SIMILAR PATTERNS OF AMINO ACIDS FOR 3VYW_B_SAMB401_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.
1biy LACTOFERRIN

(Bubalus bubalis) 		PF00405
(Transferrin) 		4 GLU A 413
ASP A 643
ASP A 395
GLU A 550
 None
None
FE  A 691 (-2.5A)
None
 1.36A 3vywB-1biyA:
1.6		 3vywB-1biyA:
18.01
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.
1k25 LOW-AFFINITY
PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		4 GLU A 316
ASP A 278
ASP A 313
GLU A 274
 None
 1.48A 3vywB-1k25A:
0.0		 3vywB-1k25A:
19.10
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		4 GLU A 216
ASP A 251
ASP A 274
GLU A 282
 None
None
SO4  A 483 (-4.5A)
None
 1.00A 3vywB-1k7hA:
0.0		 3vywB-1k7hA:
20.84
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.
1tez DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE

(Synechococcus
elongatus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 GLU A 371
ASP A 382
ASP A 302
GLU A 103
 None
None
None
HDF  A5486 (-3.7A)
 1.21A 3vywB-1tezA:
1.1		 3vywB-1tezA:
20.66
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.
1w93 ACETYL-COENZYME A
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLU A 431
ASP A 433
ASP A 306
GLU A 435
 None
 1.47A 3vywB-1w93A:
1.6		 3vywB-1w93A:
20.89
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.
3c8z CYSTEINYL-TRNA
SYNTHETASE

(Mycolicibacterium
smegmatis) 		PF01406
(tRNA-synt_1e) 		4 GLU A 213
ASP A  86
ASP A 159
GLU A 230
 None
 1.40A 3vywB-3c8zA:
2.2		 3vywB-3c8zA:
20.10
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.
3nuu PKB-LIKE

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLU A 252
ASP A 320
ASP A 264
GLU A 329
 None
 1.32A 3vywB-3nuuA:
0.0		 3vywB-3nuuA:
23.12
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.
3pzd MYOSIN-X

(Homo sapiens) 		PF00373
(FERM_M)
PF00784
(MyTH4)
PF00788
(RA) 		4 GLU A1746
ASP A1763
ASP A2028
GLU A1683
 None
 1.26A 3vywB-3pzdA:
undetectable		 3vywB-3pzdA:
21.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		4 GLU A 133
ASP A 174
ASP A 193
GLU A 202
 SAM  A 501 (-2.3A)
SAM  A 501 (-3.4A)
SAM  A 501 (-3.8A)
SAM  A 501 (-4.2A)
 0.38A 3vywB-3vywA:
49.9		 3vywB-3vywA:
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.
4n2p PROTEIN ARCHEASE

(Pyrococcus
horikoshii) 		PF01951
(Archease) 		4 GLU A 112
ASP A 107
ASP A  36
GLU A 104
 None
 1.49A 3vywB-4n2pA:
undetectable		 3vywB-4n2pA:
22.40
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.
4r7p UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE

(Homo sapiens) 		PF01704
(UDPGP) 		4 GLU A 299
ASP A 349
ASP A  74
GLU A 351
 None
 1.20A 3vywB-4r7pA:
1.7		 3vywB-4r7pA:
20.90
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.
5mkf POLYCYSTIN-2

(Homo sapiens) 		PF08016
(PKD_channel) 		4 GLU A 284
ASP A 278
ASP A 289
GLU A 266
 None
 1.29A 3vywB-5mkfA:
undetectable		 3vywB-5mkfA:
15.26
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.
5wql TAIL-SPECIFIC
PROTEASE

(Escherichia
coli) 		no annotation 4 GLU C 670
ASP C 665
ASP C 563
GLU C 570
 None
 1.41A 3vywB-5wqlC:
undetectable		 3vywB-5wqlC:
19.08
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.
5z9x SMALL RNA DEGRADING
NUCLEASE 1

(Arabidopsis
thaliana) 		no annotation 4 GLU A 146
ASP A 195
ASP A 187
GLU A 194
 MG  A 503 (-3.1A)
None
None
None
 1.37A 3vywB-5z9xA:
undetectable		 3vywB-5z9xA:
undetectable