SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4ayg'

List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1CEB_A_AMHA90_1
(PLASMINOGEN)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 7 ARG A1729
ASP A1722
ASP A1724
TYR A1698
 None
None
SO4  A2807 ( 2.9A)
None
 1.24A 1cebA-4aygA:
undetectable		 1cebA-4aygA:
5.89
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		6 / 12 LEU A 981
ASP A1025
ALA A1026
GLU A1063
HIS A1135
ASP A1136
 None
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-3.4A)
None
GOL  A2791 (-4.3A)
 1.04A 1dedA-4aygA:
6.3		 1dedA-4aygA:
21.80
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		6 / 12 TYR A1465
LEU A 981
ASP A1025
ALA A1026
GLU A1063
HIS A1135
 GOL  A2773 ( 4.1A)
None
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-3.4A)
None
 0.96A 1dedA-4aygA:
6.3		 1dedA-4aygA:
21.80
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 TYR A1465
LEU A 981
LEU A 982
ASP A1025
ALA A1026
 GOL  A2773 ( 4.1A)
None
None
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
 0.74A 1dedA-4aygA:
6.3		 1dedA-4aygA:
21.80
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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		6 / 12 ARG A1023
ASP A1025
ALA A1026
GLU A1063
HIS A1135
ASP A1136
 GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-3.4A)
None
GOL  A2791 (-4.3A)
 0.92A 1dedB-4aygA:
8.2		 1dedB-4aygA:
21.80
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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		7 / 12 TYR A1465
LEU A 982
ARG A1023
ASP A1025
ALA A1026
GLU A1063
HIS A1135
 GOL  A2773 ( 4.1A)
None
GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-3.4A)
None
 0.98A 1dedB-4aygA:
8.2		 1dedB-4aygA:
21.80
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.
1KQE_A_DVAA6_0
(MINI-GRAMICIDIN A)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 ALA A1026
VAL A1024
TRP A1505
 GOL  A2791 (-3.6A)
None
None
 0.73A 1kqeA-4aygA:
undetectable
1kqeE-4aygA:
undetectable		 1kqeA-4aygA:
3.45
1kqeE-4aygA:
3.45
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.
1KQE_B_DVAB6_0
(MINI-GRAMICIDIN A)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 ALA A1026
VAL A1024
TRP A1505
 GOL  A2791 (-3.6A)
None
None
 0.73A 1kqeB-4aygA:
undetectable
1kqeD-4aygA:
undetectable		 1kqeB-4aygA:
3.45
1kqeD-4aygA:
3.45
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.
1KQE_D_DVAD6_0
(MINI-GRAMICIDIN A)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 TRP A1505
ALA A1026
VAL A1024
 None
GOL  A2791 (-3.6A)
None
 0.72A 1kqeB-4aygA:
undetectable
1kqeD-4aygA:
undetectable		 1kqeB-4aygA:
3.45
1kqeD-4aygA:
3.45
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.
1KQE_E_DVAE6_0
(MINI-GRAMICIDIN A)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 TRP A1505
ALA A1026
VAL A1024
 None
GOL  A2791 (-3.6A)
None
 0.72A 1kqeA-4aygA:
undetectable
1kqeE-4aygA:
undetectable		 1kqeA-4aygA:
3.45
1kqeE-4aygA:
3.45
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.
1MIC_A_DVAA6_0
(GRAMICIDIN A)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 ALA A1026
VAL A1024
TRP A1505
 GOL  A2791 (-3.6A)
None
None
 0.87A 1micA-4aygA:
undetectable
1micB-4aygA:
undetectable		 1micA-4aygA:
3.52
1micB-4aygA:
3.52
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.
1NW5_A_SAMA401_1
(MODIFICATION
METHYLASE RSRI)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 ASP A1504
HIS A1135
ASP A1458
 None
None
GOL  A2773 (-2.8A)
 0.86A 1nw5A-4aygA:
undetectable		 1nw5A-4aygA:
15.25
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 7 ALA A1146
TYR A1170
TYR A1155
PHE A1412
 None
 1.12A 2ajvH-4aygA:
undetectable
2ajvL-4aygA:
undetectable		 2ajvH-4aygA:
12.79
2ajvL-4aygA:
11.37
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 7 ALA A1393
TYR A1394
TYR A1046
TYR A1041
 None
 1.03A 2ajvH-4aygA:
undetectable
2ajvL-4aygA:
undetectable		 2ajvH-4aygA:
12.79
2ajvL-4aygA:
11.37
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 7 ALA A1490
TYR A1209
TYR A1205
PHE A1442
 None
 1.08A 2ajvH-4aygA:
undetectable
2ajvL-4aygA:
undetectable		 2ajvH-4aygA:
12.79
2ajvL-4aygA:
11.37
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.
