SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'MTT'


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.
1C4D_B_DVAB8_0
(GRAMICIDIN A)		 4irl MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NOVEL PROTEIN
SIMILAR TO
VERTEBRATE GUANYLATE
BINDING PROTEIN
FAMILY
(Escherichia
coli;
Danio
rerio) 		3 / 3 TRP A 159
VAL A 260
TRP A 341
 None
None
MTT  A 501 (-4.0A)
 1.30A 1c4dA-4irlA:
undetectable
1c4dB-4irlA:
undetectable		 1c4dA-4irlA:
5.21
1c4dB-4irlA:
5.21
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.
1C4D_B_DVAB8_0
(GRAMICIDIN A)		 5jj4 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,SINGLE-STRAN
DED DNA CYTOSINE
DEAMINASE
(Escherichia
coli;
Homo
sapiens) 		3 / 3 TRP C 158
VAL C 259
TRP C 340
 None
None
MTT  C1203 (-4.0A)
 1.24A 1c4dA-5jj4C:
undetectable
1c4dB-5jj4C:
undetectable		 1c4dA-5jj4C:
2.29
1c4dB-5jj4C:
2.29
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		6 / 12 TYR A 299
ARG A 411
ASP A 413
GLU A 442
HIS A 525
ASP A 526
 MTT  A 802 (-4.0A)
MTT  A 802 (-3.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.0A)
MTT  A 802 (-3.9A)
MTT  A 802 (-2.9A)
 0.80A 1dedB-3wdjA:
25.7		 1dedB-3wdjA:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQB_A_GLYA1292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		4 / 8 SER A 568
HIS A 525
HIS A 567
ARG A 574
 None
MTT  A 802 (-3.9A)
None
None
 1.29A 1eqbA-3wdjA:
undetectable
1eqbB-3wdjA:
undetectable		 1eqbA-3wdjA:
21.21
1eqbB-3wdjA:
21.21
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.
1EQB_B_GLYB2292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		4 / 8 SER A 568
HIS A 525
HIS A 567
ARG A 574
 None
MTT  A 802 (-3.9A)
None
None
 1.29A 1eqbA-3wdjA:
undetectable
1eqbB-3wdjA:
undetectable		 1eqbA-3wdjA:
21.21
1eqbB-3wdjA:
21.21
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.
1EQB_C_GLYC3292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		4 / 8 SER A 568
HIS A 525
HIS A 567
ARG A 574
 None
MTT  A 802 (-3.9A)
None
None
 1.29A 1eqbC-3wdjA:
undetectable
1eqbD-3wdjA:
undetectable		 1eqbC-3wdjA:
21.21
1eqbD-3wdjA:
21.21
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.
1EQB_D_GLYD4292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		4 / 8 SER A 568
HIS A 525
HIS A 567
ARG A 574
 None
MTT  A 802 (-3.9A)
None
None
 1.30A 1eqbC-3wdjA:
undetectable
1eqbD-3wdjA:
undetectable		 1eqbC-3wdjA:
21.21
1eqbD-3wdjA:
21.21
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.
1GAH_A_ACRA497_1
(GLUCOAMYLASE-471)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		5 / 12 TYR A 299
ASP A 526
GLY A 443
TYR A 469
GLU A 442
 MTT  A 802 (-4.0A)
MTT  A 802 (-2.9A)
None
None
MTT  A 802 (-3.0A)
 1.33A 1gahA-3wdjA:
undetectable		 1gahA-3wdjA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KGL_A_RTLA175_0
(CELLULAR
RETINOL-BINDING
PROTEIN TYPE I)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		5 / 12 ALA A 384
PRO A 449
SER A 374
PHE A 365
GLY A 362
 None
None
None
None
MTT  A 803 ( 4.0A)
 1.04A 1kglA-3wdjA:
undetectable		 1kglA-3wdjA:
11.17
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		7 / 12 TYR A 299
HIS A 347
ARG A 411
ASP A 413
GLU A 442
HIS A 525
ASP A 526
 MTT  A 802 (-4.0A)
MTT  A 802 (-4.4A)
MTT  A 802 (-3.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.0A)
MTT  A 802 (-3.9A)
MTT  A 802 (-2.9A)
 0.48A 1mxdA-3wdjA:
24.0		 1mxdA-3wdjA:
20.56
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.
