SIMILAR PATTERNS OF AMINO ACIDS FOR 5D4U_D_SAMD301_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.
1rf5 5-ENOLPYRUVYLSHIKIMA
TE-3-PHOSPHATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		4 LYS A 170
ASP A  19
GLU A 197
THR A 192
 None
 1.02A 5d4uD-1rf5A:
0.0		 5d4uD-1rf5A:
22.64
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.
2b1n SPE31

(Pachyrhizus
erosus) 		PF00112
(Peptidase_C1) 		4 LYS A  18
ASP A  56
GLU A  85
THR A  32
 None
 1.39A 5d4uD-2b1nA:
0.0		 5d4uD-2b1nA:
19.94
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.
2o6x SECRETED CATHEPSIN L
1

(Fasciola
hepatica) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 LYS A 115
ASP A 153
GLU A 183
THR A 129
 None
 1.47A 5d4uD-2o6xA:
undetectable		 5d4uD-2o6xA:
22.63
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.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Agrobacterium
sp.) 		PF00275
(EPSP_synthase) 		4 LYS A 177
ASP A  27
GLU A 204
THR A 199
 None
 0.97A 5d4uD-2pqdA:
0.5		 5d4uD-2pqdA:
21.30
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.
2vhs CATHSILICATEIN

(Homo sapiens) 		PF00112
(Peptidase_C1) 		4 LYS A  17
ASP A  55
GLU A  86
THR A  31
 None
 1.36A 5d4uD-2vhsA:
undetectable		 5d4uD-2vhsA:
22.95
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.
3f75 CATHEPSIN L PROTEASE

(Toxoplasma
gondii) 		PF00112
(Peptidase_C1) 		4 LYS A  23
ASP A  61
GLU A  92
THR A  37
 None
 1.38A 5d4uD-3f75A:
0.0		 5d4uD-3f75A:
22.34
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.
3hwn CATHEPSIN L1

(Homo sapiens) 		PF00112
(Peptidase_C1) 		4 LYS A  17
ASP A  55
GLU A  86
THR A  31
 None
 1.44A 5d4uD-3hwnA:
undetectable		 5d4uD-3hwnA:
24.75
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.
3qj3 CATHEPSIN L-LIKE
PROTEIN

(Tenebrio
molitor) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 LYS A 121
ASP A 161
GLU A 190
THR A 135
 None
 1.37A 5d4uD-3qj3A:
0.1		 5d4uD-3qj3A:
23.46
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.
3qt4 CATHEPSIN-L-LIKE
MIDGUT CYSTEINE
PROTEINASE

(Tenebrio
molitor) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 LYS A 114
ASP A 152
GLU A 182
THR A 128
 None
 1.39A 5d4uD-3qt4A:
0.0		 5d4uD-3qt4A:
20.70
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.
3rmt 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE 1

(Bacillus
halodurans) 		PF00275
(EPSP_synthase) 		4 LYS A 174
ASP A  24
GLU A 201
THR A 196
 None
 0.97A 5d4uD-3rmtA:
undetectable		 5d4uD-3rmtA:
19.83
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.
4en8 HEMAGGLUTININ
COMPONENTS
HA-22/23/53

(Clostridium
botulinum) 		PF03505
(Clenterotox) 		4 LYS B 336
ASP B 355
GLU B 338
THR B 362
 None
 1.21A 5d4uD-4en8B:
undetectable		 5d4uD-4en8B:
23.39
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.
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		4 LYS A 485
ASP A 333
GLU A 512
THR A 507
 None
 0.85A 5d4uD-5bs5A:
undetectable		 5d4uD-5bs5A:
21.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5d5t UNCHARACTERIZED
PROTEIN MJ0489

(Methanocaldococcus
jannaschii) 		PF06690
(DUF1188) 		4 LYS A  34
ASP A  77
GLU A 139
THR A 185
 None
 0.28A 5d4uD-5d5tA:
36.2		 5d4uD-5d5tA:
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.
5hdf HYDROLASE

(Streptomyces
flocculus) 		no annotation 4 LYS B 274
ASP B 259
GLU B 271
THR B 247
 None
 0.92A 5d4uD-5hdfB:
2.2		 5d4uD-5hdfB:
21.32
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.
5nf2 MINOR FIMBRIUM
SUBUNIT MFA1

(Porphyromonas
gingivalis) 		no annotation 4 LYS A 363
ASP A 520
GLU A 327
THR A 339
 None
 1.24A 5d4uD-5nf2A:
undetectable		 5d4uD-5nf2A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5o4m HCGC

(Methanococcus
maripaludis) 		PF06690
(DUF1188) 		4 LYS A  29
ASP A  72
GLU A 134
THR A 177
 SAH  A 301 (-2.8A)
SAH  A 301 (-3.0A)
SAH  A 301 (-3.3A)
SAH  A 301 (-3.8A)
 0.30A 5d4uD-5o4mA:
36.2		 5d4uD-5o4mA:
51.09
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.
5sym ACYL-PROTEIN
THIOESTERASE 1

(Homo sapiens) 		PF02230
(Abhydrolase_2) 		4 LYS A  97
ASP A  85
GLU A  94
THR A 131
 EDO  A 304 (-2.8A)
None
EDO  A 304 ( 4.4A)
None
 1.46A 5d4uD-5symA:
undetectable		 5d4uD-5symA:
21.28
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.
6czs -

(-) 		no annotation 4 LYS A 133
ASP A 171
GLU A 202
THR A 147
 None
 1.45A 5d4uD-6czsA:
undetectable		 5d4uD-6czsA:
undetectable
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.
8pch CATHEPSIN H

(Sus scrofa) 		PF00112
(Peptidase_C1) 		4 LYS A  17
ASP A  55
GLU A  83
THR A  31
 None
 1.35A 5d4uD-8pchA:
undetectable		 5d4uD-8pchA:
22.06