2AOU_A_CQAA403_0
(HISTAMINE
N-METHYLTRANSFERASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 8 GLY A1408
PHE A1409
ASP A1211
TYR A1204
 None
 0.91A 2aouA-4aygA:
undetectable		 2aouA-4aygA:
13.56
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.
2E5D_A_NCAA1501_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 7 ARG A1133
ALA A1146
ASP A1211
TYR A1170
 None
 1.16A 2e5dA-4aygA:
undetectable
2e5dB-4aygA:
undetectable		 2e5dA-4aygA:
20.67
2e5dB-4aygA:
20.67
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.
2E5D_B_NCAB1502_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 7 ASP A1211
TYR A1170
ARG A1133
ALA A1146
 None
 1.17A 2e5dA-4aygA:
undetectable
2e5dB-4aygA:
undetectable		 2e5dA-4aygA:
20.67
2e5dB-4aygA:
20.67
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.
2G72_A_SAMA2001_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 6 TYR A1740
GLY A1736
TYR A1720
ASP A 934
 None
GOL  A2778 (-3.7A)
None
None
 1.30A 2g72A-4aygA:
undetectable		 2g72A-4aygA:
14.63
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.
2OXT_C_SAMC300_1
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 4 SER A1734
GLY A1736
HIS A1527
ASP A 985
 GOL  A2778 (-3.6A)
GOL  A2778 (-3.7A)
None
CA  A2770 (-2.2A)
 1.37A 2oxtC-4aygA:
undetectable		 2oxtC-4aygA:
13.30
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 6 TYR A1190
TYR A1204
TYR A1222
GLN A1210
 None
 1.48A 2pgzD-4aygA:
undetectable
2pgzE-4aygA:
undetectable		 2pgzD-4aygA:
13.08
2pgzE-4aygA:
13.08
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.
2QBM_A_CAMA517_0
(CYTOCHROME P450-CAM)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 8 THR A 953
VAL A1521
VAL A1609
ILE A1542
 None
 0.96A 2qbmA-4aygA:
undetectable		 2qbmA-4aygA:
16.22
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.
2R2V_C_ACTC36_0
(GCN4 LEUCINE ZIPPER)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 10 ALA A 956
GLU A1517
ALA A1593
SER A1592
TYR A1595
 None
GOL  A2796 (-3.6A)
None
GOL  A2796 ( 4.3A)
GOL  A2772 ( 4.6A)
 1.42A 2r2vC-4aygA:
undetectable
2r2vF-4aygA:
undetectable
2r2vG-4aygA:
undetectable		 2r2vC-4aygA:
2.96
2r2vF-4aygA:
2.96
2r2vG-4aygA:
2.96
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.
2ZZN_A_SAMA401_0
(UNCHARACTERIZED
PROTEIN MJ0883)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 ARG A1308
GLY A1277
ASN A1253
ASP A1246
VAL A1294
 None
 1.03A 2zznA-4aygA:
undetectable		 2zznA-4aygA:
16.02
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.
3A27_A_SAMA250_1
(UNCHARACTERIZED
PROTEIN MJ1557)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 MET A1083
GLU A1407
ASN A1411
 None
 0.97A 3a27A-4aygA:
undetectable		 3a27A-4aygA:
14.01
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.
