SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'QPS'


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.
1IA0_B_TXLB502_1
(TUBULIN BETA CHAIN)		 6gnf -
(-) 		5 / 12 ASP A 111
LEU A  20
PHE A  45
THR A  17
GLY A 102
 None
QPS  A 602 (-4.3A)
None
QPS  A 602 (-3.2A)
None
 1.20A 1ia0B-6gnfA:
3.9		 1ia0B-6gnfA:
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		 6gng -
(-) 		5 / 12 ILE A 291
ASN A 200
LEU A 256
ASN A 301
VAL A  41
 None
QPS  A 601 (-4.2A)
None
QPS  A 601 (-3.2A)
None
 1.49A 1mrlB-6gngA:
undetectable
1mrlC-6gngA:
undetectable		 1mrlB-6gngA:
undetectable
1mrlC-6gngA:
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		7 / 12 TYR A 100
HIS A 140
ARG A 227
ASP A 229
LYS A 232
HIS A 327
ASP A 328
 QPS  A1001 (-2.9A)
QPS  A1001 ( 4.3A)
QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 4.1A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.79A 1mxdA-1dedA:
30.7		 1mxdA-1dedA:
23.17
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		5 / 12 LEU A 688
GLU A 215
SER A 648
ARG A 649
THR A 555
 None
None
None
QPS  A1050 (-3.2A)
None
 1.18A 1n5xA-2x2iA:
undetectable		 1n5xA-2x2iA:
20.33
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.
1N5X_B_TEIB4006_1
(XANTHINE
DEHYDROGENASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		5 / 12 LEU A 688
GLU A 215
SER A 648
ARG A 649
THR A 555
 None
None
None
QPS  A1050 (-3.2A)
None
 1.18A 1n5xB-2x2iA:
undetectable		 1n5xB-2x2iA:
20.33
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.
1TUB_B_TXLB501_1
(TUBULIN)		 6gnf -
(-) 		5 / 12 ASP A 111
LEU A  20
PHE A  45
THR A  17
GLY A 102
 None
QPS  A 602 (-4.3A)
None
QPS  A 602 (-3.2A)
None
 1.20A 1tubB-6gnfA:
4.3		 1tubB-6gnfA:
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.
1UW6_A_NCTA1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 6gnf -
(-) 		4 / 8 TYR A 512
TRP A 505
CYH A 416
LEU A 421
 None
None
QPS  A 602 (-4.9A)
None
 1.43A 1uw6A-6gnfA:
undetectable
1uw6B-6gnfA:
undetectable		 1uw6A-6gnfA:
undetectable
1uw6B-6gnfA:
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.
1UW6_A_NCTA1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 6gng -
(-) 		4 / 8 TYR A 532
TRP A 525
CYH A 436
LEU A 441
 None
None
QPS  A 601 (-4.8A)
None
 1.44A 1uw6A-6gngA:
undetectable
1uw6B-6gngA:
undetectable		 1uw6A-6gngA:
undetectable
1uw6B-6gngA:
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.
1UW6_D_NCTD1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 6gnf -
(-) 		4 / 8 TYR A 512
TRP A 505
CYH A 416
LEU A 421
 None
None
QPS  A 602 (-4.9A)
None
 1.39A 1uw6D-6gnfA:
undetectable
1uw6E-6gnfA:
undetectable		 1uw6D-6gnfA:
undetectable
1uw6E-6gnfA:
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.
1UW6_D_NCTD1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 6gng -
(-) 		4 / 8 TYR A 532
TRP A 525
CYH A 436
LEU A 441
 None
None
QPS  A 601 (-4.8A)
None
 1.40A 1uw6D-6gngA:
undetectable
1uw6E-6gngA:
undetectable		 1uw6D-6gngA:
undetectable
1uw6E-6gngA:
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.
1UW6_G_NCTG1206_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 6gnf -
(-) 		4 / 8 TYR A 512
TRP A 505
CYH A 416
LEU A 421
 None
None
QPS  A 602 (-4.9A)
None
 1.39A 1uw6G-6gnfA:
undetectable
1uw6H-6gnfA:
undetectable		 1uw6G-6gnfA:
undetectable
1uw6H-6gnfA:
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.
1UW6_G_NCTG1206_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 6gng -
(-) 		4 / 8 TYR A 532
TRP A 525
CYH A 436
LEU A 441
 None
None
QPS  A 601 (-4.8A)
None
 1.40A 1uw6G-6gngA:
undetectable
1uw6H-6gngA:
undetectable		 1uw6G-6gngA:
undetectable
1uw6H-6gngA:
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.
1UW6_P_NCTP1206_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 6gnf -
(-) 		4 / 8 TYR A 512
TRP A 505
CYH A 416
LEU A 421
 None
None
QPS  A 602 (-4.9A)
None
 1.44A 1uw6P-6gnfA:
undetectable
1uw6Q-6gnfA:
undetectable		 1uw6P-6gnfA:
undetectable
1uw6Q-6gnfA:
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.
1UW6_P_NCTP1206_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 6gng -
(-) 		4 / 8 TYR A 532
TRP A 525
CYH A 436
LEU A 441
 None
None
QPS  A 601 (-4.8A)
None
 1.46A 1uw6P-6gngA:
undetectable
1uw6Q-6gngA:
undetectable		 1uw6P-6gngA:
undetectable
1uw6Q-6gngA:
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.
1UW6_T_NCTT1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 6gnf -
(-) 		4 / 8 LEU A 421
TYR A 512
TRP A 505
CYH A 416
 None
None
None
QPS  A 602 (-4.9A)
 1.41A 1uw6P-6gnfA:
undetectable
1uw6T-6gnfA:
undetectable		 1uw6P-6gnfA:
undetectable
1uw6T-6gnfA:
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.
1UW6_T_NCTT1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 6gng -
(-) 		4 / 8 LEU A 441
TYR A 532
TRP A 525
CYH A 436
 None
None
None
QPS  A 601 (-4.8A)
 1.44A 1uw6P-6gngA:
undetectable
1uw6T-6gngA:
undetectable		 1uw6P-6gngA:
undetectable
1uw6T-6gngA:
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.
