SIMILAR PATTERNS OF AMINO ACIDS FOR 5IEF_A_NBVA1005_1

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.
1nww LIMONENE-1,2-EPOXIDE
HYDROLASE

(Rhodococcus
erythropolis) 		PF07858
(LEH) 		5 TRP A 130
ASP A 132
ILE A 116
ASP A 101
PHE A  75
 None
HPN  A 900 (-4.3A)
None
HPN  A 900 (-3.4A)
None
 1.28A 5iefA-1nwwA:
undetectable		 5iefA-1nwwA:
11.08
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) 		9 ASP A 212
ILE A 213
ILE A 249
TRP A 318
ASP A 320
MET A 321
ASP A 416
PHE A 449
HIS A 480
 None
None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.0A)
None
None
 0.48A 5iefA-2g3nA:
38.3		 5iefA-2g3nA:
25.81
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) 		9 ASP A 212
ILE A 249
TRP A 318
ASP A 320
MET A 321
PHE A 327
ASP A 416
PHE A 449
HIS A 480
 None
None
None
None
BOG  A2000 ( 4.0A)
None
BOG  A2000 (-3.0A)
None
None
 0.65A 5iefA-2g3nA:
38.3		 5iefA-2g3nA:
25.81
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.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		7 ASP A 412
TRP A 551
ASP A 553
MET A 554
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-3.2A)
QPS  A1050 (-4.8A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.1A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.74A 5iefA-2x2iA:
33.7		 5iefA-2x2iA:
25.34
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 470
TRP A 580
ASP A 582
ASP A 659
PHE A 692
HIS A 740
 None
 0.34A 5iefA-2xvgA:
42.2		 5iefA-2xvgA:
25.26
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 TRP A 471
ASP A 470
TRP A 580
ASP A 659
PHE A 692
HIS A 740
 EDO  A1997 ( 4.5A)
None
None
None
None
None
 0.76A 5iefA-2xvgA:
42.2		 5iefA-2xvgA:
25.26
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) 		10 ASP A 327
ILE A 328
ILE A 364
TRP A 441
ASP A 443
MET A 444
PHE A 450
ASP A 542
PHE A 575
HIS A 600
 3CU  A1001 (-2.7A)
3CU  A1001 ( 3.9A)
3CU  A1001 (-4.5A)
3CU  A1001 (-4.9A)
3CU  A1001 (-2.7A)
3CU  A1001 ( 3.9A)
None
3CU  A1001 ( 2.5A)
3CU  A1001 (-4.5A)
3CU  A1001 (-3.9A)
 0.47A 5iefA-3cttA:
49.1		 5iefA-3cttA:
29.99
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) 		11 TRP A 327
ASP A 355
ILE A 356
ILE A 392
TRP A 470
ASP A 472
MET A 473
PHE A 479
ASP A 571
PHE A 604
HIS A 629
 TRS  A6001 ( 3.8A)
TRS  A6001 (-2.9A)
TRS  A6001 ( 4.0A)
None
None
TRS  A6001 (-3.2A)
TRS  A6001 ( 3.7A)
None
TRS  A6001 ( 3.7A)
TRS  A6001 (-4.4A)
TRS  A6001 (-4.2A)
 0.46A 5iefA-3lppA:
42.7		 5iefA-3lppA:
29.16
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) 		9 TRP A 169
ASP A 197
ILE A 198
ILE A 234
MET A 308
PHE A 314
ASP A 420
PHE A 453
HIS A 478
 ACR  A 664 (-3.7A)
ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
None
ACR  A 664 ( 3.8A)
ACR  A 664 ( 4.2A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.55A 5iefA-3pocA:
35.4		 5iefA-3pocA:
24.35
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.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		7 TRP A 169
ASP A 197
ILE A 198
ILE A 234
TRP A 305
PHE A 453
HIS A 478
 ACR  A 664 (-3.7A)
ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
None
None
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.87A 5iefA-3pocA:
35.4		 5iefA-3pocA:
24.35
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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		10 ASP A1279
ILE A1280
ILE A1315
TRP A1418
ASP A1420
MET A1421
PHE A1427
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
None
None
ACR  A   1 (-3.6A)
ACR  A   1 (-3.5A)
None
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.53A 5iefA-3topA:
38.9		 5iefA-3topA:
27.17
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) 		6 ASP A1279
ILE A1280
MET A1421
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 1.46A 5iefA-3topA:
38.9		 5iefA-3topA:
27.17
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) 		11 TRP A 329
ASP A 357
ILE A 358
ILE A 396
TRP A 467
ASP A 469
MET A 470
PHE A 476
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-4.1A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
None
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
None
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.45A 5iefA-3welA:
41.2		 5iefA-3welA:
29.60
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
ILE A 341
ASP A 480
PHE A 513
HIS A 540
 None
 1.41A 5iefA-4b9yA:
38.1		 5iefA-4b9yA:
27.34
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) 		7 ASP A 299
ILE A 341
TRP A 410
ASP A 412
ASP A 480
PHE A 513
HIS A 540
 None
 0.46A 5iefA-4b9yA:
38.1		 5iefA-4b9yA:
27.34
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 ILE A 341
PHE A 377
ASP A 480
PHE A 513
HIS A 540
 None
 1.27A 5iefA-4b9yA:
38.1		 5iefA-4b9yA:
27.34
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.
4r7u UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio cholerae) 		PF00275
(EPSP_synthase) 		5 ASP A 397
ILE A 396
ILE A 393
PHE A 239
ASP A 405
 None
 1.33A 5iefA-4r7uA:
undetectable		 5iefA-4r7uA:
19.10
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.
5djw ALPHA-GLUCOSIDASE II