3A27_A_SAMA250_1
(UNCHARACTERIZED
PROTEIN MJ1557)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 MET A1083
GLU A1407
ASN A1463
 None
 1.00A 3a27A-4aygA:
undetectable		 3a27A-4aygA:
14.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		11 / 12 LEU A 981
ARG A1023
ASP A1025
ALA A1026
ASN A1029
GLU A1063
ARG A1088
HIS A1135
ASP A1136
ASP A1458
GLN A1509
 None
GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-4.6A)
GOL  A2791 (-3.4A)
ACY  A2820 (-2.8A)
None
GOL  A2791 (-4.3A)
GOL  A2773 (-2.8A)
GOL  A2773 (-3.0A)
 0.60A 3aicA-4aygA:
55.0		 3aicA-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		6 / 12 LEU A 982
ARG A1023
ASP A1025
HIS A1135
ASP A1136
GLN A1509
 None
GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
None
GOL  A2791 (-4.3A)
GOL  A2773 (-3.0A)
 1.44A 3aicA-4aygA:
55.0		 3aicA-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_A_ACRA5044_2
(GLUCOSYLTRANSFERASE-
SI)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 LEU A 818
TRP A 852
TYR A 824
 None
 1.00A 3aicA-4aygA:
55.0		 3aicA-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_A_ACRA5044_2
(GLUCOSYLTRANSFERASE-
SI)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 LEU A 982
TRP A1065
TYR A1465
 None
None
GOL  A2773 ( 4.1A)
 0.33A 3aicA-4aygA:
55.0		 3aicA-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		11 / 12 LEU A 981
ARG A1023
ASP A1025
ALA A1026
ASN A1029
GLU A1063
ARG A1088
HIS A1135
ASP A1136
ASP A1458
GLN A1509
 None
GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-4.6A)
GOL  A2791 (-3.4A)
ACY  A2820 (-2.8A)
None
GOL  A2791 (-4.3A)
GOL  A2773 (-2.8A)
GOL  A2773 (-3.0A)
 0.62A 3aicB-4aygA:
54.6		 3aicB-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_B_ACRB5044_2
(GLUCOSYLTRANSFERASE-
SI)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 LEU A 818
TRP A 852
TYR A 824
 None
 1.00A 3aicB-4aygA:
54.5		 3aicB-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_B_ACRB5044_2
(GLUCOSYLTRANSFERASE-
SI)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 LEU A 982
TRP A1065
TYR A1465
 None
None
GOL  A2773 ( 4.1A)
 0.31A 3aicB-4aygA:
54.5		 3aicB-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		11 / 12 ARG A1023
ASP A1025
ALA A1026
ASN A1029
GLU A1063
ARG A1088
HIS A1135
ASP A1136
ASP A1458
TYR A1465
GLN A1509
 GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-4.6A)
GOL  A2791 (-3.4A)
ACY  A2820 (-2.8A)
None
GOL  A2791 (-4.3A)
GOL  A2773 (-2.8A)
GOL  A2773 ( 4.1A)
GOL  A2773 (-3.0A)
 0.59A 3aicC-4aygA:
55.7		 3aicC-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		11 / 12 LEU A 981
ARG A1023
ASP A1025
ALA A1026
ASN A1029
GLU A1063
ARG A1088
HIS A1135
ASP A1136
ASP A1458
GLN A1509
 None
GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-4.6A)
GOL  A2791 (-3.4A)
ACY  A2820 (-2.8A)
None
GOL  A2791 (-4.3A)
GOL  A2773 (-2.8A)
GOL  A2773 (-3.0A)
 0.61A 3aicD-4aygA:
55.6		 3aicD-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		6 / 12 LEU A 982
ARG A1023
ASP A1025
HIS A1135
ASP A1136
GLN A1509
 None
GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
None
GOL  A2791 (-4.3A)
GOL  A2773 (-3.0A)
 1.45A 3aicD-4aygA:
55.6		 3aicD-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		11 / 12 LEU A 981
ARG A1023
ASP A1025
ALA A1026
ASN A1029
GLU A1063
ARG A1088
HIS A1135
ASP A1136
ASP A1458
GLN A1509
 None
GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-4.6A)
GOL  A2791 (-3.4A)
ACY  A2820 (-2.8A)
None
GOL  A2791 (-4.3A)
GOL  A2773 (-2.8A)
GOL  A2773 (-3.0A)
 0.57A 3aicE-4aygA:
55.7		 3aicE-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_E_ACRE5044_2
(GLUCOSYLTRANSFERASE-
SI)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 LEU A 818
TRP A 852
TYR A 824
 None
 0.99A 3aicE-4aygA:
55.7		 3aicE-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_E_ACRE5044_2
(GLUCOSYLTRANSFERASE-
SI)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 LEU A 982
TRP A1065
TYR A1465
 None
None
GOL  A2773 ( 4.1A)
