SIMILAR PATTERNS OF AMINO ACIDS FOR 4Y4J_A_LNRA412_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.
1htq GLUTAMINE SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 ASP A 263
TYR A 133
PHE A 135
ASP A 152
LEU A 260
 None
 1.08A 4y4jA-1htqA:
undetectable		 4y4jA-1htqA:
20.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ibq ASPERGILLOPEPSIN

(Aspergillus
phoenicis) 		PF00026
(Asp) 		7 ASP A  30
ASP A  32
TYR A  74
SER A  78
PHE A 111
ASP A 114
LEU A 120
 None
ZN  A1457 (-1.9A)
None
None
None
None
None
 0.55A 4y4jA-1ibqA:
49.0		 4y4jA-1ibqA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ibq ASPERGILLOPEPSIN

(Aspergillus
phoenicis) 		PF00026
(Asp) 		6 ASP A  32
TYR A  74
SER A  78
SER A 108
PHE A 111
LEU A 120
 ZN  A1457 (-1.9A)
None
None
None
None
None
 1.27A 4y4jA-1ibqA:
49.0		 4y4jA-1ibqA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ibq ASPERGILLOPEPSIN

(Aspergillus
phoenicis) 		PF00026
(Asp) 		5 TYR A  74
ASP A  76
SER A  78
PHE A 111
ASP A 114
 None
 0.74A 4y4jA-1ibqA:
49.0		 4y4jA-1ibqA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ibq ASPERGILLOPEPSIN

(Aspergillus
phoenicis) 		PF00026
(Asp) 		5 TYR A  74
ASP A  76
SER A  78
SER A 108
PHE A 111
 None
 1.12A 4y4jA-1ibqA:
49.0		 4y4jA-1ibqA:
56.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae) 		PF00026
(Asp) 		8 ASP A  31
ASP A  33
TYR A  75
ASP A  77
SER A  79
PHE A 112
ASP A 115
LEU A 121
 None
 0.40A 4y4jA-1izeA:
50.0		 4y4jA-1izeA:
58.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae) 		PF00026
(Asp) 		5 ASP A  33
ASP A  77
SER A  79
PHE A 112
LEU A 121
 None
 1.44A 4y4jA-1izeA:
50.0		 4y4jA-1izeA:
58.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae) 		PF00026
(Asp) 		6 ASP A  33
TYR A  75
SER A  79
SER A 109
PHE A 112
LEU A 121
 None
 1.44A 4y4jA-1izeA:
50.0		 4y4jA-1izeA:
58.01
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.
1j1w ISOCITRATE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF03971
(IDH) 		5 ASP A 495
ASP A 489
TYR A 182
ASP A 379
SER A 225
 None
 1.42A 4y4jA-1j1wA:
undetectable		 4y4jA-1j1wA:
20.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uh9 HIZOPUSPEPSIN I

(Rhizopus
microsporus) 		PF00026
(Asp) 		8 ASP A  33
ASP A  35
TYR A  77
ASP A  79
SER A  81
SER A 113
PHE A 114
LEU A 122
 None
 0.26A 4y4jA-1uh9A:
42.6		 4y4jA-1uh9A:
40.46
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.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		5 ASP A  32
TYR A  84
ASP A  86
SER A  88
ASP A 120
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
A70  A 500 (-3.1A)
A70  A 500 ( 4.2A)
None
 1.15A 4y4jA-1zapA:
36.4		 4y4jA-1zapA:
29.48
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.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		5 ASP A  32
TYR A  84
SER A  88
SER A 118
ASP A 120
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
A70  A 500 ( 4.2A)
None
None
 1.45A 4y4jA-1zapA:
36.4		 4y4jA-1zapA:
29.48
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.
2qzx CANDIDAPEPSIN-5

(Candida
albicans) 		PF00026
(Asp) 		5 ASP A  32
TYR A  84
ASP A  86
SER A  88
SER A 118
 None
 1.09A 4y4jA-2qzxA:
36.1		 4y4jA-2qzxA:
29.57
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.
2uy1 CLEAVAGE STIMULATION
FACTOR 77