1QU2_A_MRCA1993_2
(ISOLEUCYL-TRNA
SYNTHETASE)		 3vd8 MALTOSE-BINDING
PERIPLASMIC PROTEIN,
INTERFERON-INDUCIBLE
PROTEIN AIM2
(Escherichia
coli;
Homo
sapiens) 		3 / 3 GLU A 111
TRP A 230
LYS A 273
 MTT  A1205 (-2.9A)
MTT  A1205 (-4.3A)
None
 1.29A 1qu2A-3vd8A:
undetectable		 1qu2A-3vd8A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WOP_A_FFOA2888_0
(AMINOMETHYLTRANSFERA
SE)		 4h1g MALTOSE BINDING
PROTEIN-CAKAR3 MOTOR
DOMAIN FUSION
PROTEIN
(Escherichia
coli;
Candida
albicans) 		5 / 10 LEU A-178
LEU A-175
ILE A-209
GLU A-217
LEU A-219
 None
None
None
MTT  A 701 (-3.2A)
None
 1.25A 1wopA-4h1gA:
undetectable		 1wopA-4h1gA:
19.48
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.
1WOP_A_FFOA2888_0
(AMINOMETHYLTRANSFERA
SE)		 4tsm MALTOSE-BINDING
PROTEIN, PILIN
CHIMERA
(Escherichia
coli;
Clostridioides
difficile) 		5 / 10 LEU A 192
LEU A 195
ILE A 161
GLU A 153
LEU A 151
 None
None
None
MTT  A1209 (-3.2A)
None
 1.23A 1wopA-4tsmA:
undetectable		 1wopA-4tsmA:
21.99
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.
2CL5_B_SAMB1217_1
(CATECHOL
O-METHYLTRANSFERASE)		 5d0f UNCHARACTERIZED
PROTEIN
([Candida]
glabrata) 		4 / 6 SER A1068
TYR A 896
SER A 913
ASP A 907
 None
None
MTT  A2003 ( 3.8A)
None
 1.35A 2cl5B-5d0fA:
undetectable		 2cl5B-5d0fA:
9.17
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.
2J2P_F_SC2F1291_1
(FICOLIN-2)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		4 / 6 LEU A 440
ASP A 342
ASP A 413
GLU A 226
 None
None
MTT  A 802 (-2.8A)
None
 0.94A 2j2pE-3wdjA:
undetectable
2j2pF-3wdjA:
undetectable		 2j2pE-3wdjA:
16.12
2j2pF-3wdjA:
16.12
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.
2OWC_A_ACRA600_1
(4-ALPHA-GLUCANOTRANS
FERASE)		 5d0f UNCHARACTERIZED
PROTEIN
([Candida]
glabrata) 		5 / 11 SER A 191
TYR A 193
TRP A 496
ASP A 535
ASP A 670
 MTT  A2001 (-2.7A)
MTT  A2001 (-3.9A)
MTT  A2001 (-3.5A)
MTT  A2001 (-3.0A)
MTT  A2001 (-3.3A)
 1.15A 2owcA-5d0fA:
9.6		 2owcA-5d0fA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OWC_A_ACRA600_1
(4-ALPHA-GLUCANOTRANS
FERASE)		 5d0f UNCHARACTERIZED
PROTEIN
([Candida]
glabrata) 		5 / 11 TYR A 193
TRP A 496
ASP A 535
HIS A 669
ASP A 670
 MTT  A2001 (-3.9A)
MTT  A2001 (-3.5A)
MTT  A2001 (-3.0A)
None
MTT  A2001 (-3.3A)
 0.84A 2owcA-5d0fA:
9.6		 2owcA-5d0fA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VMY_A_GLYA502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		4 / 7 SER A 568
HIS A 525
HIS A 567
ARG A 574
 None
MTT  A 802 (-3.9A)
None
None
 1.20A 2vmyA-3wdjA:
undetectable
2vmyB-3wdjA:
undetectable		 2vmyA-3wdjA:
20.95
2vmyB-3wdjA:
20.95
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.
