SIMILAR PATTERNS OF AMINO ACIDS FOR 3M7R_A_VDXA425_2

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.
1cq3 VIRAL CHEMOKINE
INHIBITOR

(Cowpox virus) 		PF02250
(Orthopox_35kD) 		5 PHE A  76
ILE A  23
LEU A 214
TYR A 199
VAL A 167
 None
 1.37A 3m7rA-1cq3A:
undetectable		 3m7rA-1cq3A:
23.90
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.
1i51 CASPASE-7 SUBUNIT
P11
CASPASE-7 SUBUNIT
P20

(Homo sapiens) 		PF00656
(Peptidase_C14) 		5 LEU B 295
ARG B 264
TYR B 300
LEU A 104
VAL B 291
 None
 1.26A 3m7rA-1i51B:
0.4		 3m7rA-1i51B:
19.69
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.
1iv8 MALTOOLIGOSYL
TREHALOSE SYNTHASE

(Sulfolobus
acidocaldarius) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		5 PHE A 667
LEU A 713
ILE A 575
ARG A 643
TYR A 634
 None
None
None
None
MLZ  A 638 ( 3.6A)
 1.44A 3m7rA-1iv8A:
0.0		 3m7rA-1iv8A:
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.
1k86 CASPASE-7

(Homo sapiens) 		PF00656
(Peptidase_C14) 		5 LEU A 295
ARG A 264
TYR A 300
LEU A 104
VAL A 291
 None
 1.24A 3m7rA-1k86A:
0.0		 3m7rA-1k86A:
20.41
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.
2dfs MYOSIN-5A

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ) 		5 PHE A 340
LEU A 333
LEU A 580
TYR A 408
VAL A 249
 None
 1.47A 3m7rA-2dfsA:
0.0		 3m7rA-2dfsA:
13.35
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.
2hnh DNA POLYMERASE III
ALPHA SUBUNIT

(Escherichia
coli) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 PHE A 250
LEU A 194
LEU A  87
TYR A 158
VAL A 139
 None
 1.50A 3m7rA-2hnhA:
0.0		 3m7rA-2hnhA:
14.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2o4j VITAMIN D3 RECEPTOR

(Rattus
norvegicus) 		PF00104
(Hormone_recep) 		9 PHE A 150
LEU A 223
ILE A 267
ARG A 270
TRP A 282
TYR A 291
LEU A 309
TYR A 397
VAL A 414
 None
None
VD4  A 500 ( 4.7A)
VD4  A 500 ( 4.0A)
VD4  A 500 ( 3.7A)
None
None
None
None
 0.29A 3m7rA-2o4jA:
38.9		 3m7rA-2o4jA:
88.72
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.
2qgq PROTEIN TM_1862

(Thermotoga
maritima) 		PF04055
(Radical_SAM) 		5 ILE A 144
ARG A 167
TYR A 202
LEU A 164
VAL A 225
 None
 1.50A 3m7rA-2qgqA:
0.0		 3m7rA-2qgqA:
21.00
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.
3doa FIBRINOGEN BINDING
PROTEIN

(Staphylococcus
aureus) 		PF05833
(FbpA) 		5 LEU A  60
ILE A  26
ARG A  79
LEU A 128
VAL A  38
 None
 1.29A 3m7rA-3doaA:
undetectable		 3m7rA-3doaA:
24.04
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.
3hje 704AA LONG
HYPOTHETICAL
GLYCOSYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		5 PHE A 655
LEU A 698
ILE A 572
ARG A 631
TYR A 622
 None
 1.45A 3m7rA-3hjeA:
undetectable		 3m7rA-3hjeA:
16.55
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.
3m4a PUTATIVE TYPE I
TOPOISOMERASE

(Deinococcus
radiodurans) 		PF01028
(Topoisom_I) 		5 LEU A 251
ARG A 239
TRP A 241
LEU A  95
VAL A 271
 None
 1.45A 3m7rA-3m4aA:
undetectable		 3m7rA-3m4aA:
21.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wgp VITAMIN D3 RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 PHE A 150
LEU A 227
ILE A 271
ARG A 274
TRP A 286
TYR A 295
LEU A 313
TYR A 401
VAL A 418
 None
None
ED9  A 501 (-4.5A)
ED9  A 501 (-2.9A)
ED9  A 501 (-3.5A)
None
None
None
None
 0.17A 3m7rA-3wgpA:
42.6		 3m7rA-3wgpA:
99.60
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.
4g1g MATRIX PROTEIN

(Avian
avulavirus 1) 		PF00661
(Matrix) 		5 PHE A 294
ILE A 350
TYR A 302
LEU A 322
VAL A 345
 None
 1.49A 3m7rA-4g1gA:
undetectable		 3m7rA-4g1gA:
21.69
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.
5e2f BETA-LACTAMASE YBXI

(Bacillus
subtilis) 		PF00905
(Transpeptidase) 		5 PHE A  43
LEU A 264
ILE A  51
LEU A 179
VAL A  34
 None
 1.35A 3m7rA-5e2fA:
undetectable		 3m7rA-5e2fA:
21.11
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.
5h11 UNCHARACTERIZED
PROTEIN

(Danio rerio) 		PF07393
(Sec10) 		5 LEU A 613
ARG A 589
LEU A 603
TYR A 638
VAL A 579
 None
 1.30A 3m7rA-5h11A:
undetectable		 3m7rA-5h11A:
21.02
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.
5mq9 UNCHARACTERIZED
PROTEIN YACP

(Bacillus
subtilis) 		PF05991
(NYN_YacP) 		5 PHE A  73
ILE A  34
TYR A   9
TYR A  40
VAL A  48
 None
 1.42A 3m7rA-5mq9A:
undetectable		 3m7rA-5mq9A:
22.78
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		5 PHE C1082
ILE C1138
ARG C1090
TYR C1107
LEU C1153
 None
 1.47A 3m7rA-5y3rC:
undetectable		 3m7rA-5y3rC:
4.74
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.
6fob VITAMIN D3 RECEPTOR
A

(Danio rerio) 		no annotation 9 PHE A 182
LEU A 255
ILE A 299
ARG A 302
TRP A 314
TYR A 323
LEU A 341
TYR A 427
VAL A 444
 None
None
DZW  A 501 (-4.7A)
DZW  A 501 (-3.8A)
DZW  A 501 (-3.5A)
DZW  A 501 (-3.6A)
None
DZW  A 501 (-4.9A)
None
 0.36A 3m7rA-6fobA:
37.4		 3m7rA-6fobA:
22.54
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.
6fob VITAMIN D3 RECEPTOR
A

(Danio rerio) 		no annotation 5 PHE A 182
TYR A 323
LEU A 338
TYR A 427
VAL A 444
 None
DZW  A 501 (-3.6A)
None
DZW  A 501 (-4.9A)
None
 1.48A 3m7rA-6fobA:
37.4		 3m7rA-6fobA:
22.54