE  A 501 (-4.4A)
 1.04A 4fr8A-5abmA:
65.1		 4fr8A-5abmA:
67.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fhz ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3

(Homo sapiens) 		PF00171
(Aldedh) 		5 ASN A 181
LEU A 185
MET A 186
TRP A 189
PHE A 477
 REA  A 602 (-3.9A)
None
REA  A 602 (-4.4A)
REA  A 602 ( 4.5A)
None
 1.41A 4fr8A-5fhzA:
62.7		 4fr8A-5fhzA:
63.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fhz ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3

(Homo sapiens) 		PF00171
(Aldedh) 		6 ASN A 181
PHE A 182
LEU A 185
MET A 186
TRP A 189
CYH A 314
 REA  A 602 (-3.9A)
REA  A 602 (-4.0A)
None
REA  A 602 (-4.4A)
REA  A 602 ( 4.5A)
REA  A 602 (-2.8A)
 0.82A 4fr8A-5fhzA:
62.7		 4fr8A-5fhzA:
63.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gtk BETAINE-ALDEHYDE
DEHYDROGENASE

(Bacillus cereus) 		PF00171
(Aldedh) 		6 ASN A 168
PHE A 169
MET A 173
CYH A 300
SER A 301
PHE A 463
 NAD  A 501 ( 4.1A)
None
None
NAD  A 501 (-2.8A)
None
None
 1.35A 4fr8A-5gtkA:
58.9		 4fr8A-5gtkA:
53.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gtk BETAINE-ALDEHYDE
DEHYDROGENASE

(Bacillus cereus) 		PF00171
(Aldedh) 		6 ASN A 168
PHE A 169
TRP A 176
CYH A 300
SER A 301
PHE A 463
 NAD  A 501 ( 4.1A)
None
None
NAD  A 501 (-2.8A)
None
None
 1.49A 4fr8A-5gtkA:
58.9		 4fr8A-5gtkA:
53.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5iuw ALDEHYDE
DEHYDROGENASE FAMILY
PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 6 ASN A 168
PHE A 169
MET A 173
TRP A 176
CYH A 302
ASP A 459
 NAD  A 700 ( 3.0A)
IAC  A 701 (-3.7A)
NAD  A 700 (-3.9A)
None
IAC  A 701 ( 2.8A)
IAC  A 701 (-3.0A)
 1.10A 4fr8A-5iuwA:
57.8		 4fr8A-5iuwA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5izd D-GLYCERALDEHYDE
DEHYDROGENASE
(NADP(+))

(Thermoplasma
acidophilum) 		PF00171
(Aldedh) 		5 ASN A 149
PHE A 150
MET A 154
SER A 280
CYH A 281
 None
 0.50A 4fr8A-5izdA:
55.3		 4fr8A-5izdA:
33.33
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		5 ASN C2217
LEU C2219
MET C2220
SER C2250
ASP C2208
 None
 1.23A 4fr8A-5y3rC:
undetectable		 4fr8A-5y3rC:
7.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6b5i RETINAL
DEHYDROGENASE 2

(Homo sapiens) 		no annotation 6 ASN A 187
PHE A 188
LEU A 191
MET A 192
TRP A 195
CYH A 320
 CU4  A 601 (-4.2A)
CU4  A 601 (-3.6A)
None
CU4  A 601 ( 4.7A)
CU4  A 601 (-4.2A)
CU4  A 601 (-4.2A)
 0.62A 4fr8A-6b5iA:
65.0		 4fr8A-6b5iA:
55.17
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.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum) 		no annotation 5 PHE A 261
LEU A 258
GLN A 226
SER A 219
ASP A 283
 None
 1.49A 4fr8A-6fhvA:
undetectable		 4fr8A-6fhvA:
11.11