SIMILAR PATTERNS OF AMINO ACIDS FOR 3WEM_A_ACRA1001_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 TRP A 327
TRP A 435
TRP A 470
TRP A 568
 TRS  A6001 ( 3.8A)
TRS  A6001 ( 4.6A)
None
None
 0.38A 3wemA-3lppA:
51.5		 3wemA-3lppA:
35.98
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.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 TRP A 169
TRP A 271
TRP A 305
TRP A 417
 ACR  A 664 (-3.7A)
ACR  A 664 (-4.6A)
None
ACR  A 664 (-4.6A)
 1.06A 3wemA-3pocA:
35.4		 3wemA-3pocA:
26.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		5 ILE A 233
TRP A 329
TRP A 432
TRP A 467
TRP A 565
 GLC  A1002 (-3.9A)
ACR  A1001 (-4.1A)
ACR  A1001 ( 4.6A)
None
ACR  A1001 (-4.8A)
 0.29A 3wemA-3welA:
62.2		 3wemA-3welA:
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.
3zm8 GH26
ENDO-BETA-1,4-MANNAN
ASE

(Podospora
anserina) 		PF02156
(Glyco_hydro_26)
PF16990
(CBM_35) 		4 ILE A 273
TRP A 295
TRP A 308
TRP A 307
 None
 1.48A 3wemA-3zm8A:
0.4		 3wemA-3zm8A:
18.10
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		4 TRP A 415
TRP A 517
TRP A 554
TRP A 630
 None
TRS  A1001 ( 4.9A)
TRS  A1001 (-4.9A)
None
 0.51A 3wemA-5dkxA:
42.7		 3wemA-5dkxA:
27.94
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 TRP A 423
TRP A 525
TRP A 562
TRP A 637
 5GF  A1021 (-3.1A)
5GF  A1021 (-3.7A)
5GF  A1021 (-4.6A)
5GF  A1021 ( 4.6A)
 0.54A 3wemA-5hjrA:
40.9		 3wemA-5hjrA:
29.87
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.
5jp9 CMP
5-HYDROXYMETHYLASE

(Streptomyces
rimofaciens) 		PF00303
(Thymidylat_synt) 		4 ILE A 205
TRP A 285
TRP A 251
TRP A 119
 None
 1.40A 3wemA-5jp9A:
0.0		 3wemA-5jp9A:
15.85
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.
5jwy PHOSPHATIDYLGLYCEROP
HOSPHATASE B

(Escherichia
coli) 		PF01569
(PAP2) 		4 ILE A 116
TRP A  29
TRP A 151
TRP A 208
 None
 1.34A 3wemA-5jwyA:
0.3		 3wemA-5jwyA:
15.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 4 TRP A 376
TRP A 481
TRP A 516
TRP A 613
 ACR  A1015 ( 4.6A)
ACR  A1015 ( 4.6A)
None
ACR  A1015 (-4.8A)
 0.86A 3wemA-5nn8A:
47.3		 3wemA-5nn8A:
37.15