SIMILAR PATTERNS OF AMINO ACIDS FOR 2QMJ_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
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.
1uwi BETA-GALACTOSIDASE

(Sulfolobus
solfataricus) 		PF00232
(Glyco_hydro_1) 		4 THR A 325
TYR A 262
TRP A 287
THR A 323
 None
 1.44A 2qmjA-1uwiA:
7.2		 2qmjA-1uwiA:
20.77
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.
2ddh ACYL-COA OXIDASE

(Rattus
norvegicus) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		4 THR A 135
TYR A 232
TRP A 176
THR A 183
 None
FAD  A 699 ( 3.8A)
FAD  A 699 (-4.0A)
None
 1.46A 2qmjA-2ddhA:
0.0		 2qmjA-2ddhA:
22.40
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) 		5 TYR A 184
TRP A 318
MET A 321
TRP A 413
THR A 418
 BOG  A2000 (-4.5A)
None
BOG  A2000 ( 4.0A)
None
None
 0.34A 2qmjA-2g3nA:
40.7		 2qmjA-2g3nA:
27.40
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.
2n40 TUMOR NECROSIS
FACTOR-INDUCIBLE
GENE 6 PROTEIN

(Homo sapiens) 		PF00193
(Xlink) 		4 TYR A  59
TRP A  88
TRP A  51
THR A  32
 None
 1.39A 2qmjA-2n40A:
undetectable		 2qmjA-2n40A:
9.24
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.
3a62 RIBOSOMAL PROTEIN S6
KINASE BETA-1

(Homo sapiens) 		PF00069
(Pkinase) 		4 THR A 301
TYR A 284
TRP A 277
THR A 256
 None
 1.48A 2qmjA-3a62A:
0.0		 2qmjA-3a62A:
18.50
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) 		6 THR A 205
TYR A 299
TRP A 441
MET A 444
TRP A 539
THR A 544
 None
3CU  A1001 (-3.6A)
3CU  A1001 (-4.9A)
3CU  A1001 ( 3.9A)
3CU  A1001 (-4.6A)
None
 0.26A 2qmjA-3cttA:
61.8		 2qmjA-3cttA:
100.00
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
MET A 473
TRP A 568
THR A 573
 None
TRS  A6001 ( 3.7A)
None
None
 0.27A 2qmjA-3lppA:
59.3		 2qmjA-3lppA:
57.91
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.
3s25 HYPOTHETICAL
7-BLADED
BETA-PROPELLER-LIKE
PROTEIN

([Eubacterium]
rectale) 		PF16472
(DUF5050) 		4 THR A  61
TYR A 303
MET A  70
THR A 307
 None
None
None
EDO  A 333 ( 4.5A)
 1.02A 2qmjA-3s25A:
undetectable		 2qmjA-3s25A:
16.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 TYR A1251
TRP A1418
MET A1421
TRP A1523
THR A1528
 ACR  A   1 ( 4.1A)
None
ACR  A   1 (-3.5A)
ACR  A   1 (-4.5A)
ACR  A   1 ( 4.6A)
 0.31A 2qmjA-3topA:
48.8		 2qmjA-3topA:
43.12
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.
3udb SERINE/THREONINE-PRO
TEIN KINASE SRK2E

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		4 THR A 229
TYR A 208
TRP A 201
THR A 179
 None
 1.17A 2qmjA-3udbA:
undetectable		 2qmjA-3udbA:
16.51
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.
3wc3 ENDO-1,
4-BETA-GLUCANASE

(Eisenia fetida) 		PF00759
(Glyco_hydro_9) 		4 THR A  89
TYR A 183
TRP A 241
THR A 175
 None
 1.41A 2qmjA-3wc3A:
0.3		 2qmjA-3wc3A:
18.78
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.
4u4e THIOLASE

(Sphaerobacter
thermophilus) 		PF02803
(Thiolase_C) 		4 THR A 328
TYR A 349
TRP A 171
MET A 277
 None
 1.48A 2qmjA-4u4eA:
undetectable		 2qmjA-4u4eA:
16.72
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 554
MET A 557
TRP A 630
THR A 635
 TRS  A1001 (-4.9A)
TRS  A1001 (-3.5A)
None
None
 0.32A 2qmjA-5dkxA:
40.0		 2qmjA-5dkxA:
27.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 TRP A 562
MET A 565
TRP A 637
THR A 642
 5GF  A1021 (-4.6A)
5GF  A1021 (-2.6A)
5GF  A1021 ( 4.6A)
None
 0.39A 2qmjA-5hjrA:
43.1		 2qmjA-5hjrA:
30.87
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.
5m28 MALE1

(Lactobacillus
casei) 		PF13416
(SBP_bac_8) 		4 THR A 184
TYR A 167
TRP A 353
THR A 181
 None
None
MLR  A 401 (-2.6A)
None
 1.37A 2qmjA-5m28A:
undetectable		 2qmjA-5m28A:
17.22
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.
5nec TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 4 THR A 237
TYR A 375
TRP A 311
THR A 270
 None
 1.42A 2qmjA-5necA:
0.3		 2qmjA-5necA:
7.72