SIMILAR PATTERNS OF AMINO ACIDS FOR 3RUK_C_AERC601_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.
1a04 NITRATE/NITRITE
RESPONSE REGULATOR
PROTEIN NARL

(Escherichia
coli) 		PF00072
(Response_reg)
PF00196
(GerE) 		5 ALA A   7
ILE A 176
ARG A 203
ASP A  54
GLU A 127
 None
 1.44A 3rukC-1a04A:
0.0		 3rukC-1a04A:
18.42
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.
1vff BETA-GLUCOSIDASE

(Pyrococcus
horikoshii) 		PF00232
(Glyco_hydro_1) 		5 ALA A  66
ASN A 265
ILE A 322
GLU A 324
THR A  15
 None
 1.09A 3rukC-1vffA:
0.0		 3rukC-1vffA:
22.88
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.
1z7z INTERCELLULAR
ADHESION MOLECULE-1

(Homo sapiens) 		PF03921
(ICAM_N) 		5 ALA I 245
PHE I 243
ILE I 266
GLU I 273
THR I 274
 None
 1.46A 3rukC-1z7zI:
0.0		 3rukC-1z7zI:
22.08
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.
2qty POLY(ADP-RIBOSE)
GLYCOHYDROLASE ARH3

(Mus musculus) 		PF03747
(ADP_ribosyl_GH) 		5 TYR A 172
ASN A 173
ILE A 176
ARG A 159
GLU A 207
 None
 0.95A 3rukC-2qtyA:
0.0		 3rukC-2qtyA:
21.95
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.
3j26 CAPSID PROTEIN V20

(Mimivirus-dependent
virus Sputnik) 		no annotation 5 ALA A 100
PHE A 101
TYR A 385
ASN A 386
ARG A 132
 None
 1.44A 3rukC-3j26A:
0.0		 3rukC-3j26A:
23.38
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.
3ktc XYLOSE ISOMERASE

(Pectobacterium
atrosepticum) 		PF01261
(AP_endonuc_2) 		5 ALA A  92
PHE A  93
ILE A 165
ASP A 130
GLU A 166
 None
None
None
None
FE  A 334 (-2.6A)
 1.20A 3rukC-3ktcA:
undetectable		 3rukC-3ktcA:
21.83
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.
3rpd METHIONINE SYNTHASE
(B12-INDEPENDENT)

(Shewanella sp.
W3-18-1) 		PF01717
(Meth_synt_2) 		5 ALA A 140
TYR A 245
ILE A 260
ASP A 188
THR A 320
 None
 1.37A 3rukC-3rpdA:
0.6		 3rukC-3rpdA:
22.33
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.
4fdj N-ACETYLGALACTOSAMIN
E-6-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		5 ALA A 203
TYR A 170
ASN A 177
ILE A 178
GLU A 192
 None
 1.26A 3rukC-4fdjA:
undetectable		 3rukC-4fdjA:
22.86
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.
4lut ALANINE RACEMASE