(Encephalitozoon
cuniculi) 		PF05843
(Suf) 		5 ASP A 369
TYR A 340
SER A 344
PHE A 360
LEU A 364
 None
 1.36A 4y4jA-2uy1A:
undetectable		 4y4jA-2uy1A:
18.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum) 		PF00026
(Asp) 		7 ASP A  33
TYR A  75
ASP A  77
SER A  79
PHE A 112
ASP A 115
LEU A 121
 PP6  A 327 ( 2.7A)
PP6  A 327 (-3.8A)
PP6  A 327 (-3.5A)
PP6  A 327 (-3.4A)
PP6  A 327 ( 4.9A)
None
None
 0.43A 4y4jA-2wedA:
47.9		 4y4jA-2wedA:
54.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum) 		PF00026
(Asp) 		7 ASP A  33
TYR A  75
ASP A  77
SER A  79
SER A 109
PHE A 112
LEU A 121
 PP6  A 327 ( 2.7A)
PP6  A 327 (-3.8A)
PP6  A 327 (-3.5A)
PP6  A 327 (-3.4A)
None
PP6  A 327 ( 4.9A)
None
 1.42A 4y4jA-2wedA:
47.9		 4y4jA-2wedA:
54.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE

(Trichoderma
reesei) 		PF00026
(Asp) 		8 ASP A  30
ASP A  32
TYR A  75
ASP A  77
SER A  79
PHE A 111
ASP A 114
LEU A 120
 None
 0.37A 4y4jA-3emyA:
52.0		 4y4jA-3emyA:
60.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE

(Trichoderma
reesei) 		PF00026
(Asp) 		6 ASP A  32
TYR A  75
SER A  79
SER A 108
PHE A 111
LEU A 120
 None
 1.45A 4y4jA-3emyA:
52.0		 4y4jA-3emyA:
60.61
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.
3fg2 PUTATIVE RUBREDOXIN
REDUCTASE

(Rhodopseudomonas
palustris) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 ASP P 384
TYR P 317
ASP P 315
SER P 281
PHE P 284
 None
 1.35A 4y4jA-3fg2P:
undetectable		 4y4jA-3fg2P:
22.09
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.
3jaz VIRAL STRUCTURAL
PROTEIN 5

(Cypovirus 1) 		no annotation 5 SER D 185
SER D 181
PHE D 179
ASP D 249
LEU D 252
 None
 1.26A 4y4jA-3jazD:
undetectable		 4y4jA-3jazD:
21.08
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.
5gtq LUCIFERIN
REGENERATING ENZYME

(Photinus
pyralis) 		PF08450
(SGL) 		5 SER A  74
SER A  59
PHE A  60
ASP A 111
LEU A 120
 None
None
None
MG  A 403 ( 4.6A)
None
 1.34A 4y4jA-5gtqA:
undetectable		 4y4jA-5gtqA:
22.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		7 ASP A  33
ASP A  35
TYR A  79
ASP A  81
PHE A 116
ASP A 119
LEU A 125
 61P  A 406 (-4.0A)
61P  A 406 (-2.7A)
61P  A 406 (-4.3A)
61P  A 406 ( 2.8A)
61P  A 406 ( 4.7A)
61P  A 406 ( 4.9A)
None
 0.72A 4y4jA-5hctA:
58.6		 4y4jA-5hctA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		8 ASP A  33
ASP A  35
TYR A  79
ASP A  81
SER A  83
SER A 115
PHE A 116
LEU A 125
 61P  A 406 (-4.0A)
61P  A 406 (-2.7A)
61P  A 406 (-4.3A)
61P  A 406 ( 2.8A)
61P  A 406 (-3.0A)
None
61P  A 406 ( 4.7A)
None
 0.22A 4y4jA-5hctA:
58.6		 4y4jA-5hctA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		6 ASP A  35
TYR A  79
SER A  83
SER A 113
PHE A 116
LEU A 125
 61P  A 406 (-2.7A)
61P  A 406 (-4.3A)
61P  A 406 (-3.0A)
None
61P  A 406 ( 4.7A)
None
 1.36A 4y4jA-5hctA:
58.6		 4y4jA-5hctA:
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.
5ogl UNDECAPRENYL-DIPHOSP
HOOLIGOSACCHARIDE--P
ROTEIN
GLYCOTRANSFERASE

(Campylobacter
lari) 		no annotation 5 ASP A 554
TYR A 534
SER A 545
PHE A 551
ASP A 548
 None
 1.47A 4y4jA-5oglA:
undetectable		 4y4jA-5oglA:
18.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		9 ASP A  33
ASP A  35
TYR A  79
ASP A  81
SER A  83
SER A 115
PHE A 116
ASP A 119
LEU A 125
 None
 0.28A 4y4jA-5p60A:
58.6		 4y4jA-5p60A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		6 ASP A  35
TYR A  79
SER A  83
SER A 113
PHE A 116
LEU A 125
 None
 1.45A 4y4jA-5p60A:
58.6		 4y4jA-5p60A:
100.00