SIMILAR PATTERNS OF AMINO ACIDS FOR 2ZQ0_B_ACRB811

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		12 GLU A 194
ASN A 216
SER A 217
ILE A 335
TRP A 397
PHE A 401
HIS A 437
LYS A 467
GLU A 508
GLU A 526
GLU A 532
TYR A 533
 NA  A 801 (-3.0A)
None
None
None
None
None
None
None
NA  A 801 (-3.8A)
NA  A 801 (-2.6A)
NA  A 801 (-2.8A)
None
 0.36A 2zq0B-3wfaA:
66.8		 2zq0B-3wfaA:
97.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		6 GLU A 194
ASN A 216
TRP A 397
HIS A 437
GLU A 508
GLU A 526
 NA  A 801 (-3.0A)
None
None
None
NA  A 801 (-3.8A)
NA  A 801 (-2.6A)
 1.44A 2zq0B-3wfaA:
66.8		 2zq0B-3wfaA:
97.29
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.
5gsl 778AA LONG
HYPOTHETICAL
BETA-GALACTOSIDASE

(Pyrococcus
horikoshii) 		PF02449
(Glyco_hydro_42) 		5 GLU A 181
SER A 183
PHE A 189
GLU A 349
GLU A 308
 PO4  A 802 (-3.4A)
None
None
PO4  A 802 (-3.6A)
PO4  A 802 ( 4.4A)
 1.48A 2zq0B-5gslA:
1.9		 2zq0B-5gslA:
20.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hqb ALPHA-GLUCOSIDASE

(Pseudoalteromonas
sp. K8) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		6 GLU A 173
ASN A 170
TRP A 336
HIS A 375
GLU A 456
GLU A 474
 GLC  A 712 ( 2.7A)
GLC  A 712 (-3.2A)
None
GLC  A 711 (-4.2A)
CA  A 701 ( 3.4A)
CA  A 701 ( 2.9A)
 1.41A 2zq0B-5hqbA:
57.0		 2zq0B-5hqbA:
39.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hqb ALPHA-GLUCOSIDASE

(Pseudoalteromonas
sp. K8) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		8 GLU A 173
ASN A 170
TRP A 336
PHE A 341
HIS A 375
LYS A 405
GLU A 456
GLU A 474
 GLC  A 712 ( 2.7A)
GLC  A 712 (-3.2A)
None
GOL  A 706 (-3.5A)
GLC  A 711 (-4.2A)
GLC  A 711 (-2.8A)
CA  A 701 ( 3.4A)
CA  A 701 ( 2.9A)
 1.01A 2zq0B-5hqbA:
57.0		 2zq0B-5hqbA:
39.61
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.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 5 ASN A1277
SER A1276
ILE A1210
PHE A 582
GLU A 568
 None
 1.33A 2zq0B-5ngyA:
4.0		 2zq0B-5ngyA:
20.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		9 TRP A 331
TRP A 341
GLU A 391
TRP A 400
GLU A 439
VAL A 471
HIS A 507
PHE A 536
GLY A 537
 None
 0.18A 2zq0B-3wfaA:
66.8		 2zq0B-3wfaA:
97.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		9 TRP A 331
TRP A 341
GLU A 391
TRP A 400
GLU A 439
VAL A 471
HIS A 507
PHE A 536
GLY A 538
 None
 0.85A 2zq0B-3wfaA:
66.8		 2zq0B-3wfaA:
97.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hqb ALPHA-GLUCOSIDASE

(Pseudoalteromonas
sp. K8) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		7 TRP A 289
TRP A 299
GLU A 330
TRP A 340
GLU A 377
VAL A 409
HIS A 455
 GLC  A 711 (-4.1A)
GLC  A 711 (-4.5A)
GLC  A 711 (-2.7A)
GLC  A 711 (-4.8A)
GLC  A 711 (-3.7A)
GLC  A 712 (-4.7A)
GLC  A 711 (-3.7A)
 0.49A 2zq0B-5hqbA:
57.0		 2zq0B-5hqbA:
39.61