SIMILAR PATTERNS OF AMINO ACIDS FOR 1QYX_A_ASDA500

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.
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		8 LEU A 149
PRO A 187
TYR A 218
HIS A 221
SER A 222
PHE A 259
GLU A 282
VAL A 283
 EST  A 350 (-4.4A)
EST  A 350 (-4.1A)
None
None
None
EST  A 350 (-4.0A)
EST  A 350 ( 4.6A)
None
 0.56A 1qyxA-1a27A:
43.4		 1qyxA-1a27A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		8 VAL A 143
LEU A 149
PRO A 187
TYR A 218
HIS A 221
PHE A 259
GLU A 282
VAL A 283
 EST  A 350 (-4.5A)
EST  A 350 (-4.4A)
EST  A 350 (-4.1A)
None
None
EST  A 350 (-4.0A)
EST  A 350 ( 4.6A)
None
 0.59A 1qyxA-1a27A:
43.4		 1qyxA-1a27A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fdw 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		7 VAL A 143
LEU A 149
PRO A 187
TYR A 218
SER A 222
PHE A 259
VAL A 283
 EST  A 350 (-4.8A)
EST  A 350 (-4.6A)
EST  A 350 (-4.3A)
None
EST  A 350 (-4.4A)
EST  A 350 (-4.4A)
EST  A 350 ( 4.9A)
 0.50A 1qyxA-1fdwA:
43.0		 1qyxA-1fdwA:
99.39
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.
1nd4 AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Klebsiella
pneumoniae) 		PF01636
(APH) 		5 VAL A  75
LEU A 126
HIS A 124
PHE A 206
VAL A 185
 None
 1.25A 1qyxA-1nd4A:
0.3		 1qyxA-1nd4A:
22.39
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.
1ufa TT1467 PROTEIN

(Thermus
thermophilus) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		5 VAL A  15
LEU A  28
TYR A  36
PHE A  23
GLU A  30
 None
 1.42A 1qyxA-1ufaA:
1.0		 1qyxA-1ufaA:
24.33
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		5 VAL A 529
LEU A 413
SER A 440
PHE A 487
VAL A 442
 None
None
None
None
GOL  A5002 ( 3.8A)
 1.44A 1qyxA-3abzA:
0.9		 1qyxA-3abzA:
17.14
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.
3c0d PUTATIVE NITRITE
REDUCTASE NADPH
(SMALL SUBUNIT)
OXIDOREDUCTASE
PROTEIN

(Vibrio
parahaemolyticus) 		PF13806
(Rieske_2) 		5 VAL A  60
LEU A  80
SER A  38
PHE A  18
VAL A  40
 None
 1.48A 1qyxA-3c0dA:
0.0		 1qyxA-3c0dA:
14.63
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.
4a73 L-LACTATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A 202
LEU A 192
SER A 318
GLU A 279
VAL A 278
 None
 1.25A 1qyxA-4a73A:
7.0		 1qyxA-4a73A:
28.17
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.
4fgi TSI1

(Pseudomonas
aeruginosa) 		no annotation 5 VAL B 136
LEU B 163
HIS B 125
SER B 115
GLU B 127
 None
 1.49A 1qyxA-4fgiB:
0.0		 1qyxA-4fgiB:
17.74
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.
5knn ALANINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF01411
(tRNA-synt_2c) 		5 LEU A 427
PRO A 421
TYR A 334
HIS A 301
VAL A 297
 None
 1.39A 1qyxA-5knnA:
0.7		 1qyxA-5knnA:
21.29
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.
6cuq MACROPHAGE MIGRATION
INHIBITORY
FACTOR-LIKE PROTEIN

(Entamoeba
histolytica) 		no annotation 5 LEU A  75
PRO A   2
TYR A  79
SER A  24
GLU A  30
 None
 1.39A 1qyxA-6cuqA:
undetectable		 1qyxA-6cuqA:
11.01