2ECP_A_ACRA992_1
(MALTODEXTRIN
PHOSPHORYLASE)		 6gnf -
(-) 		6 / 10 LEU A  20
TYR A 101
ASP A 108
ASP A 151
HIS A 153
ARG A 338
 QPS  A 602 (-4.3A)
QPS  A 602 (-3.9A)
QPS  A 602 ( 2.5A)
QPS  A 602 (-3.3A)
QPS  A 602 (-3.9A)
ADP  A 601 ( 4.1A)
 0.97A 2ecpA-6gnfA:
23.4		 2ecpA-6gnfA:
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.
2ECP_A_ACRA992_1
(MALTODEXTRIN
PHOSPHORYLASE)		 6gng -
(-) 		5 / 10 LEU A  38
TYR A 120
ASP A 127
ASP A 169
ARG A 356
 QPS  A 601 (-4.1A)
QPS  A 601 (-4.4A)
QPS  A 601 (-2.9A)
QPS  A 601 (-3.3A)
ADP  A 602 ( 3.6A)
 0.99A 2ecpA-6gngA:
22.5		 2ecpA-6gngA:
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.
2ECP_A_ACRA992_1
(MALTODEXTRIN
PHOSPHORYLASE)		 6gng -
(-) 		5 / 10 LEU A  38
TYR A 120
ASP A 169
HIS A 171
ARG A 356
 QPS  A 601 (-4.1A)
QPS  A 601 (-4.4A)
QPS  A 601 (-3.3A)
QPS  A 601 (-4.2A)
ADP  A 602 ( 3.6A)
 0.88A 2ecpA-6gngA:
22.5		 2ecpA-6gngA:
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.
2ECP_B_ACRB992_1
(MALTODEXTRIN
PHOSPHORYLASE)		 6gnf -
(-) 		6 / 10 LEU A  20
TYR A 101
ASP A 108
ASP A 151
HIS A 153
ARG A 338
 QPS  A 602 (-4.3A)
QPS  A 602 (-3.9A)
QPS  A 602 ( 2.5A)
QPS  A 602 (-3.3A)
QPS  A 602 (-3.9A)
ADP  A 601 ( 4.1A)
 0.91A 2ecpB-6gnfA:
23.3		 2ecpB-6gnfA:
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.
2ECP_B_ACRB992_1
(MALTODEXTRIN
PHOSPHORYLASE)		 6gng -
(-) 		5 / 10 LEU A  38
TYR A 120
ASP A 127
ASP A 169
ARG A 356
 QPS  A 601 (-4.1A)
QPS  A 601 (-4.4A)
QPS  A 601 (-2.9A)
QPS  A 601 (-3.3A)
ADP  A 602 ( 3.6A)
 0.94A 2ecpB-6gngA:
22.5		 2ecpB-6gngA:
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.
2ECP_B_ACRB992_1
(MALTODEXTRIN
PHOSPHORYLASE)		 6gng -
(-) 		5 / 10 LEU A  38
TYR A 120
ASP A 169
HIS A 171
ARG A 356
 QPS  A 601 (-4.1A)
QPS  A 601 (-4.4A)
QPS  A 601 (-3.3A)
QPS  A 601 (-4.2A)
ADP  A 602 ( 3.6A)
 0.87A 2ecpB-6gngA:
22.5		 2ecpB-6gngA:
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.
2OKC_A_SAMA500_0
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 6gng -
(-) 		5 / 12 GLY A 121
GLY A 125
THR A 115
SER A  27
PHE A 135
 None
QPS  A 601 (-3.4A)
None
None
None
 1.06A 2okcA-6gngA:
undetectable		 2okcA-6gngA:
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.
2Q63_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		3 / 3 ASP A 553
ASN A 459
THR A 375
 QPS  A1050 (-3.1A)
QPS  A1050 (-3.9A)
None
 0.69A 2q63B-2x2iA:
undetectable		 2q63B-2x2iA:
7.71
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.
2QAK_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		3 / 3 ARG A 649
THR A 591
VAL A 556
 QPS  A1050 (-3.2A)
None
None
 0.97A 2qakA-2x2iA:
undetectable		 2qakA-2x2iA:
7.71
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.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		8 / 12 ASP A 239
ASN A 244
ASP A 412
ASP A 553
ARG A 649
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-2.5A)
None
QPS  A1050 (-3.2A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.88A 2qmjA-2x2iA:
33.5		 2qmjA-2x2iA:
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
ASN A 233
HIS A 327
ASP A 328
 QPS  A1001 (-3.2A)
QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 3.0A)
QPS  A1001 ( 3.4A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.84A 3aicA-1dedA:
7.8		 3aicA-1dedA:
23.55
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
ASN A 233
HIS A 327
ASP A 328
 QPS  A1001 (-3.2A)
QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 3.0A)
QPS  A1001 ( 3.4A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.86A 3aicB-1dedA:
9.6		 3aicB-1dedA:
23.55
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		6 / 12 ARG A 227
ASP A 229
ALA A 230
ASN A 233
HIS A 327
ASP A 328
 QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 3.0A)
QPS  A1001 ( 3.4A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.76A 3aicC-1dedA:
3.9		 3aicC-1dedA:
23.55
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		6 / 12 ARG A 227
ASP A 229
ALA A 230
ASN A 233
HIS A 327
TYR A 100
 QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 3.0A)
QPS  A1001 ( 3.4A)
QPS  A1001 (-3.6A)
QPS  A1001 (-2.9A)
 0.72A 3aicC-1dedA:
3.9		 3aicC-1dedA:
23.55
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
ASN A 233
HIS A 327
ASP A 328
 QPS  A1001 (-3.2A)
QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 3.0A)
QPS  A1001 ( 3.4A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.89A 3aicD-1dedA:
7.5		 3aicD-1dedA:
23.55
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
ASN A 233
HIS A 327
ASP A 328
 QPS  A1001 (-3.2A)
QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 3.0A)
QPS  A1001 ( 3.4A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.89A 3aicE-1dedA:
5.2		 3aicE-1dedA:
23.55
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
ASN A 233
HIS A 327
ASP A 328
 QPS  A1001 (-3.2A)
QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 3.0A)
QPS  A1001 ( 3.4A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.88A 3aicF-1dedA:
5.9		 3aicF-1dedA:
23.55
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
ASN A 233
HIS A 327
ASP A 328
 QPS  A1001 (-3.2A)
QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 3.0A)
QPS  A1001 ( 3.4A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.88A 3aicG-1dedA:
4.2		 3aicG-1dedA:
23.55
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		7 / 12 LEU A 194
ARG A 227
ASP A 229
ALA A 230
ASN A 233
HIS A 327
ASP A 328
 QPS  A1001 (-3.2A)
QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 3.0A)
QPS  A1001 ( 3.4A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.92A 3aicH-1dedA:
3.5		 3aicH-1dedA:
23.55
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.
