SIMILAR PATTERNS OF AMINO ACIDS FOR 4EVY_B_TOYB201_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.
1hcu ALPHA-1,2-MANNOSIDAS
E

(Trichoderma
reesei) 		PF01532
(Glyco_hydro_47) 		5 GLU A 396
ARG A 104
GLU A 100
GLU A 184
GLY A 107
 CA  A1495 ( 4.9A)
None
None
None
None
 1.47A 4evyA-1hcuA:
0.0
4evyB-1hcuA:
undetectable		 4evyA-1hcuA:
15.69
4evyB-1hcuA:
15.69
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.
1obb ALPHA-GLUCOSIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 ARG A 164
ASP A 385
GLU A 427
GLU A 157
GLY A 158
 None
 1.21A 4evyA-1obbA:
0.3
4evyB-1obbA:
0.0		 4evyA-1obbA:
15.09
4evyB-1obbA:
15.09
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.
1pxt PEROXISOMAL
3-KETOACYL-COA
THIOLASE

(Saccharomyces
cerevisiae) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ASN A 365
GLU A 344
ASP A 242
GLU A 227
GLY A 381
 None
 1.33A 4evyA-1pxtA:
undetectable
4evyB-1pxtA:
0.0		 4evyA-1pxtA:
17.44
4evyB-1pxtA:
17.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s5k AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE

(Salmonella
enterica) 		PF00583
(Acetyltransf_1) 		5 ARG A  18
TRP A  22
GLU A  79
GLY A  80
ASP A 115
 None
None
None
COA  A 600 ( 3.8A)
None
 0.76A 4evyA-1s5kA:
23.3
4evyB-1s5kA:
22.8		 4evyA-1s5kA:
43.79
4evyB-1s5kA:
43.79
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.
2c7z 3-KETOACYL-COA
THIOLASE 2

(Arabidopsis
thaliana) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ASN A 383
GLU A 362
ASP A 261
GLU A 237
GLY A 399
 None
 1.48A 4evyA-2c7zA:
0.0
4evyB-2c7zA:
0.2		 4evyA-2c7zA:
18.36
4evyB-2c7zA:
18.36
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.
2iik 3-KETOACYL-COA
THIOLASE,
PEROXISOMAL

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ASN A 368
GLU A 347
ASP A 246
GLU A 223
GLY A 384
 None
 1.35A 4evyA-2iikA:
0.0
4evyB-2iikA:
0.0		 4evyA-2iikA:
21.33
4evyB-2iikA:
21.33
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.
2wua ACETOACETYL COA
THIOLASE

(Helianthus
annuus) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ASN A 381
GLU A 360
ASP A 259
GLU A 235
GLY A 397
 None
 1.44A 4evyA-2wuaA:
0.0
4evyB-2wuaA:
0.0		 4evyA-2wuaA:
17.98
4evyB-2wuaA:
17.98
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.
4dd5 ACETYL-COA
ACETYLTRANSFERASE

(Clostridioides
difficile) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ASN A 343
GLU A 322
ASP A 221
GLU A 203
GLY A 359
 None
 1.39A 4evyA-4dd5A:
0.0
4evyB-4dd5A:
0.0		 4evyA-4dd5A:
18.25
4evyB-4dd5A:
18.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e8o AAC(6')-IH PROTEIN

(Acinetobacter
baumannii) 		PF00583
(Acetyltransf_1) 		6 ARG A  18
TRP A  22
ASP A  24
GLU A  79
GLY A  80
ASP A 115
 None
None
None
None
None
CL  A 201 ( 3.9A)
 0.55A 4evyA-4e8oA:
25.8
4evyB-4e8oA:
24.6		 4evyA-4e8oA:
74.25
4evyB-4e8oA:
74.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e8o AAC(6')-IH PROTEIN

(Acinetobacter
baumannii) 		PF00583
(Acetyltransf_1) 		6 ARG A  18
TRP A  22
GLU A  32
GLU A  79
GLY A  80
ASP A 115
 None
None
None
None
None
CL  A 201 ( 3.9A)
 0.41A 4evyA-4e8oA:
25.8
4evyB-4e8oA:
24.6		 4evyA-4e8oA:
74.25
4evyB-4e8oA:
74.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4f0y AMINOGLYCOSIDE
N(6')-ACETYLTRANSFER
ASE TYPE 1

