SIMILAR PATTERNS OF AMINO ACIDS FOR 1KAR_B_HSMB503_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.
1kae HISTIDINOL
DEHYDROGENASE

(Escherichia
coli) 		PF00815
(Histidinol_dh) 		6 LEU A 138
SER A 140
HIS A 262
ASP A 360
TYR A 361
HIS A 367
 HSO  A1001 ( 4.1A)
HSO  A1001 (-3.5A)
ZN  A1101 ( 3.3A)
HSO  A1001 ( 2.7A)
HSO  A1001 (-4.4A)
HSO  A1001 (-3.5A)
 0.21A 1karA-1kaeA:
57.4
1karB-1kaeA:
56.1		 1karA-1kaeA:
100.00
1karB-1kaeA:
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.
2wyh ALPHA-MANNOSIDASE

(Streptococcus
pyogenes) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		5 LEU A  89
HIS A 351
HIS A  13
ASP A  15
HIS A 233
 None
ZN  A 902 (-3.4A)
ZN  A 902 (-3.4A)
ZN  A 902 (-2.8A)
None
 1.46A 1karA-2wyhA:
0.0
1karB-2wyhA:
0.0		 1karA-2wyhA:
20.79
1karB-2wyhA:
20.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g09 HISTIDINOL
DEHYDROGENASE

(Brucella suis) 		PF00815
(Histidinol_dh) 		5 SER A 140
HIS A 262
ASP A 361
TYR A 362
HIS A 368
 0VD  A 505 (-3.2A)
ZN  A 501 (-3.3A)
0VD  A 505 (-2.3A)
0VD  A 505 (-4.4A)
0VD  A 505 (-3.6A)
 0.31A 1karA-4g09A:
51.4
1karB-4g09A:
51.0		 1karA-4g09A:
40.67
1karB-4g09A:
40.67
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.
4jzy CRYPTOCHROME-1

(Drosophila
melanogaster) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 GLU A 111
HIS A 138
SER A 414
HIS A  13
TYR A 319
 None
 1.48A 1karA-4jzyA:
1.7
1karB-4jzyA:
1.7		 1karA-4jzyA:
23.30
1karB-4jzyA:
23.30
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.
4xii CHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 GLU A 443
LEU A 448
HIS A 126
ASP A 454
TYR A 456
 None
 1.27A 1karA-4xiiA:
1.4
1karB-4xiiA:
2.4		 1karA-4xiiA:
21.63
1karB-4xiiA:
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.
5k1c UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 12
WD REPEAT-CONTAINING
PROTEIN 48

(Homo sapiens) 		PF00400
(WD40)
PF00443
(UCH) 		5 GLU A 241
LEU A 187
SER B 170
HIS A 243
TYR B 172
 None
 1.31A 1karA-5k1cA:
0.0
1karB-5k1cA:
0.0		 1karA-5k1cA:
20.97
1karB-5k1cA:
20.97
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 GLU A1213
LEU A1096
LEU A1026
HIS A1041
TYR A1094
 None
 1.23A 1karA-5kf7A:
6.1
1karB-5kf7A:
6.3		 1karA-5kf7A:
17.85
1karB-5kf7A:
17.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vld HISTIDINOL
DEHYDROGENASE,
CHLOROPLASTIC

(Medicago
truncatula) 		PF00815
(Histidinol_dh) 		6 LEU A 174
SER A 176
HIS A 302
ASP A 401
TYR A 402
HIS A 408
 HIS  A 501 (-4.3A)
HIS  A 501 (-3.4A)
NAD  A 502 (-3.9A)
HIS  A 501 ( 2.7A)
HIS  A 501 (-4.4A)
HIS  A 501 ( 3.4A)
 0.37A 1karA-5vldA:
46.3
1karB-5vldA:
45.7		 1karA-5vldA:
48.13
1karB-5vldA:
48.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6an0 HISTIDINOL
DEHYDROGENASE

(Elizabethkingia
anophelis) 		PF00815
(Histidinol_dh) 		6 LEU A 132
SER A 134
HIS A 258
ASP A 356
TYR A 357
HIS A 363
 None
None
ZN  A 501 (-3.3A)
ZN  A 501 (-2.7A)
None
None
 0.24A 1karA-6an0A:
51.7
1karB-6an0A:
51.0		 1karA-6an0A:
49.67
1karB-6an0A:
49.67
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.
6bde 2,4-DIHYDROXYHEPT-2-
ENE-1,7-DIOIC ACID
ALDOLASE

(Kordia algicida) 		no annotation 5 GLU A  47
LEU A  51
LEU A  31
SER A  33
TYR A  37
 None
 1.05A 1karA-6bdeA:
undetectable
1karB-6bdeA:
undetectable		 1karA-6bdeA:
11.74
1karB-6bdeA:
11.74