2VMY_B_GLYB502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		4 / 8 SER A 568
HIS A 525
HIS A 567
ARG A 574
 None
MTT  A 802 (-3.9A)
None
None
 1.24A 2vmyA-3wdjA:
undetectable
2vmyB-3wdjA:
undetectable		 2vmyA-3wdjA:
20.95
2vmyB-3wdjA:
20.95
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.
2WA2_B_SAMB1267_1
(NON-STRUCTURAL
PROTEIN 5)		 5d0f UNCHARACTERIZED
PROTEIN
([Candida]
glabrata) 		3 / 3 SER A 695
HIS A 179
ASP A 535
 None
None
MTT  A2001 (-3.0A)
 0.78A 2wa2B-5d0fA:
undetectable		 2wa2B-5d0fA:
10.80
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.
2YS6_A_GLYA431_0
(PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		4 / 8 ARG A  96
GLY A 362
PRO A 361
GLU A 357
 MTT  A 803 (-2.8A)
MTT  A 803 ( 4.0A)
MTT  A 803 (-4.2A)
MTT  A 803 (-3.9A)
 1.04A 2ys6A-3wdjA:
undetectable		 2ys6A-3wdjA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZW9_A_SAMA801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 2vgq SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN,MITOCHONDRIA
L
ANTIVIRAL-SIGNALING
PROTEIN
(Escherichia
coli;
Homo
sapiens) 		4 / 8 THR A  93
LEU A 285
ASP A 287
GLU A 111
 None
None
None
MTT  A1463 (-2.9A)
 1.02A 2zw9A-2vgqA:
undetectable		 2zw9A-2vgqA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZW9_A_SAMA801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 3vd8 MALTOSE-BINDING
PERIPLASMIC PROTEIN,
INTERFERON-INDUCIBLE
PROTEIN AIM2
(Escherichia
coli;
Homo
sapiens) 		4 / 8 THR A  93
LEU A 285
ASP A 287
GLU A 111
 None
None
None
MTT  A1205 (-2.9A)
 1.02A 2zw9A-3vd8A:
undetectable		 2zw9A-3vd8A:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZW9_A_SAMA801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 4irl MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NOVEL PROTEIN
SIMILAR TO
VERTEBRATE GUANYLATE
BINDING PROTEIN
FAMILY
(Escherichia
coli;
Danio
rerio) 		4 / 8 THR A  94
LEU A 286
ASP A 288
GLU A 112
 None
None
None
MTT  A 501 (-2.9A)
 1.07A 2zw9A-4irlA:
undetectable		 2zw9A-4irlA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZW9_A_SAMA801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 5h7n NLRP12-PYD WITH MBP
TAG
(Homo
sapiens) 		4 / 8 THR A  94
LEU A 286
ASP A 288
GLU A 112
 None
None
None
MTT  A 501 (-2.9A)
 1.07A 2zw9A-5h7nA:
undetectable		 2zw9A-5h7nA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZW9_A_SAMA801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 6anv ANTI-CRISPR PROTEIN
ACRF1 FUSED WITH
C-TERMINAL MBP TAG
(Escherichia
coli;
Pseudomonas
phage
JBD30) 		4 / 8 THR A 173
LEU A 365
ASP A 367
GLU A 191
 None
None
None
MTT  A 501 (-2.7A)
 1.04A 2zw9A-6anvA:
undetectable		 2zw9A-6anvA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		5 / 12 ARG A 411
ASP A 413
GLU A 442
ARG A 475
HIS A 525
 MTT  A 802 (-3.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.0A)
MTT  A 801 (-3.1A)