(Clostridioides
difficile) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 TYR A 356
ASN A 355
ILE A 354
ASP A 236
GLU A 345
 DCS  A 401 (-4.0A)
None
None
None
None
 0.94A 3rukC-4lutA:
undetectable		 3rukC-4lutA:
21.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		9 ALA A 113
PHE A 114
TYR A 201
ASN A 202
ILE A 205
ARG A 239
ASP A 298
GLU A 305
THR A 306
 HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
None
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.4A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 4.9A)
HEM  A 600 ( 3.2A)
 0.43A 3rukC-4nkyA:
59.1		 3rukC-4nkyA:
99.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		5 ALA A 126
PHE A 127
ILE A 218
ARG A 252
ASP A 124
 HEM  A 600 (-3.6A)
None
AER  A 601 ( 4.3A)
None
None
 1.31A 3rukC-4r1zA:
50.6		 3rukC-4r1zA:
46.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		8 ALA A 126
PHE A 127
TYR A 214
ILE A 218
ARG A 252
ASP A 309
GLU A 316
THR A 317
 HEM  A 600 (-3.6A)
None
AER  A 601 (-4.7A)
AER  A 601 ( 4.3A)
None
AER  A 601 ( 4.1A)
None
HEM  A 600 ( 3.3A)
 0.73A 3rukC-4r1zA:
50.6		 3rukC-4r1zA:
46.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		6 ALA A 120
PHE A 121
ASN A 209
ILE A 212
ARG A 246
THR A 306
 AER  A 602 (-3.7A)
None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
None
HEM  A 601 ( 3.3A)
 0.84A 3rukC-4r20A:
49.2		 3rukC-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		6 ALA A 120
PHE A 121
ILE A 212
ARG A 246
GLU A 305
THR A 306
 AER  A 602 (-3.7A)
None
AER  A 602 (-3.2A)
None
None
HEM  A 601 ( 3.3A)
 0.94A 3rukC-4r20A:
49.2		 3rukC-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		5 ALA A 120
PHE A 121
ILE A 216
GLU A 305
THR A 306
 AER  A 602 (-3.7A)
None
None
None
HEM  A 601 ( 3.3A)
 1.05A 3rukC-4r20A:
49.2		 3rukC-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		5 TYR A 208
ASN A 209
ILE A 212
ARG A 246
THR A 306
 None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
None
HEM  A 601 ( 3.3A)
 0.67A 3rukC-4r20A:
49.2		 3rukC-4r20A:
43.90
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.
5iw7 RIBOSOME BIOGENESIS
PROTEIN
TSR1,RIBOSOME
BIOGENESIS PROTEIN
TSR1

(Saccharomyces
cerevisiae) 		PF04950
(RIBIOP_C)
PF08142
(AARP2CN) 		5 ALA A 757
PHE A 755
TYR A 374
ILE A 733
THR A 737
 None
 1.40A 3rukC-5iw7A:
undetectable		 3rukC-5iw7A:
21.39
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 5 ALA B 181
PHE B 178
ASN B 323
ARG B 211
GLU B 213
 None
 1.32A 3rukC-5nd1B:
0.0		 3rukC-5nd1B:
10.43
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.
5ns8 -

(-) 		no annotation 5 ALA A  73
ASN A 289
ILE A 347
GLU A 349
THR A  14
 None
NOJ  A 506 ( 4.6A)
None
NOJ  A 506 (-2.6A)
None
 1.15A 3rukC-5ns8A:
undetectable		 3rukC-5ns8A:
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.
5urb METHIONINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 ALA A 164
TYR A 235
ARG A 231
ASP A 135
THR A 173
 None
None
NO3  A 608 (-3.8A)
NO3  A 608 (-4.8A)
NO3  A 609 ( 4.4A)
 1.07A 3rukC-5urbA:
undetectable		 3rukC-5urbA:
21.48
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.
5wka BETA-GLUCOSIDASE

(metagenome) 		no annotation 5 ALA A  71
ASN A 290
ILE A 367
GLU A 369
THR A  12
 None
None
None
GOL  A 501 (-3.4A)
None
 1.18A 3rukC-5wkaA:
undetectable		 3rukC-5wkaA:
9.20
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 6 ALA A 126
PHE A 127
TYR A 214
ILE A 218
GLU A 316
THR A 317
 HEM  A 601 (-3.8A)
None
None
AER  A 602 (-3.9A)
None
HEM  A 601 ( 3.7A)
 0.87A 3rukC-6b82A:
48.6		 3rukC-6b82A:
9.72
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 5 TYR A 214
ILE A 218
ARG A 252
GLU A 316
THR A 317
 None
AER  A 602 (-3.9A)
None
None
HEM  A 601 ( 3.7A)
 0.98A 3rukC-6b82A:
48.6		 3rukC-6b82A:
9.72