3CZV_B_AZMB263_1
(CARBONIC ANHYDRASE
13)		 6gnf -
(-) 		5 / 10 HIS A 181
VAL A 148
LEU A  27
THR A  24
VAL A  23
 QPS  A 602 (-4.1A)
None
None
None
None
 1.30A 3czvB-6gnfA:
undetectable		 3czvB-6gnfA:
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.
3IB2_A_IBPA3960_1
(LACTOTRANSFERRIN)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		4 / 4 GLY A 514
VAL A 517
GLY A 374
THR A 375
 QPS  A1050 ( 4.0A)
None
None
None
 0.92A 3ib2A-2x2iA:
undetectable		 3ib2A-2x2iA:
15.58
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.
3L4W_A_MIGA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		8 / 12 ASP A 412
TRP A 551
ASP A 553
MET A 554
TRP A 662
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 (-4.6A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.51A 3l4wA-2x2iA:
33.4		 3l4wA-2x2iA:
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.
3MB5_A_SAMA301_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 6gnf -
(-) 		4 / 4 GLY A  21
GLU A  10
ASP A 151
ASP A  22
 None
QPS  A 602 ( 4.5A)
QPS  A 602 (-3.3A)
ADP  A 601 ( 4.6A)
 0.89A 3mb5A-6gnfA:
4.2		 3mb5A-6gnfA:
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.
3OI8_A_ADNA2_1
(UNCHARACTERIZED
PROTEIN)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		4 / 6 HIS A  98
PRO A 143
LEU A 197
ASP A 229
 QPS  A1001 ( 2.9A)
None
QPS  A1001 (-3.7A)
QPS  A1001 (-2.7A)
 1.26A 3oi8A-1dedA:
undetectable		 3oi8A-1dedA:
11.28
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.
3PHA_A_ACRA701_1
(ALPHA-GLUCOSIDASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		8 / 12 ASP A 239
ASP A 412
ASP A 553
ARG A 649
TRP A 662
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-2.5A)
QPS  A1050 (-3.2A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-4.6A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.50A 3phaA-2x2iA:
26.9		 3phaA-2x2iA:
24.25
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.
3PHA_B_ACRB701_1
(ALPHA-GLUCOSIDASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		7 / 12 ASP A 239
ASP A 412
ASP A 553
ARG A 649
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-2.5A)
QPS  A1050 (-3.2A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.49A 3phaB-2x2iA:
31.4		 3phaB-2x2iA:
24.25
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.
3PHA_C_ACRC701_1
(ALPHA-GLUCOSIDASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		8 / 12 ASP A 239
ASP A 412
ASP A 553
ARG A 649
TRP A 662
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-2.5A)
QPS  A1050 (-3.2A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-4.6A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.47A 3phaC-2x2iA:
35.0		 3phaC-2x2iA:
24.25
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.
3PHA_D_ACRD701_1
(ALPHA-GLUCOSIDASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		8 / 12 ASP A 239
ASP A 412
ASP A 553
MET A 554
ARG A 649
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-2.5A)
QPS  A1050 (-3.2A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.40A 3phaD-2x2iA:
35.1		 3phaD-2x2iA:
24.25
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.
3POC_A_ACRA664_1
(ALPHA-GLUCOSIDASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		7 / 12 ASP A 412
MET A 554
ARG A 649
TRP A 662
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-3.2A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-4.6A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.41A 3pocA-2x2iA:
35.1		 3pocA-2x2iA:
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.
3POC_B_ACRB664_1
(ALPHA-GLUCOSIDASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		7 / 12 ASP A 412
MET A 554
ARG A 649
TRP A 662
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-3.2A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-4.6A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.38A 3pocB-2x2iA:
32.8		 3pocB-2x2iA:
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_A_ACRA1_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		8 / 12 ASP A 239
ASP A 412
ASP A 553
MET A 554
ARG A 649
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-2.5A)
QPS  A1050 (-3.2A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.55A 3topA-2x2iA:
32.8		 3topA-2x2iA:
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.