 0.33A 3aicE-4aygA:
55.7		 3aicE-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		11 / 12 LEU A 981
ARG A1023
ASP A1025
ALA A1026
ASN A1029
GLU A1063
ARG A1088
HIS A1135
ASP A1136
ASP A1458
GLN A1509
 None
GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-4.6A)
GOL  A2791 (-3.4A)
ACY  A2820 (-2.8A)
None
GOL  A2791 (-4.3A)
GOL  A2773 (-2.8A)
GOL  A2773 (-3.0A)
 0.66A 3aicF-4aygA:
54.9		 3aicF-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_F_ACRF5044_2
(GLUCOSYLTRANSFERASE-
SI)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 LEU A 818
TRP A 852
TYR A 824
 None
 1.01A 3aicF-4aygA:
54.9		 3aicF-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_F_ACRF5044_2
(GLUCOSYLTRANSFERASE-
SI)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 LEU A 982
TRP A1065
TYR A1465
 None
None
GOL  A2773 ( 4.1A)
 0.44A 3aicF-4aygA:
54.9		 3aicF-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		11 / 12 LEU A 981
ARG A1023
ASP A1025
ALA A1026
ASN A1029
GLU A1063
ARG A1088
HIS A1135
ASP A1136
ASP A1458
GLN A1509
 None
GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-4.6A)
GOL  A2791 (-3.4A)
ACY  A2820 (-2.8A)
None
GOL  A2791 (-4.3A)
GOL  A2773 (-2.8A)
GOL  A2773 (-3.0A)
 0.63A 3aicG-4aygA:
55.7		 3aicG-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_G_ACRG5044_2
(GLUCOSYLTRANSFERASE-
SI)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 LEU A 818
TRP A 852
TYR A 824
 None
 0.93A 3aicG-4aygA:
55.7		 3aicG-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_G_ACRG5044_2
(GLUCOSYLTRANSFERASE-
SI)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 LEU A 982
TRP A1065
TYR A1465
 None
None
GOL  A2773 ( 4.1A)
 0.30A 3aicG-4aygA:
55.7		 3aicG-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		11 / 12 LEU A 981
ARG A1023
ASP A1025
ALA A1026
ASN A1029
GLU A1063
ARG A1088
HIS A1135
ASP A1136
ASP A1458
GLN A1509
 None
GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-4.6A)
GOL  A2791 (-3.4A)
ACY  A2820 (-2.8A)
None
GOL  A2791 (-4.3A)
GOL  A2773 (-2.8A)
GOL  A2773 (-3.0A)
 0.57A 3aicH-4aygA:
55.6		 3aicH-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_H_ACRH5044_2
(GLUCOSYLTRANSFERASE-
SI)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 LEU A 818
TRP A 852
TYR A 824
 None
 0.99A 3aicH-4aygA:
55.6		 3aicH-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_H_ACRH5044_2
(GLUCOSYLTRANSFERASE-
SI)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 LEU A 982
TRP A1065
TYR A1465
 None
None
GOL  A2773 ( 4.1A)
 0.31A 3aicH-4aygA:
55.6		 3aicH-4aygA:
43.17
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.
3B9L_A_AZZA1010_1
(SERUM ALBUMIN)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 8 LEU A1288
ILE A1250
ARG A1354
GLY A1363
 None
None
GOL  A2775 (-3.8A)
None
 0.94A 3b9lA-4aygA:
undetectable		 3b9lA-4aygA:
20.35
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.
3DCJ_B_THHB401_0
(PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 8 ILE A1061
LEU A1081
ASN A1403
VAL A1200
 None
None
GOL  A2788 ( 4.7A)
None
 0.85A 3dcjB-4aygA:
undetectable		 3dcjB-4aygA:
14.45
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 LEU A1768
ASP A1767
ASP A1526
GLY A 976
HIS A1527
 None
None
None
SO4  A2808 (-3.4A)
None
 1.34A 3glqA-4aygA:
undetectable		 3glqA-4aygA:
18.25
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.
3HAM_B_LLLB500_1
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 11 ASP A1025
ASP A1504
ASP A1028
ASP A1069
ARG A1202
 GOL  A2773 ( 2.9A)
None
GOL  A2792 (-3.4A)
GOL  A2792 (-3.7A)
None
 1.37A 3hamB-4aygA:
1.0		 3hamB-4aygA:
13.77
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.
3JZJ_A_ACRA405_1
(ACARBOSE/MALTOSE
BINDING PROTEIN GACH)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 GLU A 997
PHE A1596
GLY A1598
GLY A1548
ASN A1544
 None
None
None
None
SO4  A2813 ( 4.7A)
 1.18A 3jzjA-4aygA:
undetectable		 3jzjA-4aygA:
18.23
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.
