SIMILAR PATTERNS OF AMINO ACIDS FOR 5L7I_A_VISA1202_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.
1nyq THREONYL-TRNA
SYNTHETASE 1

(Staphylococcus
aureus) 		PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD) 		5 TYR A 468
PHE A 493
ASN A 335
LEU A 383
MET A 363
 None
None
None
TSB  A1002 (-4.6A)
TSB  A1002 ( 4.1A)
 1.40A 5l7iA-1nyqA:
0.0		 5l7iA-1nyqA:
21.89
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.
1s7j PHENAZINE
BIOSYNTHESIS PROTEIN
PHZF FAMILY

(Enterococcus
faecalis) 		PF02567
(PhzC-PhzF) 		5 ASN A  19
ASP A 200
ARG A 144
ASN A 209
LEU A 210
 None
 1.36A 5l7iA-1s7jA:
0.0		 5l7iA-1s7jA:
17.69
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.
2b1p MITOGEN-ACTIVATED
PROTEIN KINASE 10

(Homo sapiens) 		PF00069
(Pkinase) 		5 TRP A 272
ASP A 343
ARG A 347
GLU A 233
LEU A 236
 None
SO4  A 503 (-4.7A)
None
None
None
 1.46A 5l7iA-2b1pA:
2.1		 5l7iA-2b1pA:
20.49
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.
2fvm DIHYDROPYRIMIDINASE

(Lachancea
kluyveri) 		PF01979
(Amidohydro_1) 		5 ASP A 307
SER A 310
ARG A 411
GLU A 487
LEU A 468
 None
 1.36A 5l7iA-2fvmA:
0.3		 5l7iA-2fvmA:
20.55
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.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1

(Mus musculus) 		PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40) 		5 ASN A1238
ASP A1237
TYR A1243
ASN A 551
LEU A 550
 None
None
None
GBL  A1254 (-3.4A)
GBL  A1254 ( 4.2A)
 1.48A 5l7iA-3sfzA:
2.9		 5l7iA-3sfzA:
20.16
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.
4dun PUTATIVE PHENAZINE
BIOSYNTHESIS
PHZC/PHZF PROTEIN

(Clostridioides
difficile) 		PF02567
(PhzC-PhzF) 		5 ASN A  17
ASP A 197
ARG A 142
ASN A 206
LEU A 207
 BTB  A 302 ( 4.6A)
BTB  A 302 (-2.8A)
BTB  A 302 ( 4.4A)
None
None
 1.25A 5l7iA-4dunA:
undetectable		 5l7iA-4dunA:
18.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n4w CYTOCHROME
B(562),SMOOTHENED
HOMOLOG

(Homo sapiens;
Shigella
flexneri) 		PF01534
(Frizzled)
PF07361
(Cytochrom_B562) 		11 ASN A 219
TRP A 281
ASP A 384
SER A 387
TYR A 394
ARG A 400
GLN A 477
PHE A 484
GLU A 518
ASN A 521
LEU A 522
 None
None
SNT  A 605 ( 4.7A)
SNT  A 605 (-4.6A)
None
None
None
None
SNT  A 605 (-4.0A)
SNT  A 605 (-3.6A)
SNT  A 605 ( 4.4A)
 0.65A 5l7iA-4n4wA:
45.6		 5l7iA-4n4wA:
61.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n4w CYTOCHROME
B(562),SMOOTHENED
HOMOLOG

(Homo sapiens;
Shigella
flexneri) 		PF01534
(Frizzled)
PF07361
(Cytochrom_B562) 		8 ASN A 219
TRP A 281
ASP A 384
SER A 387
TYR A 394
GLN A 477
LEU A 522
MET A 525
 None
None
SNT  A 605 ( 4.7A)
SNT  A 605 (-4.6A)
None
None
SNT  A 605 ( 4.4A)
SNT  A 605 (-4.6A)
 0.73A 5l7iA-4n4wA:
45.6		 5l7iA-4n4wA:
61.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o9r SMOOTHENED
HOMOLOG/SOLUBLE
CYTOCHROME B562
CHIMERIC PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF01534
(Frizzled)
PF07361
(Cytochrom_B562) 		6 ASN A 219
TRP A 281
ASP A 384
SER A 387
LEU A 522
MET A 525
 CY8  A1201 (-3.3A)
None
CY8  A1201 (-3.2A)
None
None
None
 1.04A 5l7iA-4o9rA:
44.5		 5l7iA-4o9rA:
74.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o9r SMOOTHENED
HOMOLOG/SOLUBLE
CYTOCHROME B562
CHIMERIC PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF01534
(Frizzled)
PF07361
(Cytochrom_B562) 		10 ASN A 219
TRP A 281
ASP A 384
SER A 387
TYR A 394
ARG A 400
GLN A 477
GLU A 518
ASN A 521
LEU A 522
 CY8  A1201 (-3.3A)
None
CY8  A1201 (-3.2A)
None
CY8  A1201 (-4.3A)
CY8  A1201 (-3.9A)
CY8  A1201 (-3.7A)
CY8  A1201 (-3.3A)
None
None
 0.85A 5l7iA-4o9rA:
44.5		 5l7iA-4o9rA:
74.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o9r SMOOTHENED
HOMOLOG/SOLUBLE
CYTOCHROME B562
CHIMERIC PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF01534
(Frizzled)
PF07361
(Cytochrom_B562) 		5 TYR A 394
ARG A 400
GLN A 477
PHE A 484
LEU A 522
 CY8  A1201 (-4.3A)
CY8  A1201 (-3.9A)
CY8  A1201 (-3.7A)
CY8  A1201 (-3.9A)
None
 0.89A 5l7iA-4o9rA:
44.5		 5l7iA-4o9rA:
74.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l7d SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG

