SIMILAR PATTERNS OF AMINO ACIDS FOR 3TIC_D_ZMRD1002_2

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.
1g1a DTDP-D-GLUCOSE
4,6-DEHYDRATASE

(Salmonella
enterica) 		PF16363
(GDP_Man_Dehyd) 		4 LEU A 320
ARG A 241
TRP A 317
ILE A 258
 None
 1.41A 3ticD-1g1aA:
undetectable		 3ticD-1g1aA:
22.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU N 134
ARG N 152
ARG N 156
TRP N 178
ILE N 222
 None
 0.32A 3ticD-1nmbN:
63.8		 3ticD-1nmbN:
47.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v0z NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 140
ARG A 158
ARG A 162
TRP A 185
ILE A 229
 None
 0.19A 3ticD-1v0zA:
64.8		 3ticD-1v0zA:
43.86
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.
1vcj NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		5 LEU A 132
ARG A 150
ARG A 154
TRP A 177
ILE A 221
 None
IBA  A   1 (-3.9A)
IBA  A   1 (-4.1A)
None
IBA  A   1 ( 4.3A)
 0.40A 3ticD-1vcjA:
54.2		 3ticD-1vcjA:
28.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xog NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 135
ARG A 153
ARG A 157
TRP A 180
ILE A 224
 None
ABW  A1000 (-4.1A)
ABW  A1000 (-4.2A)
None
ABW  A1000 ( 4.7A)
 0.45A 3ticD-1xogA:
64.0		 3ticD-1xogA:
41.86
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.
2arc ARABINOSE OPERON
REGULATORY PROTEIN

(Escherichia
coli) 		PF02311
(AraC_binding) 		4 LEU A 161
ARG A 101
TRP A 104
ILE A 153
 None
 1.46A 3ticD-2arcA:
undetectable		 3ticD-2arcA:
14.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 134
ARG A 152
ARG A 156
TRP A 178
ILE A 222
 None
 0.50A 3ticD-2htvA:
62.5		 3ticD-2htvA:
41.33
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.
2icu HYPOTHETICAL PROTEIN
YEDK

(Escherichia
coli) 		PF02586
(SRAP) 		4 LEU A  61
ARG A 184
ARG A 180
ILE A 187
 None
 1.48A 3ticD-2icuA:
undetectable		 3ticD-2icuA:
17.65
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.
2y3s TAML

(Streptomyces
sp. 307-9) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 LEU A 200
ARG A  91
TRP A 199
ILE A 168
 None
 1.29A 3ticD-2y3sA:
undetectable		 3ticD-2y3sA:
20.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ckz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 134
ARG A 152
ARG A 156
TRP A 178
ILE A 222
 None
ZMR  A 469 (-3.9A)
ZMR  A 469 (-3.4A)
None
None
 0.65A 3ticD-3ckzA:
64.1		 3ticD-3ckzA:
41.94
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.
3e8s PUTATIVE SAM
DEPENDENT
METHYLTRANSFERASE

(Pseudomonas
putida) 		PF13489
(Methyltransf_23) 		4 LEU A 192
ARG A 186
TRP A 191
ILE A 130
 None
 1.12A 3ticD-3e8sA:
undetectable		 3ticD-3e8sA:
17.81
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.
3p56 RIBONUCLEASE H2
SUBUNIT A

(Homo sapiens) 		PF01351
(RNase_HII) 		4 LEU A 220
ARG A 235
TRP A 238
ILE A 101
 None
 1.45A 3ticD-3p56A:
undetectable		 3ticD-3p56A:
20.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 134
ARG A 152
ARG A 156
TRP A 178
ILE A 222
 None
LNV  A 901 (-4.0A)
LNV  A 901 (-4.0A)
None
None
 0.11A 3ticD-3ti8A:
65.3		 3ticD-3ti8A:
39.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tia NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 134
ARG A 152
ARG A 156
TRP A 178
ILE A 222
 None
LNV  A 801 (-3.9A)
LNV  A 801 (-4.0A)
None
None
 0.06A 3ticD-3tiaA:
76.5		 3ticD-3tiaA:
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.
3u7v BETA-GALACTOSIDASE

(Caulobacter
vibrioides) 		PF02449
(Glyco_hydro_42) 		4 LEU A 112
ARG A 121
ARG A 116
ILE A 196
 None
 1.19A 3ticD-3u7vA:
undetectable		 3ticD-3u7vA:
21.20
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.
3v7i PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N) 		4 LEU A 205
ARG A  51
TRP A  53
ILE A  22
 None
 1.31A 3ticD-3v7iA:
undetectable		 3ticD-3v7iA:
22.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b7j NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 LEU A 134
ARG A 152
ARG A 156
TRP A 179
 None
G39  A1470 (-3.9A)
None
None
 0.16A 3ticD-4b7jA:
64.0		 3ticD-4b7jA:
45.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cpn NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		5 LEU A 131
ARG A 149
ARG A 153
TRP A 176
ILE A 220
 None
ZMR  A 700 (-4.0A)
ZMR  A 700 (-4.2A)
None
None
 0.11A 3ticD-4cpnA:
55.0		 3ticD-4cpnA:
30.14
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.
4d1i BETA-GALACTOSIDASE,
PUTATIVE, BGL35A

(Cellvibrio
japonicus) 		PF02449
(Glyco_hydro_42) 		4 LEU A 115
ARG A 124
ARG A 119
ILE A 198
 None
 1.23A 3ticD-4d1iA:
undetectable		 3ticD-4d1iA:
19.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h53 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 134
ARG A 152
ARG A 156
TRP A 178
ILE A 222
 None
SLB  A 512 (-3.8A)
None
None
None
 0.07A 3ticD-4h53A:
76.4		 3ticD-4h53A:
99.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hzz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 134
ARG A 152
ARG A 156
TRP A 178
ILE A 222
 None
G39  A 509 (-3.9A)
None
None
G39  A 509 ( 4.1A)
 0.14A 3ticD-4hzzA:
64.7		 3ticD-4hzzA:
45.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 134
ARG A 152
ARG A 156
TRP A 178
ILE A 222
 None
27S  A 501 (-4.2A)
None
None
27S  A 501 ( 4.6A)
 0.58A 3ticD-4mjuA:
62.7		 3ticD-4mjuA:
42.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qn3 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A  52
ARG A  70
ARG A  74
TRP A  97
ILE A 141
 None
 0.25A 3ticD-4qn3A:
64.4		 3ticD-4qn3A:
43.88
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.
4zoy SQT1

(Chaetomium
thermophilum) 		PF00400
(WD40) 		4 LEU A 417
ARG A 414
ARG A 415
ILE A 392
 None
 1.49A 3ticD-4zoyA:
8.7		 3ticD-4zoyA:
21.25
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.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		4 LEU A 519
ARG A 738
ARG A 496
ILE A 742
 None
 1.48A 3ticD-5by3A:
undetectable		 3ticD-5by3A:
20.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 5 LEU A 134
ARG A 152
ARG A 156
TRP A 178
ILE A 222
 None
E3M  A 511 (-3.8A)
None
None
E3M  A 511 ( 4.3A)
 0.10A 3ticD-6br6A:
74.6		 3ticD-6br6A:
90.00
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.
6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4

(Homo sapiens) 		no annotation 4 LEU A  61
ARG B  35
ARG B  36
ILE B  46
 LEU  A  61 ( 0.6A)
ARG  B  35 ( 0.6A)
ARG  B  36 ( 0.6A)
ILE  B  46 ( 0.7A)
 1.43A 3ticD-6c0wA:
undetectable		 3ticD-6c0wA:
9.89