SIMILAR PATTERNS OF AMINO ACIDS FOR 3COT_A_STRA1501_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.
1ed3 CLASS I MAJOR
HISTOCOMPATIBILITY
ANTIGEN RT1-AA

(Rattus
norvegicus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 TYR A  74
GLU A  97
TYR A 152
TRP A 133
 None
 1.26A 3cotA-1ed3A:
undetectable		 3cotA-1ed3A:
22.45
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.
1p9b ADENYLOSUCCINATE
SYNTHETASE

(Plasmodium
falciparum) 		PF00709
(Adenylsucc_synt) 		4 TYR A 416
GLU A 384
TYR A 409
TRP A 389
 None
 1.45A 3cotA-1p9bA:
1.2		 3cotA-1p9bA:
22.05
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.
1rtw TRANSCRIPTIONAL
ACTIVATOR, PUTATIVE

(Pyrococcus
furiosus) 		PF03070
(TENA_THI-4) 		4 TYR A 206
GLU A  25
TRP A 202
TRP A 138
 None
 1.48A 3cotA-1rtwA:
0.0		 3cotA-1rtwA:
18.57
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.
1vpq HYPOTHETICAL PROTEIN
TM1631

(Thermotoga
maritima) 		PF01904
(DUF72) 		4 TYR A 136
TYR A 138
GLU A 100
TRP A  53
 None
 1.28A 3cotA-1vpqA:
7.1		 3cotA-1vpqA:
23.58
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.
1yiq QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		4 TYR A 372
TYR A 414
TRP A 222
TRP A 373
 None
 1.42A 3cotA-1yiqA:
0.0		 3cotA-1yiqA:
18.83
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.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		4 TYR A 399
TYR A 749
GLU A 394
TYR A 732
 None
 1.50A 3cotA-2x2iA:
6.1		 3cotA-2x2iA:
15.23
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.
2xa2 TREHALOSE-SYNTHASE
TRET

(Pyrococcus
horikoshii) 		PF00534
(Glycos_transf_1) 		4 TYR A 111
GLU A 142
TYR A 176
TRP A 150
 None
 1.42A 3cotA-2xa2A:
0.7		 3cotA-2xa2A:
23.37
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.
3bwx ALPHA/BETA HYDROLASE

(Novosphingobium
aromaticivorans) 		PF12697
(Abhydrolase_6) 		4 TYR A 144
TYR A 180
TRP A 172
TRP A 177
 None
None
EDO  A 291 ( 3.9A)
None
 1.25A 3cotA-3bwxA:
1.8		 3cotA-3bwxA:
21.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		7 TYR A  26
TYR A  58
GLU A 120
TYR A 132
TRP A 140
TRP A 230
TRP A 314
 CI2  A 328 ( 4.0A)
CI2  A 328 ( 4.5A)
CI2  A 328 (-4.6A)
None
None
CI2  A 328 (-4.2A)
None
 0.49A 3cotA-3cavA:
54.8		 3cotA-3cavA:
94.22
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.
3dal PR DOMAIN ZINC
FINGER PROTEIN 1

(Homo sapiens) 		PF00856
(SET) 		4 TYR A 163
GLU A  14
TYR A 102
TRP A  99
 None
 1.48A 3cotA-3dalA:
undetectable		 3cotA-3dalA:
23.26
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.
3g0q A/G-SPECIFIC ADENINE
GLYCOSYLASE

(Geobacillus
stearothermophilus) 		PF00633
(HHH)
PF00730
(HhH-GPD)
PF14815
(NUDIX_4) 		4 TYR A 106
GLU A 116
TYR A 136
TRP A  40
 None
 1.33A 3cotA-3g0qA:
undetectable		 3cotA-3g0qA:
20.30
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.
3gwy PUTATIVE CTP
PYROPHOSPHOHYDROLASE

(Bacteroides
fragilis) 		PF00293
(NUDIX) 		4 TYR A  95
GLU A  58
TRP A 116
TRP A 105
 None
 1.48A 3cotA-3gwyA:
undetectable		 3cotA-3gwyA:
17.58
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.
3n9o PUTATIVE
UNCHARACTERIZED
PROTEIN

