SIMILAR PATTERNS OF AMINO ACIDS FOR 5DGR_A_GCSA602

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.
1ut9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		5 ASP A 383
ALA A 384
ASP A 386
TYR A 390
GLU A 795
 None
 0.68A 5dgrA-1ut9A:
28.1		 5dgrA-1ut9A:
25.49
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.
2vmf BETA-MANNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2) 		5 TYR A 537
TRP A 656
TRP A 198
ASN A 461
GLU A 555
 MVL  A1865 (-4.7A)
MVL  A1865 (-3.7A)
MVL  A1865 (-4.3A)
MVL  A1865 (-2.9A)
MVL  A1865 (-2.6A)
 1.33A 5dgrA-2vmfA:
3.2		 5dgrA-2vmfA:
21.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h7l ENDOGLUCANASE

(Vibrio
parahaemolyticus) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		12 ASP A 140
ALA A 141
ASP A 144
TYR A 148
HIS A 151
TRP A 220
TRP A 438
GLN A 440
ASN A 516
TRP A 543
GLU A 547
TRP A 549
 None
GOL  A 586 ( 3.9A)
None
None
None
None
None
GOL  A 586 (-3.4A)
GOL  A 586 (-3.0A)
None
GOL  A 586 (-3.6A)
GOL  A 586 (-4.0A)
 0.21A 5dgrA-3h7lA:
61.1		 5dgrA-3h7lA:
61.18
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.
3x17 ENDOGLUCANASE

(uncultured
bacterium) 		no annotation 5 ASP B 194
ALA B 195
ASP B 197
TYR B 201
GLU B 558
 None
 0.68A 5dgrA-3x17B:
30.3		 5dgrA-3x17B:
25.30
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.
4cj0 ENDOGLUCANASE D

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		5 ASP A 198
ALA A 199
ASP A 201
TYR A 205
GLU A 555
 None
None
GOL  A1582 (-4.4A)
None
GOL  A1582 (-3.0A)
 0.70A 5dgrA-4cj0A:
29.5		 5dgrA-4cj0A:
22.22
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.
4yb9 SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 5

(Bos taurus) 		PF00083
(Sugar_tr) 		5 ALA D 295
TYR D 383
HIS D 387
GLN D 289
ASN D 423
 None
 1.25A 5dgrA-4yb9D:
0.2		 5dgrA-4yb9D:
21.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dgq PUTATIVE
ENDOGLUCANASE-RELATE
D PROTEIN

(Photobacterium
profundum) 		PF00759
(Glyco_hydro_9) 		12 ASP A 139
ALA A 140
ASP A 143
TYR A 147
HIS A 150
TRP A 219
TRP A 446
GLN A 448
ASN A 524
TRP A 551
GLU A 555
TRP A 557
 None
 0.14A 5dgrA-5dgqA:
72.8		 5dgrA-5dgqA:
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.
5u2o J30 CCH

(Thermobacillus
composti) 		no annotation 5 ASP A 144
ALA A 145
ASP A 147
TYR A 151
GLU A 523
 None
None
None
None
GOL  A 604 ( 4.8A)
 0.67A 5dgrA-5u2oA:
29.1		 5dgrA-5u2oA:
10.85
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.
6gdt -

(-) 		no annotation 12 ASP A 140
ALA A 141
ASP A 144
TYR A 148
HIS A 151
TRP A 220
TRP A 438
GLN A 440
ASN A 515
TRP A 542
GLU A 546
TRP A 548
 None
 0.31A 5dgrA-6gdtA:
66.8		 5dgrA-6gdtA:
undetectable