SIMILAR PATTERNS OF AMINO ACIDS FOR 5IEF_A_NBVA1005_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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 ARG A 400
TRP A 413
ASP A 445
ARG A 478
 BOG  A2000 (-3.1A)
None
None
None
 0.15A 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) 		4 ARG A 649
TRP A 662
ASP A 694
ARG A 729
 QPS  A1050 (-3.2A)
QPS  A1050 (-4.6A)
None
None
 0.40A 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) 		4 ARG A 642
TRP A 656
ASP A 688
ARG A 738
 None
 0.65A 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) 		4 ARG A 526
TRP A 539
ASP A 571
ARG A 598
 3CU  A1001 ( 3.5A)
3CU  A1001 (-4.6A)
3CU  A1001 ( 4.8A)
3CU  A1001 ( 4.7A)
 0.41A 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) 		4 ARG A 555
TRP A 568
ASP A 600
ARG A 627
 TRS  A6001 ( 4.6A)
None
None
None
 0.24A 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) 		4 ARG A 404
TRP A 417
ASP A 449
ARG A 476
 ACR  A 664 (-4.0A)
ACR  A 664 (-4.6A)
None
ACR  A 664 ( 4.9A)
 0.37A 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) 		4 ARG A1510
TRP A1523
ASP A1555
ARG A1582
 ACR  A   1 (-2.9A)
ACR  A   1 (-4.5A)
None
None
 0.29A 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) 		4 ARG A 552
TRP A 565
ASP A 597
ARG A 624
 ACR  A1001 (-3.0A)
ACR  A1001 (-4.8A)
None
None
 0.19A 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) 		4 ARG A 463
TRP A 477
ASP A 509
ARG A 538
 None
 0.86A 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.
5aee ALPHA-GLUCOSIDASE
YIHQ

(Escherichia
coli) 		PF01055
(Glyco_hydro_31) 		4 ARG A 455
TRP A 469
ASP A 504
ARG A 535
 NSQ  A1681 (-3.7A)
NSQ  A1681 (-4.8A)
NSQ  A1681 ( 4.7A)
None
 0.85A 5iefA-5aeeA:
26.7		 5iefA-5aeeA:
23.07
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) 		4 ARG A 617
TRP A 630
ASP A 662
ARG A 689
 TRS  A1001 (-4.0A)
None
None
None
 0.00A 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) 		4 ARG A 507
TRP A 520
ASP A 552
ARG A 586
 None
 0.59A 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) 		4 ARG A 624
TRP A 637
ASP A 669
ARG A 696
 5GF  A1021 (-3.4A)
5GF  A1021 ( 4.6A)
5GF  A1021 ( 4.6A)
None
 0.22A 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) 		4 ARG A 613
TRP A 627
ASP A 659
ARG A 707
 EDO  A1008 (-4.6A)
None
None
None
 0.82A 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 4 ARG A 600
TRP A 613
ASP A 645
ARG A 672
 ACR  A1015 (-3.1A)
ACR  A1015 (-4.8A)
None
ACR  A1015 ( 4.8A)
 0.18A 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.
5ohs -

(-) 		no annotation 4 ARG A 438
TRP A 452
ASP A 487
ARG A 518
 NSQ  A 709 (-3.8A)
NSQ  A 709 (-4.9A)
NSQ  A 709 ( 4.8A)
None
 0.87A 5iefA-5ohsA:
28.0		 5iefA-5ohsA:
undetectable
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) 		4 ARG A 474
TRP A 488
ASP A 529
ARG A 563
 None
 0.95A 5iefA-5x7sA:
10.0		 5iefA-5x7sA:
21.95