(Escherichia
coli;
Homo sapiens) 		PF01392
(Fz)
PF01534
(Frizzled)
PF07361
(Cytochrom_B562) 		10 ASN A 219
TRP A 281
ASP A 384
SER A 387
TYR A 394
ARG A 400
GLN A 477
GLU A 518
ASN A 521
LEU A 522
 None
 0.68A 5l7iA-5l7dA:
45.1		 5l7iA-5l7dA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l7d SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG

(Escherichia
coli;
Homo sapiens) 		PF01392
(Fz)
PF01534
(Frizzled)
PF07361
(Cytochrom_B562) 		8 ASN A 219
TRP A 281
ASP A 384
SER A 387
TYR A 394
GLN A 477
LEU A 522
MET A 525
 None
 0.86A 5l7iA-5l7dA:
45.1		 5l7iA-5l7dA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l7d SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG

(Escherichia
coli;
Homo sapiens) 		PF01392
(Fz)
PF01534
(Frizzled)
PF07361
(Cytochrom_B562) 		5 GLN A 477
PHE A 484
GLU A 518
ASN A 521
LEU A 522
 None
 0.78A 5l7iA-5l7dA:
45.1		 5l7iA-5l7dA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG

(Desulfovibrio
vulgaris;
Homo sapiens) 		PF00258
(Flavodoxin_1)
PF01392
(Fz)
PF01534
(Frizzled) 		11 ASN A 219
TRP A 281
ASP A 384
SER A 387
TYR A 394
ARG A 400
GLN A 477
PHE A 484
GLU A 518
ASN A 521
LEU A 522
 836  A1201 (-3.1A)
None
836  A1201 (-3.1A)
836  A1201 (-4.5A)
836  A1201 (-4.6A)
836  A1201 (-3.0A)
836  A1201 (-3.6A)
836  A1201 (-3.9A)
836  A1201 (-3.5A)
836  A1201 (-3.4A)
836  A1201 (-4.6A)
 0.56A 5l7iA-5v57A:
45.8		 5l7iA-5v57A:
79.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG

(Desulfovibrio
vulgaris;
Homo sapiens) 		PF00258
(Flavodoxin_1)
PF01392
(Fz)
PF01534
(Frizzled) 		5 TRP A 281
ASP A 384
SER A 387
LEU A 522
MET A 525
 None
836  A1201 (-3.1A)
836  A1201 (-4.5A)
836  A1201 (-4.6A)
None
 1.10A 5l7iA-5v57A:
45.8		 5l7iA-5v57A:
79.05
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.
6d35 SMOOTHENED,SOLUBLE
CYTOCHROME
B562,SMOOTHENED

(Escherichia
coli;
Xenopus laevis) 		no annotation 8 ASN A 192
ASP A 357
SER A 360
TYR A 367
GLN A 450
GLU A 491
ASN A 494
MET A 498
 None
 0.98A 5l7iA-6d35A:
39.8		 5l7iA-6d35A:
12.29
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.
6d35 SMOOTHENED,SOLUBLE
CYTOCHROME
B562,SMOOTHENED

(Escherichia
coli;
Xenopus laevis) 		no annotation 8 ASN A 192
SER A 360
TYR A 367
GLN A 450
GLU A 491
ASN A 494
LEU A 495
MET A 498
 None
 0.88A 5l7iA-6d35A:
39.8		 5l7iA-6d35A:
12.29
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.
6d35 SMOOTHENED,SOLUBLE
CYTOCHROME
B562,SMOOTHENED

(Escherichia
coli;
Xenopus laevis) 		no annotation 8 ASN A 192
TRP A 254
ASP A 357
SER A 360
TYR A 367
ARG A 373
GLU A 491
ASN A 494
 None
 0.92A 5l7iA-6d35A:
39.8		 5l7iA-6d35A:
12.29
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.
6d35 SMOOTHENED,SOLUBLE
CYTOCHROME
B562,SMOOTHENED

(Escherichia
coli;
Xenopus laevis) 		no annotation 8 ASN A 192
TRP A 254
ASP A 357
SER A 360
TYR A 367
GLU A 491
ASN A 494
MET A 498
 None
 0.89A 5l7iA-6d35A:
39.8		 5l7iA-6d35A:
12.29
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.
6d35 SMOOTHENED,SOLUBLE
CYTOCHROME
B562,SMOOTHENED

(Escherichia
coli;
Xenopus laevis) 		no annotation 8 ASN A 192
TRP A 254
SER A 360
TYR A 367
ARG A 373
GLU A 491
ASN A 494
LEU A 495
 None
 0.88A 5l7iA-6d35A:
39.8		 5l7iA-6d35A:
12.29
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.
6d35 SMOOTHENED,SOLUBLE
CYTOCHROME
B562,SMOOTHENED

(Escherichia
coli;
Xenopus laevis) 		no annotation 8 ASN A 192
TRP A 254
SER A 360
TYR A 367
GLU A 491
ASN A 494
LEU A 495
MET A 498
 None
 0.81A 5l7iA-6d35A:
39.8		 5l7iA-6d35A:
12.29