SIMILAR PATTERNS OF AMINO ACIDS FOR 4PCL_A_SAMA301_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.
1d7w MYELOPEROXIDASE
MYELOPEROXIDASE

(Homo sapiens;
Homo sapiens) 		PF03098
(An_peroxidase)
PF03098
(An_peroxidase) 		4 SER C 425
GLU A  36
ASP C 475
ASN C 472
 None
 1.34A 4pclA-1d7wC:
undetectable		 4pclA-1d7wC:
17.54
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.
1l5a AMIDE SYNTHASE

(Vibrio cholerae) 		PF00668
(Condensation) 		4 SER A 174
GLU A 168
ASP A 180
ASN A 277
 None
 1.22A 4pclA-1l5aA:
0.0		 4pclA-1l5aA:
18.54
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.
1ogo DEXTRANASE

(Talaromyces
minioluteus) 		PF03718
(Glyco_hydro_49)
PF17433
(Glyco_hydro_49N) 		4 SER X 460
GLU X 449
LYS X 447
ASP X 418
 None
BGC  X1575 (-3.1A)
BGC  X1575 (-2.9A)
GLC  X1576 (-4.1A)
 1.26A 4pclA-1ogoX:
undetectable		 4pclA-1ogoX:
17.06
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.
1s6r BETA-LACTAMASE

(Enterobacter
cloacae) 		PF00144
(Beta-lactamase) 		4 SER A 264
GLU A 272
LYS A 315
ASN A 346
 None
None
IAP  A   1 ( 4.9A)
None
 1.43A 4pclA-1s6rA:
undetectable		 4pclA-1s6rA:
22.87
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.
1uli BIPHENYL DIOXYGENASE
LARGE SUBUNIT
BIPHENYL DIOXYGENASE
SMALL SUBUNIT

(Rhodococcus
jostii;
Rhodococcus
jostii) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B) 		4 SER B 176
GLU A 341
ASP A 109
ASN A  74
 None
 1.34A 4pclA-1uliB:
undetectable		 4pclA-1uliB:
22.36
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.
1xzw PURPLE ACID
PHOSPHATASE

(Ipomoea batatas) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		4 SER A 141
LYS A   1
ASP A   8
ASN A   3
 None
 1.45A 4pclA-1xzwA:
0.0		 4pclA-1xzwA:
17.67
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.
2x98 ALKALINE PHOSPHATASE

(Halobacterium
salinarum) 		PF00245
(Alk_phosphatase) 		4 SER A 375
GLU A 317
ASP A 257
ASN A 272
 None
 1.40A 4pclA-2x98A:
3.4		 4pclA-2x98A:
19.27
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.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 SER A 116
GLU A  59
LYS A  60
ASP A 123
 None
 1.06A 4pclA-2zsuA:
13.0		 4pclA-2zsuA:
23.21
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.
3gdz ARGINYL-TRNA
SYNTHETASE

(Klebsiella
pneumoniae) 		PF03485
(Arg_tRNA_synt_N) 		4 SER A  31
GLU A  76
ASP A  38
ASN A  73
 None
None
None
EDO  A 109 ( 3.5A)
 1.25A 4pclA-3gdzA:
undetectable		 4pclA-3gdzA:
23.25
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.
3ux1 CAPSID PROTEIN VP1

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 SER A 424
LYS A 567
ASP A 611
ASN A 562
 None
 1.33A 4pclA-3ux1A:
undetectable		 4pclA-3ux1A:
16.89
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.
4haq GH7 FAMILY PROTEIN

(Limnoria
quadripunctata) 		PF00840
(Glyco_hydro_7) 		4 SER A  43
GLU A 139
ASP A  41
ASN A 142
 None
 1.48A 4pclA-4haqA:
undetectable		 4pclA-4haqA:
19.08
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.
4nsx U3 SMALL NUCLEOLAR
RNA-ASSOCIATED
PROTEIN 21

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		4 SER A 151
GLU A 107
LYS A 102
ASP A 147
 None
 1.44A 4pclA-4nsxA:
undetectable		 4pclA-4nsxA:
15.62
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.
4pav GLYOXALASE FAMILY
PROTEIN

(Staphylococcus
aureus) 		PF00903
(Glyoxalase) 		4 SER A  17
GLU A  52
LYS A  54
ASP A 116
 None
 1.48A 4pclA-4pavA:
1.8		 4pclA-4pavA:
20.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		5 SER A  70
GLU A  88
LYS A  89
ASP A 136
ASN A 138
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.6A)
SAM  A 301 (-3.2A)
MN  A 303 ( 2.7A)
SAM  A 301 (-3.4A)
 0.00A 4pclA-4pclA:
42.7		 4pclA-4pclA:
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.
4phx PROTEIN AGGB

(Escherichia
coli) 		no annotation 4 SER B  74
GLU B 115
LYS B 133
ASN B  40
 None
 1.24A 4pclA-4phxB:
undetectable		 4pclA-4phxB:
20.89
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.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		4 SER A  79
GLU A  98
ASP A 144
ASN A 146
 SAM  A1001 (-2.7A)
SAM  A1001 (-2.7A)
SAM  A1001 (-3.6A)
SAM  A1001 ( 3.5A)
 0.16A 4pclA-4ymgA:
25.9		 4pclA-4ymgA:
24.02
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.
4zgz ANTIZYME INHIBITOR 1
ORNITHINE
DECARBOXYLASE
ANTIZYME 1

(Homo sapiens;
Homo sapiens) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N)
PF02100
(ODC_AZ) 		4 SER B 191
GLU A  94
ASP A 387
ASN A  71
 None
 1.12A 4pclA-4zgzB:
undetectable		 4pclA-4zgzB:
18.58
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.
5h7c IMMUNOGLOBULIN
G-BINDING PROTEIN A,
DHR14

(Staphylococcus
aureus;
synthetic
construct) 		PF02216
(B) 		4 SER A  90
GLU A 135
LYS A 138
ASP A 129
 None
 1.45A 4pclA-5h7cA:
undetectable		 4pclA-5h7cA:
21.87
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.
5i98 FK506-BINDING
PROTEIN 1

(Candida
albicans) 		PF00254
(FKBP_C) 		4 SER A  43
GLU A 117
LYS A  86
ASP A  31
 None
 1.50A 4pclA-5i98A:
undetectable		 4pclA-5i98A:
19.91
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.
5j55 CAROTENOID OXYGENASE

(Novosphingobium
aromaticivorans) 		PF03055
(RPE65) 		4 SER A 234
GLU A 135
LYS A 134
ASN A  60
 None
V55  A 503 ( 3.3A)
V55  A 503 (-2.7A)
None
 1.46A 4pclA-5j55A:
undetectable		 4pclA-5j55A:
17.07
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.
5mqo NON-REDUCING END
BETA-L-ARABINOFURANO
SIDASE

(Bacteroides
thetaiotaomicron) 		PF07944
(Glyco_hydro_127) 		4 SER A  31
GLU A 397
ASP A  27
ASN A 471
 None
 1.48A 4pclA-5mqoA:
1.2		 4pclA-5mqoA:
16.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		4 SER A  71
GLU A  89
ASP A 139
ASN A 141
 SAM  A 306 (-2.2A)
SAM  A 306 (-2.4A)
SAM  A 306 (-2.3A)
SAM  A 306 ( 2.9A)
 0.21A 4pclA-5n5dA:
29.6		 4pclA-5n5dA:
31.12
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 4 SER A 591
GLU A 202
ASP A 641
ASN A 638
 None
 1.33A 4pclA-6azpA:
0.3		 4pclA-6azpA:
undetectable