(Acinetobacter
haemolyticus) 		PF00583
(Acetyltransf_1) 		6 ARG A  18
TRP A  22
ASP A  24
GLU A  78
GLY A  79
ASP A 114
 GOL  A 203 ( 4.4A)
GOL  A 203 (-3.4A)
None
GOL  A 203 (-3.8A)
None
MG  A 201 (-3.1A)
 0.62A 4evyA-4f0yA:
26.4
4evyB-4f0yA:
25.3		 4evyA-4f0yA:
100.00
4evyB-4f0yA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4f0y AMINOGLYCOSIDE
N(6')-ACETYLTRANSFER
ASE TYPE 1

(Acinetobacter
haemolyticus) 		PF00583
(Acetyltransf_1) 		6 ARG A  18
TRP A  22
GLU A  32
GLU A  78
GLY A  79
ASP A 114
 GOL  A 203 ( 4.4A)
GOL  A 203 (-3.4A)
GOL  A 203 (-3.9A)
GOL  A 203 (-3.8A)
None
MG  A 201 (-3.1A)
 0.62A 4evyA-4f0yA:
26.4
4evyB-4f0yA:
25.3		 4evyA-4f0yA:
100.00
4evyB-4f0yA:
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.
4kp2 HOMOACONITASE LARGE
SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00330
(Aconitase) 		5 ASN A  52
ARG A  84
ASP A  48
GLY A  86
ASP A  54
 None
 1.35A 4evyA-4kp2A:
undetectable
4evyB-4kp2A:
undetectable		 4evyA-4kp2A:
20.22
4evyB-4kp2A:
20.22
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.
4o99 ACETYL-COA
ACETYLTRANSFERASE

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ASN A 339
GLU A 318
ASP A 217
GLU A 198
GLY A 355
 None
 1.42A 4evyA-4o99A:
undetectable
4evyB-4o99A:
undetectable		 4evyA-4o99A:
17.88
4evyB-4o99A:
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.
4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ASN A 337
GLU A 316
ASP A 217
GLU A 192
GLY A 353
 None
 1.45A 4evyA-4ubtA:
undetectable
4evyB-4ubtA:
undetectable		 4evyA-4ubtA:
18.18
4evyB-4ubtA:
18.18
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.
4wyr ACETYL-COA
ACETYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ASN A 338
GLU A 317
ASP A 216
GLU A 198
GLY A 354
 None
 1.47A 4evyA-4wyrA:
undetectable
4evyB-4wyrA:
undetectable		 4evyA-4wyrA:
19.50
4evyB-4wyrA:
19.50
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.
5f38 ACETYL-COA
ACETYLTRANSFERASE

(Escherichia
coli) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ASN B 339
GLU B 318
ASP B 217
GLU B 199
GLY B 355
 None
None
None
None
CSX  B  88 ( 4.3A)
 1.47A 4evyA-5f38B:
undetectable
4evyB-5f38B:
undetectable		 4evyA-5f38B:
18.73
4evyB-5f38B:
18.73
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.
5xyj ACETYL-COA
ACETYLTRANSFERASE

(Saccharomyces
cerevisiae) 		no annotation 5 ASN B 344
GLU B 323
ASP B 221
GLU B 201
GLY B 360
 None
 1.46A 4evyA-5xyjB:
undetectable
4evyB-5xyjB:
undetectable		 4evyA-5xyjB:
23.75
4evyB-5xyjB:
23.75
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.
6arr ACETYL-COA
ACETYLTRANSFERASE

(Aspergillus
fumigatus) 		no annotation 5 ASN A 344
GLU A 323
ASP A 222
GLU A 202
GLY A 360
 None
 1.47A 4evyA-6arrA:
undetectable
4evyB-6arrA:
undetectable		 4evyA-6arrA:
22.86
4evyB-6arrA:
22.86