SIMILAR PATTERNS OF AMINO ACIDS FOR 5DGR_B_GCSB602_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.
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 5dgrB-2vmfA:
0.9		 5dgrB-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) 		11 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
 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 5dgrB-3h7lA:
61.2		 5dgrB-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.
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 5dgrB-4yb9D:
0.6		 5dgrB-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) 		11 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
 0.15A 5dgrB-5dgqA:
66.7		 5dgrB-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.
6gdt -

(-) 		no annotation 11 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
 0.27A 5dgrB-6gdtA:
61.4		 5dgrB-6gdtA:
undetectable