3TOP_B_ACRB1_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		9 / 12 ASP A 239
ASP A 412
ASP A 553
MET A 554
LYS A 590
ARG A 649
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-2.5A)
QPS  A1050 (-3.2A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.1A)
QPS  A1050 ( 4.0A)
QPS  A1050 (-3.2A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.54A 3topB-2x2iA:
32.8		 3topB-2x2iA:
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.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		5 / 12 ASP A 239
ASN A 242
ASP A 553
MET A 554
ARG A 649
 QPS  A1050 (-2.5A)
None
QPS  A1050 (-3.1A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
 1.12A 3w37A-2x2iA:
32.7		 3w37A-2x2iA:
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.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		9 / 12 ASP A 239
ASN A 244
ASP A 412
ASP A 553
MET A 554
ARG A 649
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-2.5A)
None
QPS  A1050 (-3.2A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.66A 3w37A-2x2iA:
32.7		 3w37A-2x2iA:
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.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		9 / 12 ASP A 239
ASP A 412
TRP A 551
ASP A 553
MET A 554
ARG A 649
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-2.5A)
QPS  A1050 (-3.2A)
QPS  A1050 (-4.8A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.53A 3w37A-2x2iA:
32.7		 3w37A-2x2iA:
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.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		6 / 12 ASN A 244
ASP A 412
ASP A 553
ASP A 665
PHE A 698
HIS A 731
 None
QPS  A1050 (-3.2A)
QPS  A1050 (-3.1A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.71A 3welA-2x2iA:
32.8		 3welA-2x2iA:
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.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		8 / 12 ASP A 239
ASP A 412
TRP A 551
ASP A 553
ARG A 649
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-2.5A)
QPS  A1050 (-3.2A)
QPS  A1050 (-4.8A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.56A 3welA-2x2iA:
32.8		 3welA-2x2iA:
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.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		5 / 12 ASP A 239
ASN A 242
ASP A 553
MET A 554
ARG A 649
 QPS  A1050 (-2.5A)
None
QPS  A1050 (-3.1A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
 1.12A 3wemA-2x2iA:
32.5		 3wemA-2x2iA:
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.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		9 / 12 ASP A 239
ASN A 244
ASP A 412
ASP A 553
MET A 554
ARG A 649
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-2.5A)
None
QPS  A1050 (-3.2A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.65A 3wemA-2x2iA:
32.5		 3wemA-2x2iA:
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.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		5 / 12 ASP A 239
ASN A 242
ASP A 553
MET A 554
ARG A 649
 QPS  A1050 (-2.5A)
None
QPS  A1050 (-3.1A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
 1.16A 3wenA-2x2iA:
32.5		 3wenA-2x2iA:
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.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		10 / 12 ASP A 239
ASN A 244
ASP A 412
TRP A 551
ASP A 553
MET A 554
ARG A 649
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-2.5A)
None
QPS  A1050 (-3.2A)
QPS  A1050 (-4.8A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.72A 3wenA-2x2iA:
32.5		 3wenA-2x2iA:
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.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		8 / 12 ASP A 239
ASN A 244
ASP A 412
ASP A 553
ARG A 649
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-2.5A)
None
QPS  A1050 (-3.2A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.70A 3weoA-2x2iA:
34.9		 3weoA-2x2iA:
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.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		8 / 12 ASP A 239
ASP A 412
TRP A 551
ASP A 553
ARG A 649
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-2.5A)
QPS  A1050 (-3.2A)
QPS  A1050 (-4.8A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.57A 3weoA-2x2iA:
34.9		 3weoA-2x2iA:
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.
4B9Z_A_ACRA1818_1
(ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		6 / 12 ASP A 412
ASP A 553
ARG A 649
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-3.2A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.37A 4b9zA-2x2iA:
32.4		 4b9zA-2x2iA:
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.
5DZK_O_BEZO801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 6gng -
(-) 		4 / 6 SER A  27
HIS A 171
MET A 138
LEU A 119
 None
QPS  A 601 (-4.2A)
None
None
 1.10A 5dzka-6gngA:
undetectable
5dzko-6gngA:
undetectable		 5dzka-6gngA:
undetectable
5dzko-6gngA:
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.
5DZK_P_BEZP801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 6gng -
(-) 		4 / 6 SER A  27
HIS A 171
MET A 138
LEU A 119
 None
QPS  A 601 (-4.2A)
None
None
 1.27A 5dzkB-6gngA:
3.2
5dzkP-6gngA:
undetectable		 5dzkB-6gngA:
undetectable
5dzkP-6gngA:
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.
5ESG_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 6gng -
(-) 		5 / 12 GLU A 434
VAL A 452
GLY A 408
THR A 410
LEU A 357
 QPS  A 601 ( 3.7A)
None
None
None
None
 1.10A 5esgA-6gngA:
undetectable		 5esgA-6gngA:
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.
5IEF_A_NBVA1005_1
(NEUTRAL
ALPHA-GLUCOSIDASE AB)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		7 / 12 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.
5IEF_A_NBVA1005_2
(NEUTRAL
ALPHA-GLUCOSIDASE AB)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		4 / 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.
5M8R_C_MMSC516_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 6gnf -
(-) 		4 / 8 HIS A 181
LEU A 278
GLY A 280
VAL A 251
 QPS  A 602 (-4.1A)
None
None
QPS  A 602 ( 4.6A)
 0.83A 5m8rC-6gnfA:
undetectable		 5m8rC-6gnfA:
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.
5NN6_A_MIGA1013_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		8 / 12 ASP A 412
TRP A 551
ASP A 553
MET A 554
TRP A 662
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 (-4.6A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.70A 5nn6A-2x2iA:
2.2		 5nn6A-2x2iA:
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.
5NN8_A_ACRA1015_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		8 / 12 ASP A 239
ASP A 412
TRP A 551
ASP A 553
ARG A 649
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-2.5A)
QPS  A1050 (-3.2A)
QPS  A1050 (-4.8A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.60A 5nn8A-2x2iA:
37.0		 5nn8A-2x2iA:
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.
5OGJ_A_ACTA307_0
(CARBONIC ANHYDRASE
13)		 6gnf -
(-) 		4 / 6 HIS A 181
VAL A 148
LEU A  27
THR A  24
 QPS  A 602 (-4.1A)
None
None
None
 0.89A 5ogjA-6gnfA:
undetectable		 5ogjA-6gnfA:
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.
5OGJ_B_ACTB305_0
(CARBONIC ANHYDRASE
13)		 6gnf -
(-) 		4 / 6 HIS A 181
VAL A 148
LEU A  27
THR A  24
 QPS  A 602 (-4.1A)
None
None
None
 0.88A 5ogjB-6gnfA:
undetectable		 5ogjB-6gnfA:
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.
5OHH_A_ACTA307_0
(CARBONIC ANHYDRASE
13)		 6gnf -
(-) 		4 / 5 HIS A 181
VAL A 148
LEU A  27
THR A  24
 QPS  A 602 (-4.1A)
None
None
None
 0.88A 5ohhA-6gnfA:
undetectable		 5ohhA-6gnfA:
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.
5OHH_B_ACTB311_0
(CARBONIC ANHYDRASE
13)		 6gnf -
(-) 		4 / 6 HIS A 181
VAL A 148
LEU A  27
THR A  24
 QPS  A 602 (-4.1A)
None
None
None
 0.89A 5ohhB-6gnfA:
undetectable		 5ohhB-6gnfA:
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.
