SIMILAR PATTERNS OF AMINO ACIDS FOR 3TOP_A_ACRA1_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
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.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ILE A 703
TRP A 627
TRP A 563
THR A  46
 None
 1.36A 3topA-2bucA:
undetectable		 3topA-2bucA:
22.05
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.
2e3z BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF00232
(Glyco_hydro_1) 		4 ILE A  21
TRP A 423
TRP A 124
THR A 167
 None
 1.24A 3topA-2e3zA:
2.3		 3topA-2e3zA:
19.98
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 ILE A 213
TRP A 318
TRP A 413
THR A 418
 None
 0.28A 3topA-2g3nA:
34.9		 3topA-2g3nA:
26.29
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.
2g5t DIPEPTIDYL PEPTIDASE
4

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ILE A 703
TRP A 627
TRP A 563
THR A  46
 None
 1.40A 3topA-2g5tA:
0.1		 3topA-2g5tA:
21.41
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.
2qy1 PECTATE LYASE II

(Xanthomonas
campestris) 		PF00544
(Pec_lyase_C) 		4 ILE A 264
TRP A 315
TRP A 300
THR A 250
 None
 1.34A 3topA-2qy1A:
undetectable		 3topA-2qy1A:
15.96
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.
2xd3 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		4 ILE A 256
TRP A 242
TRP A 238
THR A 292
 None
 1.28A 3topA-2xd3A:
undetectable		 3topA-2xd3A:
17.53
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.
3aiv BETA-GLUCOSIDASE

(Secale cereale) 		PF00232
(Glyco_hydro_1) 		4 ILE A  44
TRP A 463
TRP A 146
THR A 188
 None
 1.26A 3topA-3aivA:
10.3		 3topA-3aivA:
21.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 ILE A 328
TRP A 441
TRP A 539
THR A 544
 3CU  A1001 ( 3.9A)
3CU  A1001 (-4.9A)
3CU  A1001 (-4.6A)
None
 0.21A 3topA-3cttA:
48.6		 3topA-3cttA:
43.12
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 ILE A 356
TRP A 470
TRP A 568
THR A 573
 TRS  A6001 ( 4.0A)
None
None
None
 0.22A 3topA-3lppA:
48.7		 3topA-3lppA:
41.48
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 470
LYS A 509
TRP A 568
THR A 573
 None
 1.14A 3topA-3lppA:
48.7		 3topA-3lppA:
41.48
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 ILE A 444
TRP A 554
TRP A 630
THR A 635
 TRS  A1001 ( 4.1A)
TRS  A1001 (-4.9A)
None
None
 0.37A 3topA-5dkxA:
37.4		 3topA-5dkxA:
27.47
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.
5gnx BETA-GLUCOSIDASE

(metagenome) 		PF00232
(Glyco_hydro_1) 		4 ILE A  26
TRP A 413
TRP A 127
THR A 168
 None
BGC  A 502 (-4.1A)
None
None
 1.20A 3topA-5gnxA:
3.1		 3topA-5gnxA:
20.30
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 ILE A 452
TRP A 562
TRP A 637
THR A 642
 5GF  A1021 (-3.6A)
5GF  A1021 (-4.6A)
5GF  A1021 ( 4.6A)
None
 0.38A 3topA-5hjrA:
41.9		 3topA-5hjrA:
27.35
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.
5tu0 LMO2125 PROTEIN

(Listeria
monocytogenes) 		PF13416
(SBP_bac_8) 		4 ILE A 253
TRP A 239
TRP A 234
THR A 289
 None
None
PGE  A 503 (-3.8A)
None
 1.38A 3topA-5tu0A:
undetectable		 3topA-5tu0A:
19.35