3JZJ_A_ACRA405_1
(ACARBOSE/MALTOSE
BINDING PROTEIN GACH)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 GLU A1217
GLY A1166
ALA A1139
GLY A1206
ARG A1133
 SO4  A2810 (-3.5A)
None
None
None
None
 1.20A 3jzjA-4aygA:
undetectable		 3jzjA-4aygA:
18.23
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.
3N58_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 LEU A1768
ASP A1767
ASP A1526
GLY A 976
HIS A1527
 None
None
None
SO4  A2808 (-3.4A)
None
 1.35A 3n58A-4aygA:
undetectable		 3n58A-4aygA:
18.99
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.
3PRS_A_RITA1001_2
(ENDOTHIAPEPSIN)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 ASP A1033
ASP A1069
GLY A1066
ASP A1028
THR A 966
 None
GOL  A2792 (-3.7A)
GOL  A2792 ( 3.8A)
GOL  A2792 (-3.4A)
GOL  A2792 (-3.5A)
 1.07A 3prsA-4aygA:
undetectable		 3prsA-4aygA:
16.10
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.
3Q5P_A_TACA7101_1
(MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 TYR A1190
ILE A1413
TYR A1204
PHE A1442
GLU A1407
 None
 1.45A 3q5pA-4aygA:
undetectable		 3q5pA-4aygA:
14.73
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.
3QOW_A_SAMA417_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 THR A1392
ASP A1052
GLU A1386
 None
 0.76A 3qowA-4aygA:
undetectable		 3qowA-4aygA:
17.64
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.
3TWP_D_SALD404_1
(ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 5 ALA A1071
PRO A1070
TYR A1072
ALA A 967
 GOL  A2771 (-3.2A)
GOL  A2771 (-3.7A)
None
GOL  A2792 ( 4.1A)
 1.41A 3twpD-4aygA:
undetectable		 3twpD-4aygA:
17.63
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.
3U6T_A_KANA4699_1
(RIBOSOME
INACTIVATING PROTEIN)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 10 ILE A1059
SER A1199
ASN A1130
ILE A1405
GLU A1443
 None
 1.04A 3u6tA-4aygA:
undetectable		 3u6tA-4aygA:
12.99
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.
3W9T_F_W9TF512_1
(HEMOLYTIC LECTIN
CEL-III)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 6 THR A1599
ASN A1600
GLY A 943
ILE A1536
 None
 0.94A 3w9tF-4aygA:
undetectable		 3w9tF-4aygA:
16.83
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.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 ASP A 934
ALA A1737
PHE A1753
ASP A1767
ASP A1754
 None
 1.09A 3welA-4aygA:
3.3		 3welA-4aygA:
22.46
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.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 ASP A 934
ALA A1737
PHE A1753
ASP A1767
ASP A1754
 None
 1.03A 3wemA-4aygA:
2.6		 3wemA-4aygA:
22.46
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.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 ASP A 934
ALA A1737
PHE A1753
ASP A1767
ASP A1754
 None
 1.09A 3weoA-4aygA:
3.6		 3weoA-4aygA:
22.46
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.
4AX8_A_SAMA1474_1
(WBDD)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 6 TYR A1511
GLN A1509
GLU A 931
LEU A 940
 None
GOL  A2773 (-3.0A)
None
None
 1.27A 4ax8A-4aygA:
2.3		 4ax8A-4aygA:
20.81
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.
4AZS_A_SAMA1475_0
(METHYLTRANSFERASE
WBDD)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 ALA A 983
ASN A 984
ILE A1601
GLU A 931
LEU A 940
 None
 1.09A 4azsA-4aygA:
2.6		 4azsA-4aygA:
20.90
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.
4AZS_A_SAMA1475_0
(METHYLTRANSFERASE
WBDD)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 TYR A1511
ASN A 984
ILE A1601
GLU A 931
LEU A 940
 None
 1.20A 4azsA-4aygA:
2.6		 4azsA-4aygA:
20.90
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.
4AZT_A_SAMA1472_0
(METHYLTRANSFERASE
WBDD)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 ALA A 983
ASN A 984
ILE A1601
GLU A 931
LEU A 940
 None
 1.09A 4aztA-4aygA:
2.5		 4aztA-4aygA:
20.90
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.
4FP9_A_SAMA401_0
(METHYLTRANSFERASE
NSUN4)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 GLY A1239
LEU A1230
GLY A1438
ASP A1401
PRO A1201
 None
 1.06A 4fp9A-4aygA:
undetectable		 4fp9A-4aygA:
16.08
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.