5VNC_C_GCSC801_1
(GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2)		 6gnf -
(-) 		8 / 10 GLY A  19
HIS A 181
VAL A 251
ASN A 283
LYS A 343
GLU A 414
PRO A 415
GLY A 417
 ADP  A 601 ( 3.3A)
QPS  A 602 (-4.1A)
QPS  A 602 ( 4.6A)
QPS  A 602 (-3.4A)
ADP  A 601 (-2.8A)
QPS  A 602 (-3.6A)
QPS  A 602 (-3.6A)
QPS  A 602 (-3.7A)
 0.48A 5vncC-6gnfA:
21.5		 5vncC-6gnfA:
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.
5VNC_C_GCSC801_1
(GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2)		 6gng -
(-) 		5 / 10 ARG A 356
ASN A 301
LYS A 361
GLU A 434
GLY A 437
 ADP  A 602 ( 3.6A)
QPS  A 601 (-3.2A)
ADP  A 602 (-2.8A)
QPS  A 601 ( 3.7A)
ADP  A 602 ( 3.6A)
 1.36A 5vncC-6gngA:
21.8		 5vncC-6gngA:
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.
5VNC_C_GCSC801_1
(GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2)		 6gng -
(-) 		8 / 10 GLY A  37
HIS A 199
VAL A 269
ASN A 301
LYS A 361
GLU A 434
PRO A 435
GLY A 437
 ADP  A 602 ( 3.4A)
QPS  A 601 (-4.4A)
QPS  A 601 ( 4.7A)
QPS  A 601 (-3.2A)
ADP  A 602 (-2.8A)
QPS  A 601 ( 3.7A)
QPS  A 601 (-3.9A)
ADP  A 602 ( 3.6A)
 0.72A 5vncC-6gngA:
21.8		 5vncC-6gngA:
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.
5X7P_A_ACRA1401_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		7 / 10 TRP A 551
ASP A 553
ARG A 649
TRP A 662
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-4.8A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-4.6A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.37A 5x7pA-2x2iA:
25.7		 5x7pA-2x2iA:
22.41
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.
5XIP_A_HFGA1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 6gnf -
(-) 		5 / 12 VAL A  79
THR A  24
HIS A 181
THR A  17
GLY A  18
 None
None
QPS  A 602 (-4.1A)
QPS  A 602 (-3.2A)
ADP  A 601 ( 3.8A)
 1.17A 5xipA-6gnfA:
2.8		 5xipA-6gnfA:
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.
5XIP_C_HFGC1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 6gnf -
(-) 		5 / 12 VAL A  79
THR A  24
HIS A 181
THR A  17
GLY A  18
 None
None
QPS  A 602 (-4.1A)
QPS  A 602 (-3.2A)
ADP  A 601 ( 3.8A)
 1.15A 5xipC-6gnfA:
3.0		 5xipC-6gnfA:
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.
5XIQ_D_HFGD1002_1
(PROLYL-TRNA
SYNTHETASE (PRORS))		 6gnf -
(-) 		3 / 3 THR A  17
GLU A  10
HIS A 153
 QPS  A 602 (-3.2A)
QPS  A 602 ( 4.5A)
QPS  A 602 (-3.9A)
 0.90A 5xiqD-6gnfA:
3.0		 5xiqD-6gnfA:
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.
5XIQ_D_HFGD1002_1
(PROLYL-TRNA
SYNTHETASE (PRORS))		 6gng -
(-) 		3 / 3 THR A  35
GLU A  28
HIS A 171
 QPS  A 601 ( 3.0A)
QPS  A 601 ( 4.1A)
QPS  A 601 (-4.2A)
 0.91A 5xiqD-6gngA:
3.4		 5xiqD-6gngA:
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		7 / 12 TYR A 100
HIS A 140
LEU A 194
ASP A 229
LYS A 232
HIS A 327
ASP A 328
 QPS  A1001 (-2.9A)
QPS  A1001 ( 4.3A)
QPS  A1001 (-3.2A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 4.1A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.93A 6ag0A-1dedA:
25.9		 6ag0A-1dedA:
9.06
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_C_ACRC608_0
(ALPHA-AMYLASE)		 1ded CYCLODEXTRIN
GLUCANOTRANSFERASE
(Bacillus
sp.
1011) 		5 / 12 LEU A 194
ASP A 229
LYS A 232
HIS A 327
ASP A 328
 QPS  A1001 (-3.2A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 4.1A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.87A 6ag0C-1dedA:
26.0		 6ag0C-1dedA:
9.06
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.
6C2M_A_SUEA1202_0
(NS3 PROTEASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		5 / 12 HIS A 731
VAL A 663
ILE A 395
GLY A 374
ALA A 410
 QPS  A1050 (-4.3A)
None
None
None
None
 1.04A 6c2mA-2x2iA:
undetectable		 6c2mA-2x2iA:
6.35
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.
6C2M_B_SUEB1202_0
(NS3 PROTEASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		5 / 12 HIS A 731
VAL A 663
ILE A 395
GLY A 374
ALA A 410
 QPS  A1050 (-4.3A)
None
None
None
None
 1.07A 6c2mB-2x2iA:
undetectable		 6c2mB-2x2iA:
6.35
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.
6C71_B_NCTB501_1
(AMINE OXIDASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		4 / 8 LEU A 622
TRP A 535
THR A 626
ASN A 459
 None
None
None
QPS  A1050 (-3.9A)
 1.24A 6c71B-2x2iA:
undetectable		 6c71B-2x2iA:
5.84
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.
6C9X_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		7 / 12 ASP A 239
ASP A 553
MET A 554
ARG A 649
TRP A 662
PHE A 698
HIS A 731
 QPS  A1050 (-2.5A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-4.6A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.53A 6c9xA-2x2iA:
31.2		 6c9xA-2x2iA:
24.25
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.
6C9X_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		7 / 12 ASP A 239
ASP A 553
MET A 554
ARG A 649
TRP A 662
PHE A 698
HIS A 731
 QPS  A1050 (-2.5A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-4.6A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.54A 6c9xB-2x2iA:
33.4		 6c9xB-2x2iA:
24.25
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.