(Caenorhabditis
elegans) 		PF02373
(JmjC) 		4 TYR A 264
GLU A 262
TYR A 420
TRP A 294
 None
 1.34A 3cotA-3n9oA:
undetectable		 3cotA-3n9oA:
20.75
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.
3opw DNA
DAMAGE-RESPONSIVE
TRANSCRIPTIONAL
REPRESSOR RPH1

(Saccharomyces
cerevisiae) 		PF02373
(JmjC)
PF02375
(JmjN) 		4 TYR A 256
TYR A 328
TRP A 173
TRP A 228
 None
 1.24A 3cotA-3opwA:
undetectable		 3cotA-3opwA:
21.72
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.
3zqb PROTEIN PRGI, CELL
INVASION PROTEIN
SIPD

(Salmonella
enterica) 		PF06511
(IpaD)
PF09392
(T3SS_needle_F) 		4 TYR A 153
TYR A 312
GLU A 154
TRP A 234
 None
 1.33A 3cotA-3zqbA:
undetectable		 3cotA-3zqbA:
22.70
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.
4d7u ENDOGLUCANASE II

(Neurospora
crassa) 		PF03443
(Glyco_hydro_61) 		4 TYR A 192
GLU A 150
TYR A 217
TRP A 120
 None
 1.45A 3cotA-4d7uA:
undetectable		 3cotA-4d7uA:
20.74
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.
4eis POLYSACCHARIDE
MONOOXYGENASE-3

(Neurospora
crassa) 		PF03443
(Glyco_hydro_61) 		4 TYR B 198
GLU B 155
TYR B 215
TRP B 125
 None
 1.50A 3cotA-4eisB:
undetectable		 3cotA-4eisB:
17.88
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.
4nzk UNCHARACTERIZED
PROTEIN

([Eubacterium]
siraeum) 		PF14286
(DHHW) 		4 TYR A 203
GLU A 186
TYR A 145
TRP A 103
 None
 1.23A 3cotA-4nzkA:
undetectable		 3cotA-4nzkA:
22.22
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.
4zgq CELL DIVISION CYCLE
PROTEIN 123

(Schizosaccharomyces
pombe) 		PF07065
(D123) 		4 TYR A  42
TYR A  73
GLU A 120
TRP A 107
 None
 1.39A 3cotA-4zgqA:
undetectable		 3cotA-4zgqA:
26.39
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.
5ah5 LEUCINE--TRNA LIGASE

(Agrobacterium
tumefaciens) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		4 TYR A 117
GLU A  37
TYR A 496
TRP A  77
 None
 1.43A 3cotA-5ah5A:
undetectable		 3cotA-5ah5A:
16.81
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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN12
26S PROTEASOME
REGULATORY SUBUNIT
RPN3

(Saccharomyces
cerevisiae) 		PF01399
(PCI)
PF08375
(Rpn3_C)
PF10075
(CSN8_PSD8_EIF3K) 		4 TYR S 421
TYR T 157
GLU T 188
TRP T 226
 None
 1.47A 3cotA-5mpdS:
undetectable		 3cotA-5mpdS:
22.47
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.
5nlt CVAA9A

(Collariella
virescens) 		no annotation 4 TYR A 196
GLU A 147
TYR A 214
TRP A 117
 None
 1.43A 3cotA-5nltA:
undetectable		 3cotA-5nltA:
21.17
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.
5oie -

(-) 		no annotation 4 TYR A  88
TYR A 375
TRP A 381
TRP A  40
 SER  A 507 (-4.3A)
None
None
GOL  A 501 ( 4.0A)
 1.04A 3cotA-5oieA:
undetectable		 3cotA-5oieA:
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.
5ufv GLYCOSIDE HYDROLASE
FAMILY 61 PROTEIN

(Thermothelomyces
thermophila) 		PF03443
(Glyco_hydro_61) 		4 TYR A 196
GLU A 156
TYR A 217
TRP A 126
 None
 1.49A 3cotA-5ufvA:
undetectable		 3cotA-5ufvA:
19.32
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.
5yll BETA-1,4-MANNANASE

(Amphibacillus
xylanus) 		no annotation 4 TYR B 122
TYR B 126
TRP B 273
TRP B  11
 None
None
BMA  B 401 (-3.5A)
BMA  B 402 (-4.1A)
 1.45A 3cotA-5yllB:
9.6		 3cotA-5yllB:
10.98