MTT  A 802 (-3.9A)
 0.71A 3aicA-3wdjA:
2.3		 3aicA-3wdjA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		5 / 12 ARG A 411
ASP A 413
GLU A 442
HIS A 525
ASP A 526
 MTT  A 802 (-3.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.0A)
MTT  A 802 (-3.9A)
MTT  A 802 (-2.9A)
 0.62A 3aicA-3wdjA:
2.3		 3aicA-3wdjA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		5 / 12 ARG A 411
ASP A 413
GLU A 442
ARG A 475
HIS A 525
 MTT  A 802 (-3.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.0A)
MTT  A 801 (-3.1A)
MTT  A 802 (-3.9A)
 0.75A 3aicB-3wdjA:
3.7		 3aicB-3wdjA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		5 / 12 ARG A 411
ASP A 413
GLU A 442
HIS A 525
ASP A 526
 MTT  A 802 (-3.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.0A)
MTT  A 802 (-3.9A)
MTT  A 802 (-2.9A)
 0.62A 3aicB-3wdjA:
3.7		 3aicB-3wdjA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		6 / 12 ARG A 411
ASP A 413
GLU A 442
ARG A 475
HIS A 525
TYR A 299
 MTT  A 802 (-3.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.0A)
MTT  A 801 (-3.1A)
MTT  A 802 (-3.9A)
MTT  A 802 (-4.0A)
 0.71A 3aicC-3wdjA:
3.4		 3aicC-3wdjA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		6 / 12 ARG A 411
ASP A 413
GLU A 442
HIS A 525
ASP A 526
TYR A 299
 MTT  A 802 (-3.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.0A)
MTT  A 802 (-3.9A)
MTT  A 802 (-2.9A)
MTT  A 802 (-4.0A)
 0.60A 3aicC-3wdjA:
3.4		 3aicC-3wdjA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		5 / 12 ARG A 411
ASP A 413
GLU A 442
ARG A 475
HIS A 525
 MTT  A 802 (-3.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.0A)
MTT  A 801 (-3.1A)
MTT  A 802 (-3.9A)
 0.74A 3aicD-3wdjA:
8.4		 3aicD-3wdjA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		5 / 12 ARG A 411
ASP A 413
GLU A 442
HIS A 525
ASP A 526
 MTT  A 802 (-3.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.0A)
MTT  A 802 (-3.9A)
MTT  A 802 (-2.9A)
 0.69A 3aicD-3wdjA:
8.4		 3aicD-3wdjA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		5 / 12 ARG A 411
ASP A 413
GLU A 442
ARG A 475
HIS A 525
 MTT  A 802 (-3.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.0A)
MTT  A 801 (-3.1A)
MTT  A 802 (-3.9A)
 0.74A 3aicE-3wdjA:
6.6		 3aicE-3wdjA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		5 / 12 ARG A 411
ASP A 413
GLU A 442
HIS A 525
ASP A 526
 MTT  A 802 (-3.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.0A)
MTT  A 802 (-3.9A)
MTT  A 802 (-2.9A)
 0.64A 3aicE-3wdjA:
6.6		 3aicE-3wdjA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		5 / 12 ARG A 411
ASP A 413
GLU A 442
ARG A 475
HIS A 525
 MTT  A 802 (-3.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.0A)
MTT  A 801 (-3.1A)
MTT  A 802 (-3.9A)
 0.75A 3aicF-3wdjA:
4.8		 3aicF-3wdjA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		5 / 12 ARG A 411
ASP A 413
GLU A 442
HIS A 525
ASP A 526