6C9Z_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		7 / 12 ASP A 553
MET A 554
ARG A 649
TRP A 662
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-3.1A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-4.6A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.36A 6c9zA-2x2iA:
30.3		 6c9zA-2x2iA:
24.25
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.
6C9Z_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		7 / 12 ASP A 239
ASP A 553
MET A 554
ARG A 649
TRP A 662
PHE A 698
HIS A 731
 QPS  A1050 (-2.5A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-4.6A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.50A 6c9zB-2x2iA:
31.1		 6c9zB-2x2iA:
24.25
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.
6CA1_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		8 / 12 ASP A 412
ASP A 553
MET A 554
ARG A 649
TRP A 662
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-3.2A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-4.6A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.41A 6ca1A-2x2iA:
35.0		 6ca1A-2x2iA:
6.45
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.
6CA1_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		8 / 12 ASP A 412
ASP A 553
MET A 554
ARG A 649
TRP A 662
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-3.2A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-4.6A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.38A 6ca1B-2x2iA:
36.3		 6ca1B-2x2iA:
6.45
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.
6CA3_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		8 / 12 ASP A 412
ASP A 553
MET A 554
ARG A 649
TRP A 662
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-3.2A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-4.6A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.38A 6ca3A-2x2iA:
31.1		 6ca3A-2x2iA:
6.45
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.
6CA3_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		8 / 12 ASP A 412
ASP A 553
MET A 554
ARG A 649
TRP A 662
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-3.2A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-4.6A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.39A 6ca3B-2x2iA:
30.9		 6ca3B-2x2iA:
6.45
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.
6GNE_A_ACRA602_1
(-)		 6gnf -
(-) 		11 / 12 GLY A  18
GLY A  19
VAL A  23
ASP A 151
VAL A 251
ASN A 283
ARG A 338
GLN A 342
PRO A 415
CYH A 416
GLY A 417
 ADP  A 601 ( 3.8A)
ADP  A 601 ( 3.3A)
None
QPS  A 602 (-3.3A)
QPS  A 602 ( 4.6A)
QPS  A 602 (-3.4A)
ADP  A 601 ( 4.1A)
QPS  A 602 (-3.2A)
QPS  A 602 (-3.6A)
QPS  A 602 (-4.9A)
QPS  A 602 (-3.7A)
 0.42A 6gneA-6gnfA:
42.1		 6gneA-6gnfA:
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.
6GNE_A_ACRA602_1
(-)		 6gng -
(-) 		11 / 12 GLY A  36
GLY A  37
VAL A  41
ASP A 169
VAL A 269
ASN A 301
ARG A 356
GLN A 360
PRO A 435
CYH A 436
GLY A 437
 ADP  A 602 ( 3.5A)
ADP  A 602 ( 3.4A)
None
QPS  A 601 (-3.3A)
QPS  A 601 ( 4.7A)
QPS  A 601 (-3.2A)
ADP  A 602 ( 3.6A)
QPS  A 601 (-3.2A)
QPS  A 601 (-3.9A)
QPS  A 601 (-4.8A)
ADP  A 602 ( 3.6A)
 0.48A 6gneA-6gngA:
42.2		 6gneA-6gngA:
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.
6GNE_A_ACRA602_2
(-)		 6gnf -
(-) 		5 / 6 TYR A 101
TRP A 152
HIS A 181
ASN A 182
GLU A 414
 QPS  A 602 (-3.9A)
SO4  A 606 ( 3.3A)
QPS  A 602 (-4.1A)
QPS  A 602 (-4.4A)
QPS  A 602 (-3.6A)
 0.61A 6gneA-6gnfA:
42.1		 6gneA-6gnfA:
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.
6GNE_A_ACRA602_2
(-)		 6gng -
(-) 		6 / 6 TYR A 120
TRP A 170
HIS A 199
ASN A 200
TYR A 203
GLU A 434
 QPS  A 601 (-4.4A)
QPS  A 601 (-4.2A)
QPS  A 601 (-4.4A)
QPS  A 601 (-4.2A)
QPS  A 601 (-3.9A)
QPS  A 601 ( 3.7A)
 0.57A 6gneA-6gngA:
42.2		 6gneA-6gngA:
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.
6GNE_B_ACRB602_1
(-)		 6gnf -
(-) 		5 / 12 GLU A  10
GLY A  18
ASP A 151
ARG A 338
GLN A 342
 QPS  A 602 ( 4.5A)
ADP  A 601 ( 3.8A)
QPS  A 602 (-3.3A)
ADP  A 601 ( 4.1A)
QPS  A 602 (-3.2A)
 1.16A 6gneB-6gnfA:
41.8		 6gneB-6gnfA:
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.
6GNE_B_ACRB602_1
(-)		 6gnf -
(-) 		11 / 12 GLU A  10
GLY A  18
GLY A  19
VAL A  23
ASP A 151
VAL A 251
ASN A 283
ARG A 338
GLN A 342
PRO A 415
GLY A 417
 QPS  A 602 ( 4.5A)
ADP  A 601 ( 3.8A)
ADP  A 601 ( 3.3A)
None
QPS  A 602 (-3.3A)
QPS  A 602 ( 4.6A)
QPS  A 602 (-3.4A)
ADP  A 601 ( 4.1A)
QPS  A 602 (-3.2A)
QPS  A 602 (-3.6A)
QPS  A 602 (-3.7A)
 0.42A 6gneB-6gnfA:
41.8		 6gneB-6gnfA:
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.
6GNE_B_ACRB602_1
(-)		 6gng -
(-) 		11 / 12 GLU A  28
GLY A  36
GLY A  37
VAL A  41
ASP A 169
VAL A 269
ASN A 301
ARG A 356
GLN A 360
PRO A 435
GLY A 437
 QPS  A 601 ( 4.1A)
ADP  A 602 ( 3.5A)
ADP  A 602 ( 3.4A)
None
QPS  A 601 (-3.3A)
QPS  A 601 ( 4.7A)
QPS  A 601 (-3.2A)
ADP  A 602 ( 3.6A)
QPS  A 601 (-3.2A)
QPS  A 601 (-3.9A)
ADP  A 602 ( 3.6A)
 0.49A 6gneB-6gngA:
41.9		 6gneB-6gngA:
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.
