SIMILAR PATTERNS OF AMINO ACIDS FOR 2X2I_C_QPSC1050

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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		7 ASP A  87
ASP A 212
ASP A 320
MET A 321
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.0A)
None
None
 0.40A 2x2iC-2g3nA:
31.4		 2x2iC-2g3nA:
23.03
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		6 ASP A 587
ASP A 470
ASP A 582
ASP A 659
PHE A 692
HIS A 740
 None
 0.78A 2x2iC-2xvgA:
31.4		 2x2iC-2xvgA:
23.85
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.
3cmg PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 VAL A 384
ASN A 428
PHE A 567
HIS A 325
HIS A 571
 None
PO4  A 810 (-3.1A)
None
None
None
 1.29A 2x2iC-3cmgA:
6.4		 2x2iC-3cmgA:
21.19
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.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		7 ASP A 203
ASP A 327
ASP A 443
MET A 444
ASP A 542
PHE A 575
HIS A 600
 GOL  A3001 (-2.6A)
3CU  A1001 (-2.7A)
3CU  A1001 (-2.7A)
3CU  A1001 ( 3.9A)
3CU  A1001 ( 2.5A)
3CU  A1001 (-4.5A)
3CU  A1001 (-3.9A)
 0.52A 2x2iC-3cttA:
36.2		 2x2iC-3cttA:
24.02
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		8 ASP A 231
GLN A 232
ASP A 355
ASP A 472
MET A 473
ASP A 571
PHE A 604
HIS A 629
 None
None
TRS  A6001 (-2.9A)
TRS  A6001 (-3.2A)
TRS  A6001 ( 3.7A)
TRS  A6001 ( 3.7A)
TRS  A6001 (-4.4A)
TRS  A6001 (-4.2A)
 0.70A 2x2iC-3lppA:
33.6		 2x2iC-3lppA:
23.77
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.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		6 ASP A  73
ASP A 197
MET A 308
ASP A 420
PHE A 453
HIS A 478
 None
ACR  A 664 (-2.9A)
ACR  A 664 ( 3.8A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.40A 2x2iC-3pocA:
35.1		 2x2iC-3pocA:
24.15
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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		8 ASP A1157
GLN A1158
ASP A1279
ASP A1420
MET A1421
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 ( 4.8A)
ACR  A   1 (-3.2A)
ACR  A   1 (-3.6A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.97A 2x2iC-3topA:
32.7		 2x2iC-3topA:
24.45
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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		7 ASP A 232
ASP A 357
ASP A 469
MET A 470
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.42A 2x2iC-3welA:
35.4		 2x2iC-3welA:
24.57
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ASP A 299
ASP A 412
ASP A 480
PHE A 513
HIS A 540
 None
 0.37A 2x2iC-4b9yA:
32.9		 2x2iC-4b9yA:
23.49
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) 		7 ASP A 303
ASP A 443
ASP A 556
MET A 557
ASP A 633
PHE A 666
HIS A 691
 None
TRS  A1001 (-2.9A)
TRS  A1001 (-3.2A)
TRS  A1001 (-3.5A)
TRS  A1001 (-2.8A)
TRS  A1001 (-4.5A)
TRS  A1001 (-4.0A)
 0.54A 2x2iC-5dkxA:
31.9		 2x2iC-5dkxA:
23.95
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.
5dsy POLY [ADP-RIBOSE]
POLYMERASE 2

(Homo sapiens) 		PF00644
(PARP) 		5 GLN A 371
ASN A 544
ASP A 452
MET A 453
PHE A 515
 None
 1.42A 2x2iC-5dsyA:
undetectable		 2x2iC-5dsyA:
14.23
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.
5f7c ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		6 ASP A 228
ASP A 348
ASP A 460
ASP A 523
PHE A 556
HIS A 588
 None
 0.54A 2x2iC-5f7cA:
28.6		 2x2iC-5f7cA:
22.37
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.
5f7c ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ASP A 228
GLN A 230
ASP A 523
PHE A 556
HIS A 588
 None
 1.04A 2x2iC-5f7cA:
28.6		 2x2iC-5f7cA:
22.37
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.
5f7s GLYCOSIDE HYDROLASE
FAMILY 31

(Trueperella
pyogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 GLN A 199
ASP A 467
ASP A 532
PHE A 565
HIS A 591
 None
CA  A 805 (-2.9A)
CA  A 805 ( 4.6A)
None
None
 1.01A 2x2iC-5f7sA:
27.0		 2x2iC-5f7sA:
22.91
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		7 ASP A 305
ASP A 451
ASP A 564
MET A 565
ASP A 640
PHE A 673
HIS A 698
 None
5GF  A1021 (-2.0A)
5GF  A1021 (-2.1A)
5GF  A1021 (-2.6A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.6A)
5GF  A1021 (-4.0A)
 0.42A 2x2iC-5hjrA:
36.1		 2x2iC-5hjrA:
25.54
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.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 7 ASP A 282
ASP A 404
ASP A 518
MET A 519
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.53A 2x2iC-5nn8A:
36.9		 2x2iC-5nn8A:
24.28
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.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 5 ASP A 202
ASP A 388
ASP A 310
PHE A 144
HIS A 169
 TRS  A 600 (-2.8A)
None
TRS  A 600 ( 4.7A)
None
None
 1.17A 2x2iC-5x7uA:
11.2		 2x2iC-5x7uA:
6.03
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.
5xao UNCHARACTERIZED
PROTEIN

(Parastagonospora
nodorum) 		PF01266
(DAO) 		5 GLN A 229
ASP A  68
VAL A  67
ASN A  65
HIS A 373
 None
 1.23A 2x2iC-5xaoA:
undetectable		 2x2iC-5xaoA:
17.83
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.
3gm8 GLYCOSIDE HYDROLASE
FAMILY 2, CANDIDATE
BETA-GLYCOSIDASE

(Bacteroides
vulgatus) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 LEU A 577
PHE A 581
TRP A 621
TRP A 568
 None
 0.95A 2x2iC-3gm8A:
8.4		 2x2iC-3gm8A:
21.76
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 LEU A 233
TRP A 470
ARG A 555
TRP A 568
 None
None
TRS  A6001 ( 4.6A)
None
 0.84A 2x2iC-3lppA:
33.7		 2x2iC-3lppA:
23.77
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.
3m07 PUTATIVE ALPHA
AMYLASE

(Salmonella
enterica) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		4 PHE A  66
TRP A  10
ARG A  23
TRP A  50
 None
 1.48A 2x2iC-3m07A:
14.8		 2x2iC-3m07A:
20.64
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.
3of7 REGULATOR OF
CHROMOSOME
CONDENSATION

(Saccharomyces
cerevisiae) 		PF00415
(RCC1)
PF13540
(RCC1_2) 		4 LEU A 146
PHE A  78
TRP A 106
ARG A 118
 None
 1.44A 2x2iC-3of7A:
0.0		 2x2iC-3of7A:
18.88
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 PHE A 271
TRP A 410
ARG A 463
TRP A 477
 None
 0.39A 2x2iC-4b9yA:
32.9		 2x2iC-4b9yA:
23.49