4FP9_C_SAMC401_0
(METHYLTRANSFERASE
NSUN4)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 GLY A1239
LEU A1230
GLY A1438
ASP A1401
PRO A1201
 None
 1.06A 4fp9C-4aygA:
undetectable		 4fp9C-4aygA:
16.08
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.
4FP9_F_SAMF401_0
(METHYLTRANSFERASE
NSUN4)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 GLY A1239
LEU A1230
GLY A1438
ASP A1401
PRO A1201
 None
 1.06A 4fp9F-4aygA:
undetectable		 4fp9F-4aygA:
16.08
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.
4K36_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 TYR A1041
GLU A 996
ASN A 999
LEU A1004
ILE A1022
 None
 1.46A 4k36A-4aygA:
undetectable		 4k36A-4aygA:
17.12
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.
4K36_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 TYR A1041
GLU A 996
ASN A 999
LEU A1004
ILE A1022
 None
 1.43A 4k36B-4aygA:
undetectable		 4k36B-4aygA:
17.12
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.
4K37_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 11 TYR A1041
GLU A 996
ASN A 999
LEU A1004
ILE A1022
 None
 1.44A 4k37B-4aygA:
1.8		 4k37B-4aygA:
16.71
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.
4LNX_A_T44A501_1
(THYROID HORMONE
RECEPTOR ALPHA)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 6 SER A1293
GLU A1292
VAL A1279
THR A1252
 GOL  A2776 (-2.8A)
GOL  A2776 ( 4.7A)
None
None
 1.35A 4lnxA-4aygA:
undetectable		 4lnxA-4aygA:
12.49
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.
4LVC_C_ADNC501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 LEU A1768
ASP A1767
ASP A1526
GLY A 976
HIS A1527
 None
None
None
SO4  A2808 (-3.4A)
None
 1.33A 4lvcC-4aygA:
undetectable		 4lvcC-4aygA:
18.86
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.
4P3Q_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 5 ASP A1033
LEU A1034
ARG A1470
THR A1578
 None
 1.46A 4p3qA-4aygA:
undetectable		 4p3qA-4aygA:
9.21
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.
4PEV_B_ADNB501_1
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 SER A1450
ASN A1449
GLY A1482
GLY A1464
ASP A1462
 None
 1.36A 4pevB-4aygA:
undetectable		 4pevB-4aygA:
17.48
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.
4RTB_A_SAMA501_1
(HYDG PROTEIN)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 GLU A1407
ARG A1202
GLN A1140
 None
None
GOL  A2773 ( 4.8A)
 0.86A 4rtbA-4aygA:
3.0		 4rtbA-4aygA:
18.16
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.
4XJE_A_TOYA202_1
(AADB)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 8 ASP A1028
ASP A1069
ASP A1064
ILE A1126
 GOL  A2792 (-3.4A)
GOL  A2792 (-3.7A)
None
None
 0.90A 4xjeA-4aygA:
2.1		 4xjeA-4aygA:
10.90
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.
4XQE_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 ASN A 815
GLU A1517
SER A1623
TYR A 955
THR A1543
 GOL  A2796 (-3.3A)
GOL  A2796 (-3.6A)
None
GOL  A2796 ( 4.5A)
None
 1.32A 4xqeA-4aygA:
undetectable		 4xqeA-4aygA:
18.66
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.
4XQE_B_AG2B504_1
(HOMOSPERMIDINE
SYNTHASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 ASN A 815
GLU A1517
SER A1623
TYR A 955
THR A1543
 GOL  A2796 (-3.3A)
GOL  A2796 (-3.6A)
None
GOL  A2796 ( 4.5A)
None
 1.33A 4xqeB-4aygA:
undetectable		 4xqeB-4aygA:
18.66
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.
4XRG_A_AG2A502_1
(HOMOSPERMIDINE
SYNTHASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 ASN A 815
GLU A1517
SER A1623
TYR A 955
THR A1543
 GOL  A2796 (-3.3A)
GOL  A2796 (-3.6A)
None
GOL  A2796 ( 4.5A)
None
 1.32A 4xrgA-4aygA:
undetectable		 4xrgA-4aygA:
18.66
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.
4XRG_B_AG2B502_1
(HOMOSPERMIDINE
SYNTHASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 ASN A 815
GLU A1517
SER A1623
TYR A 955
THR A1543
 GOL  A2796 (-3.3A)
GOL  A2796 (-3.6A)
None
GOL  A2796 ( 4.5A)
None
 1.32A 4xrgB-4aygA:
undetectable		 4xrgB-4aygA:
18.66
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.