6GNE_B_ACRB602_2
(-)		 6gnf -
(-) 		6 / 8 TYR A 101
TRP A 152
HIS A 181
ASN A 182
GLU A 414
CYH A 416
 QPS  A 602 (-3.9A)
SO4  A 606 ( 3.3A)
QPS  A 602 (-4.1A)
QPS  A 602 (-4.4A)
QPS  A 602 (-3.6A)
QPS  A 602 (-4.9A)
 0.63A 6gneB-6gnfA:
41.8		 6gneB-6gnfA:
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.
6GNE_B_ACRB602_2
(-)		 6gng -
(-) 		7 / 8 TYR A 120
TRP A 170
HIS A 199
ASN A 200
TYR A 203
GLU A 434
CYH A 436
 QPS  A 601 (-4.4A)
QPS  A 601 (-4.2A)
QPS  A 601 (-4.4A)
QPS  A 601 (-4.2A)
QPS  A 601 (-3.9A)
QPS  A 601 ( 3.7A)
QPS  A 601 (-4.8A)
 0.60A 6gneB-6gngA:
41.9		 6gneB-6gngA:
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.
6GNF_A_QPSA602_1
(-)		 6gng -
(-) 		11 / 12 VAL A  41
ASP A 127
ASP A 169
HIS A 171
ASN A 200
ASN A 301
ARG A 356
GLN A 360
GLU A 434
PRO A 435
GLY A 437
 None
QPS  A 601 (-2.9A)
QPS  A 601 (-3.3A)
QPS  A 601 (-4.2A)
QPS  A 601 (-4.2A)
QPS  A 601 (-3.2A)
ADP  A 602 ( 3.6A)
QPS  A 601 (-3.2A)
QPS  A 601 ( 3.7A)
QPS  A 601 (-3.9A)
ADP  A 602 ( 3.6A)
 0.39A 6gnfA-6gngA:
54.4		 6gnfA-6gngA:
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.
6GNF_A_QPSA602_2
(-)		 6gng -
(-) 		8 / 9 THR A  35
GLY A  36
GLY A  37
TYR A 120
TRP A 170
HIS A 199
VAL A 269
CYH A 436
 QPS  A 601 ( 3.0A)
ADP  A 602 ( 3.5A)
ADP  A 602 ( 3.4A)
QPS  A 601 (-4.4A)
QPS  A 601 (-4.2A)
QPS  A 601 (-4.4A)
QPS  A 601 ( 4.7A)
QPS  A 601 (-4.8A)
 0.28A 6gnfA-6gngA:
54.4		 6gnfA-6gngA:
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.
6GNF_C_QPSC602_1
(-)		 6gng -
(-) 		8 / 10 THR A  35
GLY A  37
LEU A  38
TYR A 120
TRP A 170
HIS A 199
VAL A 269
CYH A 436
 QPS  A 601 ( 3.0A)
ADP  A 602 ( 3.4A)
QPS  A 601 (-4.1A)
QPS  A 601 (-4.4A)
QPS  A 601 (-4.2A)
QPS  A 601 (-4.4A)
QPS  A 601 ( 4.7A)
QPS  A 601 (-4.8A)
 0.33A 6gnfC-6gngA:
52.3		 6gnfC-6gngA:
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.
6GNF_C_QPSC602_2
(-)		 6gng -
(-) 		11 / 12 VAL A  41
ASP A 127
ASP A 169
HIS A 171
ASN A 200
ASN A 301
ARG A 356
GLN A 360
GLU A 434
PRO A 435
GLY A 437
 None
QPS  A 601 (-2.9A)
QPS  A 601 (-3.3A)
QPS  A 601 (-4.2A)
QPS  A 601 (-4.2A)
QPS  A 601 (-3.2A)
ADP  A 602 ( 3.6A)
QPS  A 601 (-3.2A)
QPS  A 601 ( 3.7A)
QPS  A 601 (-3.9A)
ADP  A 602 ( 3.6A)
 0.41A 6gnfC-6gngA:
52.3		 6gnfC-6gngA:
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.
6GNG_A_QPSA601_1
(-)		 6gnf -
(-) 		6 / 12 GLY A  19
LEU A  20
ASP A 151
HIS A 153
ASN A 182
GLN A 342
 ADP  A 601 ( 3.3A)
QPS  A 602 (-4.3A)
QPS  A 602 (-3.3A)
QPS  A 602 (-3.9A)
QPS  A 602 (-4.4A)
QPS  A 602 (-3.2A)
 0.88A 6gngA-6gnfA:
54.4		 6gngA-6gnfA:
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.
6GNG_A_QPSA601_1
(-)		 6gnf -
(-) 		10 / 12 THR A  17
GLY A  18
LEU A  20
VAL A  23
ASP A 108
ASP A 151
HIS A 153
ASN A 182
ASN A 283
GLN A 342
 QPS  A 602 (-3.2A)
ADP  A 601 ( 3.8A)
QPS  A 602 (-4.3A)
None
QPS  A 602 ( 2.5A)
QPS  A 602 (-3.3A)
QPS  A 602 (-3.9A)
QPS  A 602 (-4.4A)
QPS  A 602 (-3.4A)
QPS  A 602 (-3.2A)
 0.41A 6gngA-6gnfA:
54.4		 6gngA-6gnfA:
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.
6GNG_A_QPSA601_2
(-)		 6gnf -
(-) 		7 / 12 GLU A  10
GLY A  19
TYR A 101
PRO A 215
ARG A 338
GLU A 414
GLY A 417
 QPS  A 602 ( 4.5A)
ADP  A 601 ( 3.3A)
QPS  A 602 (-3.9A)
SO4  A 606 (-4.7A)
ADP  A 601 ( 4.1A)
QPS  A 602 (-3.6A)
QPS  A 602 (-3.7A)
 1.00A 6gngA-6gnfA:
54.4		 6gngA-6gnfA:
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.