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		5 ASP A 211
ILE A 212
TRP A 319
ASP A 321
ASP A 401
 None
 1.15A 5iefA-5djwA:
34.8		 5iefA-5djwA:
28.67
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.
5djw ALPHA-GLUCOSIDASE II

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		5 ASP A 211
TRP A 319
ASP A 321
ASP A 401
PHE A 434
 None
 1.38A 5iefA-5djwA:
34.8		 5iefA-5djwA:
28.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		11 TRP A 415
ASP A 443
ILE A 444
ILE A 480
TRP A 554
ASP A 556
MET A 557
PHE A 563
ASP A 633
PHE A 666
HIS A 691
 None
TRS  A1001 (-2.9A)
TRS  A1001 ( 4.1A)
None
TRS  A1001 (-4.9A)
TRS  A1001 (-3.2A)
TRS  A1001 (-3.5A)
None
TRS  A1001 (-2.8A)
TRS  A1001 (-4.5A)
TRS  A1001 (-4.0A)
 0.36A 5iefA-5dkxA:
50.4		 5iefA-5dkxA:
43.84
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 348
ASP A 460
ASP A 523
PHE A 556
HIS A 588
 None
 0.45A 5iefA-5f7cA:
29.2		 5iefA-5f7cA:
23.95
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) 		11 TRP A 423
ASP A 451
ILE A 452
ILE A 488
TRP A 562
ASP A 564
MET A 565
PHE A 571
ASP A 640
PHE A 673
HIS A 698
 5GF  A1021 (-3.1A)
5GF  A1021 (-2.0A)
5GF  A1021 (-3.6A)
None
5GF  A1021 (-4.6A)
5GF  A1021 (-2.1A)
5GF  A1021 (-2.6A)
None
5GF  A1021 (-2.6A)
5GF  A1021 (-3.6A)
5GF  A1021 (-4.0A)
 0.31A 5iefA-5hjrA:
61.4		 5iefA-5hjrA:
93.97
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.
5jou ALPHA-XYLOSIDASE
BOGH31A

(Bacteroides
ovatus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		7 TRP A 442
ASP A 441
TRP A 551
ASP A 553
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-3.7A)
EDO  A1008 (-2.8A)
None
EDO  A1008 (-2.7A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.83A 5iefA-5jouA:
35.2		 5iefA-5jouA:
25.97
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 10 TRP A 376
ASP A 404
ILE A 441
TRP A 516
ASP A 518
MET A 519
PHE A 525
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 ( 4.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
None
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
None
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.58A 5iefA-5nn8A:
50.0		 5iefA-5nn8A:
31.52
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		5 TRP A 427
ASP A 429
ASP A 491
PHE A 533
HIS A 565
 None
 0.52A 5iefA-5x7sA:
8.8		 5iefA-5x7sA:
21.95