 MTT  A 802 (-3.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.0A)
MTT  A 802 (-3.9A)
MTT  A 802 (-2.9A)
 0.64A 3aicF-3wdjA:
4.8		 3aicF-3wdjA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		5 / 12 ARG A 411
ASP A 413
GLU A 442
ARG A 475
HIS A 525
 MTT  A 802 (-3.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.0A)
MTT  A 801 (-3.1A)
MTT  A 802 (-3.9A)
 0.76A 3aicG-3wdjA:
5.8		 3aicG-3wdjA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		5 / 12 ARG A 411
ASP A 413
GLU A 442
HIS A 525
ASP A 526
 MTT  A 802 (-3.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.0A)
MTT  A 802 (-3.9A)
MTT  A 802 (-2.9A)
 0.62A 3aicG-3wdjA:
5.8		 3aicG-3wdjA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		5 / 12 ARG A 411
ASP A 413
GLU A 442
ARG A 475
HIS A 525
 MTT  A 802 (-3.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.0A)
MTT  A 801 (-3.1A)
MTT  A 802 (-3.9A)
 0.74A 3aicH-3wdjA:
8.1		 3aicH-3wdjA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		5 / 12 ARG A 411
ASP A 413
GLU A 442
HIS A 525
ASP A 526
 MTT  A 802 (-3.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.0A)
MTT  A 802 (-3.9A)
MTT  A 802 (-2.9A)
 0.67A 3aicH-3wdjA:
8.1		 3aicH-3wdjA:
22.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 2vgq SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN,MITOCHONDRIA
L
ANTIVIRAL-SIGNALING
PROTEIN
(Escherichia
coli;
Homo
sapiens) 		12 / 12 ASP A  14
LYS A  15
LYS A  42
GLU A  44
GLU A  45
ALA A  63
ASP A  65
ARG A  66
GLU A 111
PRO A 154
TRP A 230
TYR A 341
 MTT  A1463 (-2.9A)
MTT  A1463 (-2.7A)
MTT  A1463 (-4.3A)
MTT  A1463 (-3.1A)
MTT  A1463 (-3.5A)
MTT  A1463 (-3.2A)
MTT  A1463 (-2.8A)
MTT  A1463 (-3.7A)
MTT  A1463 (-2.9A)
MTT  A1463 (-3.5A)
MTT  A1463 (-4.4A)
MTT  A1463 (-4.5A)
 0.23A 3jyrA-2vgqA:
63.1		 3jyrA-2vgqA:
79.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 3vd8 MALTOSE-BINDING
PERIPLASMIC PROTEIN,
INTERFERON-INDUCIBLE
PROTEIN AIM2
(Escherichia
coli;
Homo
sapiens) 		12 / 12 ASP A  14
LYS A  15
LYS A  42
GLU A  44
GLU A  45
ALA A  63
ASP A  65
ARG A  66
GLU A 111
PRO A 154
TRP A 230
TYR A 341
 MTT  A1205 (-3.1A)
MTT  A1205 (-2.8A)
MTT  A1205 (-2.7A)
MTT  A1205 (-2.9A)
MTT  A1205 (-3.5A)
MTT  A1205 (-3.3A)
MTT  A1205 ( 2.8A)
MTT  A1205 ( 3.8A)
MTT  A1205 (-2.9A)
MTT  A1205 (-3.5A)
MTT  A1205 (-4.3A)
MTT  A1205 (-4.5A)
 0.40A 3jyrA-3vd8A:
62.6		 3jyrA-3vd8A:
69.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 4exk MALTOSE-BINDING
PERIPLASMIC PROTEIN,
UNCHARACTERIZED
PROTEIN CHIMERA
(Escherichia
coli;
Salmonella
enterica) 		12 / 12 ASP A  14
LYS A  15
LYS A  42
GLU A  44
GLU A  45
ALA A  63
ASP A  65
ARG A  66
GLU A 111
PRO A 154
TRP A 230
TYR A 341
 MTT  A 501 (-2.9A)
MTT  A 501 (-2.8A)
MTT  A 501 (-4.1A)
MTT  A 501 (-3.1A)
MTT  A 501 (-3.6A)
MTT  A 501 (-3.3A)
MTT  A 501 (-2.8A)
MTT  A 501 (-3.8A)
MTT  A 501 (-2.8A)
MTT  A 501 (-3.4A)