6GNG_A_QPSA601_2
(-)		 6gnf -
(-) 		11 / 12 GLU A  10
GLY A  19
TYR A 101
TRP A 152
HIS A 181
PRO A 216
VAL A 251
ARG A 338
GLU A 414
PRO A 415
GLY A 417
 QPS  A 602 ( 4.5A)
ADP  A 601 ( 3.3A)
QPS  A 602 (-3.9A)
SO4  A 606 ( 3.3A)
QPS  A 602 (-4.1A)
None
QPS  A 602 ( 4.6A)
ADP  A 601 ( 4.1A)
QPS  A 602 (-3.6A)
QPS  A 602 (-3.6A)
QPS  A 602 (-3.7A)
 0.34A 6gngA-6gnfA:
54.4		 6gngA-6gnfA:
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.
6GNG_A_QPSA601_2
(-)		 6gnf -
(-) 		8 / 12 GLY A  19
HIS A 181
PRO A 225
VAL A 251
ARG A 338
GLU A 414
PRO A 415
GLY A 417
 ADP  A 601 ( 3.3A)
QPS  A 602 (-4.1A)
None
QPS  A 602 ( 4.6A)
ADP  A 601 ( 4.1A)
QPS  A 602 (-3.6A)
QPS  A 602 (-3.6A)
QPS  A 602 (-3.7A)
 0.77A 6gngA-6gnfA:
54.4		 6gngA-6gnfA:
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.
6GNG_B_QPSB601_1
(-)		 6gnf -
(-) 		6 / 12 THR A  17
VAL A  23
TYR A 101
PRO A 216
GLU A 414
GLY A 417
 QPS  A 602 (-3.2A)
None
QPS  A 602 (-3.9A)
None
QPS  A 602 (-3.6A)
QPS  A 602 (-3.7A)
 1.33A 6gngB-6gnfA:
54.2		 6gngB-6gnfA:
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.
6GNG_B_QPSB601_1
(-)		 6gnf -
(-) 		10 / 12 THR A  17
VAL A  23
TYR A 101
TRP A 152
HIS A 181
PRO A 215
VAL A 251
GLU A 414
CYH A 416
GLY A 417
 QPS  A 602 (-3.2A)
None
QPS  A 602 (-3.9A)
SO4  A 606 ( 3.3A)
QPS  A 602 (-4.1A)
SO4  A 606 (-4.7A)
QPS  A 602 ( 4.6A)
QPS  A 602 (-3.6A)
QPS  A 602 (-4.9A)
QPS  A 602 (-3.7A)
 0.35A 6gngB-6gnfA:
54.2		 6gngB-6gnfA:
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.
6GNG_B_QPSB601_2
(-)		 6gnf -
(-) 		10 / 12 GLU A  10
GLY A  18
GLY A  19
LEU A  20
HIS A 153
ASN A 182
PRO A 216
ARG A 338
GLN A 342
PRO A 415
 QPS  A 602 ( 4.5A)
ADP  A 601 ( 3.8A)
ADP  A 601 ( 3.3A)
QPS  A 602 (-4.3A)
QPS  A 602 (-3.9A)
QPS  A 602 (-4.4A)
None
ADP  A 601 ( 4.1A)
QPS  A 602 (-3.2A)
QPS  A 602 (-3.6A)
 0.39A 6gngB-6gnfA:
54.2		 6gngB-6gnfA:
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.
6GNG_B_QPSB601_2
(-)		 6gnf -
(-) 		8 / 12 GLU A  10
GLY A  18
GLY A  19
LEU A  20
PRO A 215
ARG A 338
GLN A 342
PRO A 415
 QPS  A 602 ( 4.5A)
ADP  A 601 ( 3.8A)
ADP  A 601 ( 3.3A)
QPS  A 602 (-4.3A)
SO4  A 606 (-4.7A)
ADP  A 601 ( 4.1A)
QPS  A 602 (-3.2A)
QPS  A 602 (-3.6A)
 0.92A 6gngB-6gnfA:
54.2		 6gngB-6gnfA:
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.
6GNG_B_QPSB601_2
(-)		 6gnf -
(-) 		6 / 12 GLU A  10
GLY A  19
GLY A 368
ASN A 182
GLN A 342
PRO A 415
 QPS  A 602 ( 4.5A)
ADP  A 601 ( 3.3A)
None
QPS  A 602 (-4.4A)
QPS  A 602 (-3.2A)
QPS  A 602 (-3.6A)
 1.36A 6gngB-6gnfA:
54.2		 6gngB-6gnfA:
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.
6GNG_B_QPSB601_2
(-)		 6gnf -
(-) 		7 / 12 GLU A  10
GLY A  19
LEU A  20
HIS A 153
ASN A 182
GLN A 342
PRO A 415
 QPS  A 602 ( 4.5A)
ADP  A 601 ( 3.3A)
QPS  A 602 (-4.3A)
QPS  A 602 (-3.9A)
QPS  A 602 (-4.4A)
QPS  A 602 (-3.2A)
QPS  A 602 (-3.6A)
 0.97A 6gngB-6gnfA:
54.2		 6gngB-6gnfA:
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.
6GNG_B_QPSB601_2
(-)		 6gnf -
(-) 		7 / 12 GLY A  18
GLY A  19
ASN A 182
PRO A 225
ARG A 338
GLN A 342
PRO A 415
 ADP  A 601 ( 3.8A)
ADP  A 601 ( 3.3A)
QPS  A 602 (-4.4A)
None
ADP  A 601 ( 4.1A)
QPS  A 602 (-3.2A)
QPS  A 602 (-3.6A)
 0.74A 6gngB-6gnfA:
54.2		 6gngB-6gnfA:
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.
6GNG_B_QPSB601_3
(-)		 6gnf -
(-) 		3 / 3 ASP A 108
ASP A 151
ASN A 283
 QPS  A 602 ( 2.5A)
QPS  A 602 (-3.3A)
QPS  A 602 (-3.4A)
 0.33A 6gngB-6gnfA:
54.2		 6gngB-6gnfA:
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.
6H7U_A_FVTA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		 6gnf -
(-) 		4 / 6 VAL A 251
ASN A 254
PRO A 253
GLU A 258
 QPS  A 602 ( 4.6A)
None
None
None
 1.18A 6h7uA-6gnfA:
undetectable		 6h7uA-6gnfA:
undetectable