4XUE_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 5 GLY A1548
TYR A1555
GLU A1590
ASP A1469
 None
 1.27A 4xueA-4aygA:
2.1		 4xueA-4aygA:
12.70
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.
4YGF_A_AZMA303_1
(ALPHA-CARBONIC
ANHYDRASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 11 ASN A1253
VAL A1278
VAL A1367
LEU A1229
THR A1232
 None
 1.09A 4ygfA-4aygA:
undetectable		 4ygfA-4aygA:
13.49
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.
4YGF_B_AZMB303_1
(ALPHA-CARBONIC
ANHYDRASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 11 ASN A1253
VAL A1278
VAL A1367
LEU A1229
THR A1232
 None
 1.10A 4ygfB-4aygA:
undetectable		 4ygfB-4aygA:
13.49
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.
4YGF_E_AZME303_1
(ALPHA-CARBONIC
ANHYDRASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 ASN A1253
VAL A1278
VAL A1367
LEU A1229
THR A1232
 None
 1.08A 4ygfE-4aygA:
undetectable		 4ygfE-4aygA:
13.49
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.
4YHA_B_MZMB303_1
(ALPHA-CARBONIC
ANHYDRASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 10 ASN A1253
VAL A1278
VAL A1367
LEU A1229
THR A1232
 None
 1.06A 4yhaB-4aygA:
undetectable		 4yhaB-4aygA:
13.49
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.
4YHA_C_MZMC303_1
(ALPHA-CARBONIC
ANHYDRASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 11 ASN A1253
VAL A1278
VAL A1367
LEU A1229
THR A1232
 None
 1.11A 4yhaC-4aygA:
undetectable		 4yhaC-4aygA:
13.49
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.
4YHA_G_MZMG303_1
(ALPHA-CARBONIC
ANHYDRASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 ASN A1253
VAL A1278
VAL A1367
LEU A1229
THR A1232
 None
 1.12A 4yhaG-4aygA:
undetectable		 4yhaG-4aygA:
13.49
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.
4ZP0_A_DXCA500_0
(MULTIDRUG
TRANSPORTER MDFA)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 10 ASN A1253
MET A1243
LEU A1251
LEU A1108
GLY A1363
 None
 1.20A 4zp0A-4aygA:
undetectable		 4zp0A-4aygA:
16.91
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 8 ASP A1028
ASP A1069
ASP A1064
ILE A1126
 GOL  A2792 (-3.4A)
GOL  A2792 (-3.7A)
None
None
 0.97A 5cfsA-4aygA:
2.0		 5cfsA-4aygA:
10.90
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.
5HM8_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 5 GLU A 841
GLU A 812
THR A 822
LEU A1620
 None
 0.97A 5hm8A-4aygA:
undetectable		 5hm8A-4aygA:
19.31
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.
5HM8_B_ADNB501_2
(ADENOSYLHOMOCYSTEINA
SE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 5 GLU A 841
GLU A 812
THR A 822
LEU A1620
 None
 0.97A 5hm8B-4aygA:
undetectable		 5hm8B-4aygA:
19.31
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.
5HM8_C_ADNC501_2
(ADENOSYLHOMOCYSTEINA
SE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 5 GLU A 841
GLU A 812
THR A 822
LEU A1620
 None
 0.97A 5hm8C-4aygA:
undetectable		 5hm8C-4aygA:
19.31
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.
5HM8_D_ADND501_2
(ADENOSYLHOMOCYSTEINA
SE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 5 GLU A 841
GLU A 812
THR A 822
LEU A1620
 None
 0.97A 5hm8D-4aygA:
undetectable		 5hm8D-4aygA:
19.31
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.
5HM8_E_ADNE501_2
(ADENOSYLHOMOCYSTEINA
SE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 5 GLU A 841
GLU A 812
THR A 822
LEU A1620
 None
 0.97A 5hm8E-4aygA:
undetectable		 5hm8E-4aygA:
19.31
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.
5HM8_F_ADNF501_2
(ADENOSYLHOMOCYSTEINA
SE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 5 GLU A 841
GLU A 812
THR A 822
LEU A1620
 None
 0.97A 5hm8F-4aygA:
undetectable		 5hm8F-4aygA:
19.31
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.
5HM8_G_ADNG501_2
(ADENOSYLHOMOCYSTEINA
SE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 5 GLU A 841
GLU A 812
THR A 822
LEU A1620
 None
 1.14A 5hm8G-4aygA:
2.2		 5hm8G-4aygA:
19.31
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.