MTT  A 501 (-4.3A)
MTT  A 501 (-4.6A)
 0.23A 3jyrA-4exkA:
62.4		 3jyrA-4exkA:
72.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 4h1g MALTOSE BINDING
PROTEIN-CAKAR3 MOTOR
DOMAIN FUSION
PROTEIN
(Candida
albicans;
Escherichia
coli) 		11 / 12 ASP A-356
LYS A-355
GLU A-326
GLU A-325
ALA A-307
ASP A-305
ARG A-304
GLU A-259
PRO A-216
TRP A-140
TYR A -29
 MTT  A 701 (-2.9A)
MTT  A 701 (-2.8A)
MTT  A 701 (-3.1A)
MTT  A 701 (-3.4A)
MTT  A 701 (-3.2A)
MTT  A 701 (-2.7A)
MTT  A 701 (-3.8A)
MTT  A 701 (-3.0A)
MTT  A 701 (-3.5A)
MTT  A 701 (-4.3A)
MTT  A 701 (-4.6A)
 0.18A 3jyrA-4h1gA:
63.0		 3jyrA-4h1gA:
47.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 4irl MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NOVEL PROTEIN
SIMILAR TO
VERTEBRATE GUANYLATE
BINDING PROTEIN
FAMILY
(Danio
rerio;
Escherichia
coli) 		12 / 12 ASP A  15
LYS A  16
LYS A  43
GLU A  45
GLU A  46
ALA A  64
ASP A  66
ARG A  67
GLU A 112
PRO A 155
TRP A 231
TYR A 342
 MTT  A 501 (-3.0A)
MTT  A 501 (-2.8A)
MTT  A 501 (-3.8A)
MTT  A 501 (-2.9A)
MTT  A 501 (-3.5A)
MTT  A 501 (-3.4A)
MTT  A 501 (-2.8A)
MTT  A 501 (-3.8A)
MTT  A 501 (-2.9A)
MTT  A 501 (-3.6A)
MTT  A 501 (-4.4A)
MTT  A 501 (-4.4A)
 0.20A 3jyrA-4irlA:
62.9		 3jyrA-4irlA:
77.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 4tsm MALTOSE-BINDING
PROTEIN, PILIN
CHIMERA
(Clostridioides
difficile;
Escherichia
coli) 		12 / 12 ASP A  14
LYS A  15
LYS A  42
GLU A  44
GLU A  45
ALA A  63
ASP A  65
ARG A  66
GLU A 111
PRO A 154
TRP A 230
TYR A 341
 MTT  A1209 (-3.0A)
MTT  A1209 (-2.9A)
MTT  A1209 (-3.3A)
MTT  A1209 (-3.1A)
MTT  A1209 (-3.6A)
MTT  A1209 (-3.2A)
MTT  A1209 (-2.7A)
MTT  A1209 (-3.9A)
MTT  A1209 (-2.9A)
MTT  A1209 (-3.5A)
MTT  A1209 (-4.3A)
MTT  A1209 (-4.5A)
 0.18A 3jyrA-4tsmA:
60.8		 3jyrA-4tsmA:
66.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 5fsg MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HANTAVIRUS
NUCLEOPROTEIN
(Hantaan
orthohantavirus) 		10 / 12 ASP A-358
LYS A-357
GLU A-328
GLU A-327
ALA A-309
ARG A-306
GLU A-261
PRO A-218
TRP A-142
TYR A -31
 MTT  A1431 (-2.5A)
MTT  A1431 (-2.7A)
MTT  A1431 (-2.8A)
MTT  A1431 (-3.0A)
MTT  A1431 (-3.2A)
MTT  A1431 (-3.5A)
MTT  A1431 (-2.5A)
MTT  A1431 (-2.8A)
MTT  A1431 (-3.5A)
MTT  A1431 (-3.8A)
 0.57A 3jyrA-5fsgA:
58.1		 3jyrA-5fsgA:
62.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 5h7n NLRP12-PYD WITH MBP
TAG
(Homo
sapiens) 		12 / 12 ASP A  15
LYS A  16
LYS A  43
GLU A  45
GLU A  46
ALA A  64
ASP A  66
ARG A  67
GLU A 112
PRO A 155
TRP A 231
TYR A 342
 MTT  A 501 (-3.1A)
MTT  A 501 (-2.8A)
MTT  A 501 (-3.0A)
MTT  A 501 (-3.0A)
MTT  A 501 (-3.5A)
MTT  A 501 (-3.3A)
MTT  A 501 (-2.8A)
MTT  A 501 (-3.9A)
MTT  A 501 (-2.9A)
MTT  A 501 (-3.6A)
MTT  A 501 (-4.4A)
MTT  A 501 (-4.5A)
 0.28A 3jyrA-5h7nA:
59.2		 3jyrA-5h7nA:
