SIMILAR PATTERNS OF AMINO ACIDS FOR 2XYT_G_TC9G1206_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.
2h2w HOMOSERINE
O-SUCCINYLTRANSFERAS
E

(Thermotoga
maritima) 		PF04204
(HTS) 		4 TYR A 262
CYH A 142
GLU A 236
TYR A 237
 None
 1.41A 2xytG-2h2wA:
undetectable		 2xytG-2h2wA:
21.97
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.
2m9a E3 UBIQUITIN-PROTEIN
LIGASE ZFP91

(Homo sapiens) 		PF00096
(zf-C2H2) 		4 TYR A  18
CYH A  19
CYH A  16
GLU A  17
 None
ZN  A 101 (-2.3A)
ZN  A 101 (-2.3A)
None
 1.25A 2xytG-2m9aA:
undetectable		 2xytG-2m9aA:
17.50
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.
2vdj HOMOSERINE
O-SUCCINYLTRANSFERAS
E

(Bacillus cereus) 		PF04204
(HTS) 		4 TYR A 263
CYH A 142
GLU A 237
TYR A 238
 None
HSE  A1298 (-3.3A)
None
None
 1.42A 2xytG-2vdjA:
0.0		 2xytG-2vdjA:
22.92
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.
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
 1.46A 2xytG-3bwkA:
0.0		 2xytG-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.
3g4f (+)-DELTA-CADINENE
SYNTHASE ISOZYME XC1

(Gossypium
arboreum) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 TYR A 472
CYH A 471
GLU A 475
TYR A 476
 None
 1.30A 2xytG-3g4fA:
undetectable		 2xytG-3g4fA:
19.43
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
 1.40A 2xytG-3ju1A:
0.0		 2xytG-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.
3pz9 MANNAN
ENDO-1,4-BETA-MANNOS
IDASE. GLYCOSYL
HYDROLASE FAMILY 5

(Thermotoga
petrophila) 		PF00150
(Cellulase) 		4 TYR A 318
TRP A 335
GLU A 388
TYR A 389
 None
 1.44A 2xytG-3pz9A:
0.0		 2xytG-3pz9A:
18.21
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.
3tat TYROSINE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		4 TYR A 263
TYR A 225
CYH A 191
CYH A 192
 None
 1.40A 2xytG-3tatA:
0.0		 2xytG-3tatA:
20.79
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.
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
 1.28A 2xytG-3tswA:
undetectable		 2xytG-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
 1.34A 2xytG-4bomA:
0.0		 2xytG-4bomA:
15.71
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
 0.57A 2xytG-4hqpA:
26.0		 2xytG-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.
4ip4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Ruegeria sp.
TM1040) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TRP A 131
TYR A 367
CYH A 371
TYR A 183
 None
 1.47A 2xytG-4ip4A:
undetectable		 2xytG-4ip4A:
18.82
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
 1.41A 2xytG-4jhzA:
undetectable		 2xytG-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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 TYR B 374
TRP B 277
GLU B 424
TYR B 421
 None
 1.48A 2xytG-4l37B:
undetectable		 2xytG-4l37B:
14.74
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.
4noh LIPOPROTEIN,
PUTATIVE

(Bacillus
anthracis) 		PF17294
(Lipoprotein_22) 		4 TYR A 146
TYR A  36
GLU A 188
TYR A 142
 None
 1.38A 2xytG-4nohA:
undetectable		 2xytG-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
 1.26A 2xytG-4rkcA:
undetectable		 2xytG-4rkcA:
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.
4wd2 AROMATIC-AMINO-ACID
TRANSAMINASE TYRB

(Burkholderia
cenocepacia) 		PF00155
(Aminotran_1_2) 		4 TYR A 251
TYR A 214
CYH A 180
CYH A 181
 LLP  A 246 ( 4.6A)
LLP  A 246 ( 4.0A)
None
None
 1.31A 2xytG-4wd2A:
undetectable		 2xytG-4wd2A:
20.82
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
 0.83A 2xytG-4zjsA:
29.4		 2xytG-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.
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
 1.07A 2xytG-5msyA:
undetectable		 2xytG-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
 0.40A 2xytG-5xglA:
31.4		 2xytG-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
 1.38A 2xytG-6cc0A:
undetectable		 2xytG-6cc0A:
17.48