SIMILAR PATTERNS OF AMINO ACIDS FOR 2CML_D_ZMRD4477_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
 1.33A 2cmlD-1g1aA:
undetectable		 2cmlD-1g1aA:
19.29
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
 0.39A 2cmlD-1nmbN:
70.6		 2cmlD-1nmbN:
68.38
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
 0.17A 2cmlD-1v0zA:
76.3		 2cmlD-1v0zA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.43A 2cmlD-1vcjA:
53.5		 2cmlD-1vcjA:
32.59
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)
 0.48A 2cmlD-1xogA:
71.6		 2cmlD-1xogA:
69.15
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
 1.37A 2cmlD-2arcA:
undetectable		 2cmlD-2arcA:
16.71
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
 0.62A 2cmlD-2htvA:
62.9		 2cmlD-2htvA:
45.55
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
 1.40A 2cmlD-2icuA:
undetectable		 2cmlD-2icuA:
17.97
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.
2l2f CYANOVIRIN-N HOMOLOG

(Fusarium
graminearum) 		PF08881
(CVNH) 		4 LEU A 107
ARG A  96
TRP A  50
ILE A  41
 None
 1.46A 2cmlD-2l2fA:
undetectable		 2cmlD-2l2fA:
14.40
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.
3cjd TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Jannaschia sp.
CCS1) 		PF00440
(TetR_N)
PF13305
(WHG) 		4 LEU A 107
ARG A  65
ARG A  69
ILE A  17
 CL  A 202 (-4.1A)
None
None
None
 1.28A 2cmlD-3cjdA:
undetectable		 2cmlD-3cjdA:
19.03
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
 0.67A 2cmlD-3ckzA:
64.3		 2cmlD-3ckzA:
47.31
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
 1.15A 2cmlD-3e8sA:
undetectable		 2cmlD-3e8sA:
19.00
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
 0.26A 2cmlD-3ti8A:
64.8		 2cmlD-3ti8A:
45.84
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
 0.24A 2cmlD-3tiaA:
64.7		 2cmlD-3tiaA:
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.
3u7v BETA-GALACTOSIDASE

(Caulobacter
vibrioides) 		PF02449
(Glyco_hydro_42) 		4 LEU A 112
ARG A 121
ARG A 116
ILE A 196
 None
 1.13A 2cmlD-3u7vA:
undetectable		 2cmlD-3u7vA:
21.97
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
 0.23A 2cmlD-4b7jA:
64.1		 2cmlD-4b7jA:
38.77
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
 0.21A 2cmlD-4cpnA:
53.9		 2cmlD-4cpnA:
30.56
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
 1.18A 2cmlD-4d1iA:
undetectable		 2cmlD-4d1iA:
20.33
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
 0.24A 2cmlD-4h53A:
64.7		 2cmlD-4h53A:
51.66
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)
 0.20A 2cmlD-4hzzA:
62.8		 2cmlD-4hzzA:
50.51
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)
 0.63A 2cmlD-4mjuA:
62.7		 2cmlD-4mjuA:
48.08
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
 0.19A 2cmlD-4qn3A:
72.2		 2cmlD-4qn3A:
61.89
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.
4zoy SQT1

(Chaetomium
thermophilum) 		PF00400
(WD40) 		4 LEU A 417
ARG A 414
ARG A 415
ILE A 392
 None
 1.42A 2cmlD-4zoyA:
8.2		 2cmlD-4zoyA:
21.79
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.
5hzg STRIGOLACTONE
ESTERASE D14

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		4 LEU A 113
ARG A 109
ARG A 110
ILE A 105
 None
 1.42A 2cmlD-5hzgA:
undetectable		 2cmlD-5hzgA:
19.04
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.
5w0x TIP41-LIKE PROTEIN

(Mus musculus) 		no annotation 4 LEU A 182
ARG A 217
ARG A 184
ILE A 244
 None
 1.38A 2cmlD-5w0xA:
undetectable		 2cmlD-5w0xA:
12.89
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.
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)
 0.24A 2cmlD-6br6A:
64.5		 2cmlD-6br6A:
10.80