SIMILAR PATTERNS OF AMINO ACIDS FOR 2XYT_D_TC9D1206_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.
1deu PROCATHEPSIN X

(Homo sapiens) 		PF00112
(Peptidase_C1) 		4 TRP A 202
TYR A 169
GLU A 208
TYR A 164
 None
 1.29A 2xytD-1deuA:
undetectable		 2xytD-1deuA:
24.11
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.
1ef7 CATHEPSIN X

(Homo sapiens) 		PF00112
(Peptidase_C1) 		4 TRP A 202
TYR A 169
GLU A 208
TYR A 164
 None
 1.28A 2xytD-1ef7A:
0.0		 2xytD-1ef7A:
21.86
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.
2bdz MEXICAIN

(Jacaratia
mexicana) 		PF00112
(Peptidase_C1) 		4 TRP A 177
TYR A 149
GLU A 183
TYR A 144
 None
 1.46A 2xytD-2bdzA:
undetectable		 2xytD-2bdzA:
20.59
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.
3bwk CYSTEINE PROTEASE
FALCIPAIN-3

(Plasmodium
falciparum) 		PF00112
(Peptidase_C1) 		4 TRP A 215
TYR A 173
GLU A 221
TYR A 168
 C1P  A 300 (-4.0A)
None
None
None
 1.31A 2xytD-3bwkA:
0.0		 2xytD-3bwkA:
18.65
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.
3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Shewanella
oneidensis) 		PF16113
(ECH_2) 		4 TYR A 163
TRP A 321
TYR A 110
GLU A 107
 None
 1.43A 2xytD-3ju1A:
0.0		 2xytD-3ju1A:
18.14
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.
3tsw TIGHT JUNCTION
PROTEIN ZO-1

(Homo sapiens) 		PF00595
(PDZ)
PF00625
(Guanylate_kin)
PF07653
(SH3_2) 		4 TYR A 633
TRP A 557
GLU A 530
TYR A 527
 None
 1.31A 2xytD-3tswA:
0.0		 2xytD-3tswA:
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.
4bom ENVELOPE
GLYCOPROTEIN B

(Human
alphaherpesvirus
1) 		PF00606
(Glycoprotein_B)
PF17416
(Glycoprot_B_PH1)
PF17417
(Glycoprot_B_PH2) 		4 TYR A 114
CYH A 573
CYH A 116
GLU A 622
 None
 1.16A 2xytD-4bomA:
undetectable		 2xytD-4bomA:
15.71
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.
4bpt PHENYLALANINE-4-HYDR
OXYLASE (PAH)
(PHE-4-MONOOXYGENASE
)

(Legionella
pneumophila) 		PF00351
(Biopterin_H) 		4 TYR A 180
CYH A  44
GLU A  46
TYR A 230
 None
 1.35A 2xytD-4bptA:
0.0		 2xytD-4bptA:
22.57
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.
4c1r MANNOSYL-6-PHOSPHATA
SE

(Bacteroides
thetaiotaomicron) 		PF03372
(Exo_endo_phos) 		4 TYR A 261
CYH A 224
GLU A 222
TYR A 221
 None
 1.34A 2xytD-4c1rA:
0.0		 2xytD-4c1rA:
20.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hqp ALPHA7 NICOTINIC
RECEPTOR CHIMERA

(Homo sapiens;
Lymnaea
stagnalis) 		PF02931
(Neur_chan_LBD) 		4 TYR A  91
TRP A 145
TYR A 184
TYR A 191
 None
 0.60A 2xytD-4hqpA:
19.3		 2xytD-4hqpA:
36.06
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.
4jhz BETA-GLUCURONIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		4 TYR A 468
TYR A 533
GLU A 546
TYR A 505
 1KV  A 701 ( 4.5A)
None
None
None
 1.33A 2xytD-4jhzA:
undetectable		 2xytD-4jhzA:
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.
4noh LIPOPROTEIN,
PUTATIVE

(Bacillus
anthracis) 		PF17294
(Lipoprotein_22) 		4 TYR A 146
TYR A  36
GLU A 188
TYR A 142
 None
 1.40A 2xytD-4nohA:
undetectable		 2xytD-4nohA:
21.92
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.
4rkc AROMATIC AMINO ACID
AMINOTRANSFERASE

(Psychrobacter
sp. B6) 		PF00155
(Aminotran_1_2) 		4 TYR A 251
TYR A 214
CYH A 180
CYH A 181
 None
PMP  A 409 ( 4.5A)
None
None
 1.34A 2xytD-4rkcA:
undetectable		 2xytD-4rkcA:
20.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zjs ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR,ACETYLCHOLI
NE RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR

(Aplysia
californica;
Homo sapiens) 		PF02931
(Neur_chan_LBD) 		5 TYR A  93
TRP A 147
TYR A 188
GLU A 193
TYR A 195
 None
 0.71A 2xytD-4zjsA:
22.2		 2xytD-4zjsA:
78.07
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.
5fi5 TETRAHYDROALSTONINE
SYNTHASE

(Catharanthus
roseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 TYR A  72
TYR A  56
CYH A 162
GLU A  77
 None
None
ZN  A 402 (-2.2A)
ZN  A 402 (-3.0A)
 1.40A 2xytD-5fi5A:
undetectable		 2xytD-5fi5A:
21.59
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 TYR A1362
TYR A1349
GLU A 870
TYR A1365
 None
 1.21A 2xytD-5ip9A:
undetectable		 2xytD-5ip9A:
9.91
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.
5msy GLYCOSIDE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		4 TYR A  77
TRP A 347
TYR A 356
GLU A 288
 None
 1.11A 2xytD-5msyA:
undetectable		 2xytD-5msyA:
17.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xgl SOLUBLE
ACETYLCHOLINE
RECEPTOR

(Aplysia
californica) 		no annotation 4 TYR A  91
TRP A 145
GLU A 191
TYR A 193
 None
 0.45A 2xytD-5xglA:
31.7		 2xytD-5xglA:
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.
6cc0 LUXR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		no annotation 4 TRP A 102
TYR A  66
GLU A  69
TYR A  71
 EWM  A 301 (-4.9A)
EWM  A 301 (-4.4A)
None
None
 1.29A 2xytD-6cc0A:
undetectable		 2xytD-6cc0A:
17.48