5HM8_H_ADNH501_2
(ADENOSYLHOMOCYSTEINA
SE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 5 GLU A 841
GLU A 812
THR A 822
LEU A1620
 None
 0.97A 5hm8H-4aygA:
undetectable		 5hm8H-4aygA:
19.31
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.
5I8F_A_ML1A210_1
(PHENOLIC OXIDATIVE
COUPLING PROTEIN)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 LEU A1230
LEU A1499
TYR A1209
TYR A1215
GLY A1408
 None
 1.33A 5i8fA-4aygA:
undetectable		 5i8fA-4aygA:
10.32
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.
5IKM_A_SAMA311_0
(NS5 METHYL
TRANSFERASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 GLY A1267
GLY A1259
GLY A1239
THR A1268
ASP A1265
 None
 0.93A 5ikmA-4aygA:
undetectable		 5ikmA-4aygA:
13.61
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.
5NJV_C_SAMC301_0
(NS5)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 GLY A1267
GLY A1259
GLY A1239
THR A1268
ASP A1265
 None
 0.90A 5njvC-4aygA:
undetectable		 5njvC-4aygA:
13.32
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.
5UUN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		3 / 3 THR A 914
MET A 916
HIS A 917
 None
 1.02A 5uunA-4aygA:
undetectable		 5uunA-4aygA:
15.21
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.
5V96_A_ADNA502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 LEU A1768
ASP A1767
ASP A1526
GLY A 976
HIS A1527
 None
None
None
SO4  A2808 (-3.4A)
None
 1.35A 5v96A-4aygA:
undetectable		 5v96A-4aygA:
18.38
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.
5V96_B_ADNB502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 LEU A1768
ASP A1767
ASP A1526
GLY A 976
HIS A1527
 None
None
None
SO4  A2808 (-3.4A)
None
 1.34A 5v96B-4aygA:
undetectable		 5v96B-4aygA:
18.38
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.
5V96_C_ADNC502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 LEU A1768
ASP A1767
ASP A1526
GLY A 976
HIS A1527
 None
None
None
SO4  A2808 (-3.4A)
None
 1.35A 5v96C-4aygA:
undetectable		 5v96C-4aygA:
18.38
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.
5V96_D_ADND502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 LEU A1768
ASP A1767
ASP A1526
GLY A 976
HIS A1527
 None
None
None
SO4  A2808 (-3.4A)
None
 1.36A 5v96D-4aygA:
undetectable		 5v96D-4aygA:
18.38
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.
5W4Z_A_RBFA502_1
(RIBOFLAVIN LYASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 ALA A 978
GLY A1528
GLY A1736
PHE A 944
SER A1524
 None
None
GOL  A2778 (-3.7A)
None
None
 0.96A 5w4zA-4aygA:
3.1		 5w4zA-4aygA:
6.04
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.
5YBB_B_SAMB601_1
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		4 / 7 GLY A1605
GLY A1607
GLU A 931
ASN A1600
 None
 0.77A 5ybbB-4aygA:
undetectable		 5ybbB-4aygA:
18.56
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 TYR A1465
LEU A 981
ASP A1025
HIS A1135
ASP A1136
 GOL  A2773 ( 4.1A)
None
GOL  A2773 ( 2.9A)
None
GOL  A2791 (-4.3A)
 0.79A 6ag0A-4aygA:
11.6		 6ag0A-4aygA:
6.70
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.
6APH_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 LEU A1768
ASP A1767
ASP A1526
GLY A 976
HIS A1527
 None
None
None
SO4  A2808 (-3.4A)
None
 1.33A 6aphA-4aygA:
undetectable		 6aphA-4aygA:
18.32
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.
6GBN_A_ADNA501_1
(-)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 LEU A1768
ASP A1767
ASP A1526
GLY A 976
HIS A1527
 None
None
None
SO4  A2808 (-3.4A)
None
 1.33A 6gbnA-4aygA:
undetectable		 6gbnA-4aygA:
17.93
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.
6GBN_B_ADNB501_1
(-)		 4ayg GLUCANSUCRASE
(Lactobacillus
reuteri) 		5 / 12 LEU A1768
ASP A1767
ASP A1526
GLY A 976
HIS A1527
 None
None
None
SO4  A2808 (-3.4A)
None
 1.34A 6gbnB-4aygA:
undetectable		 6gbnB-4aygA:
17.93