72.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 5jj4 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,SINGLE-STRAN
DED DNA CYTOSINE
DEAMINASE
(Escherichia
coli;
Homo
sapiens) 		12 / 12 ASP C  14
LYS C  15
LYS C  42
GLU C  44
GLU C  45
ALA C  63
ASP C  65
ARG C  66
GLU C 111
PRO C 154
TRP C 230
TYR C 341
 MTT  C1203 (-3.2A)
MTT  C1203 (-2.8A)
MTT  C1203 (-3.5A)
MTT  C1203 (-3.1A)
MTT  C1203 (-3.4A)
MTT  C1203 (-3.3A)
MTT  C1203 (-3.0A)
MTT  C1203 (-4.3A)
MTT  C1203 (-3.0A)
MTT  C1203 (-3.6A)
MTT  C1203 (-4.5A)
MTT  C1203 (-4.5A)
 0.55A 3jyrA-5jj4C:
61.4		 3jyrA-5jj4C:
72.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 6anv ANTI-CRISPR PROTEIN
ACRF1 FUSED WITH
C-TERMINAL MBP TAG
(Escherichia
coli;
Pseudomonas
phage
JBD30) 		12 / 12 ASP A  94
LYS A  95
LYS A 122
GLU A 124
GLU A 125
ALA A 143
ASP A 145
ARG A 146
GLU A 191
PRO A 234
TRP A 310
TYR A 421
 MTT  A 501 ( 3.0A)
MTT  A 501 (-2.7A)
MES  A 502 (-3.7A)
MTT  A 501 (-3.1A)
MTT  A 501 (-3.5A)
MTT  A 501 (-3.2A)
MTT  A 501 (-2.9A)
MTT  A 501 (-4.0A)
MTT  A 501 (-2.7A)
MTT  A 501 (-3.4A)
MTT  A 501 (-4.3A)
MTT  A 501 (-4.5A)
 0.23A 3jyrA-6anvA:
62.4		 3jyrA-6anvA:
80.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 2vgq SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN,MITOCHONDRIA
L
ANTIVIRAL-SIGNALING
PROTEIN
(Escherichia
coli;
Homo
sapiens) 		7 / 7 ASN A  12
TRP A  62
GLU A 153
TYR A 155
MET A 330
TRP A 340
ARG A 344
 MTT  A1463 ( 4.8A)
MTT  A1463 (-4.2A)
MTT  A1463 (-3.1A)
MTT  A1463 (-3.7A)
MTT  A1463 ( 4.4A)
MTT  A1463 (-3.9A)
MTT  A1463 (-3.5A)
 0.14A 3jyrA-2vgqA:
63.1		 3jyrA-2vgqA:
79.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 3vd8 MALTOSE-BINDING
PERIPLASMIC PROTEIN,
INTERFERON-INDUCIBLE
PROTEIN AIM2
(Escherichia
coli;
Homo
sapiens) 		7 / 7 ASN A  12
TRP A  62
GLU A 153
TYR A 155
MET A 330
TRP A 340
ARG A 344
 MTT  A1205 (-4.6A)
MTT  A1205 (-4.4A)
MTT  A1205 (-3.4A)
MTT  A1205 (-4.0A)
MTT  A1205 ( 4.2A)
MTT  A1205 (-3.9A)
MTT  A1205 (-4.0A)
 0.55A 3jyrA-3vd8A:
62.6		 3jyrA-3vd8A:
69.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 4exk MALTOSE-BINDING
PERIPLASMIC PROTEIN,
UNCHARACTERIZED
PROTEIN CHIMERA
(Escherichia
coli;
Salmonella
enterica) 		7 / 7 ASN A  12
TRP A  62
GLU A 153
TYR A 155
MET A 330
TRP A 340
ARG A 344
 MTT  A 501 ( 4.7A)
MTT  A 501 (-4.2A)
MTT  A 501 (-3.3A)
MTT  A 501 (-3.7A)
MTT  A 501 ( 4.4A)
MTT  A 501 (-3.9A)
MTT  A 501 (-3.9A)
 0.15A 3jyrA-4exkA:
62.4		 3jyrA-4exkA:
72.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 4h1g MALTOSE BINDING
PROTEIN-CAKAR3 MOTOR
DOMAIN FUSION
PROTEIN
(Candida
albicans;
Escherichia
coli) 		6 / 7 ASN A-358
TRP A-308
GLU A-217
TYR A-215
MET A -40
TRP A -30
 MTT  A 701 ( 4.8A)
MTT  A 701 (-4.5A)
MTT  A 701 (-3.2A)
MTT  A 701 (-3.8A)
MTT  A 701 ( 4.1A)
MTT  A 701 (-3.8A)
 0.25A 3jyrA-4h1gA:
63.0		 3jyrA-4h1gA:
47.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 4h1g MALTOSE BINDING
PROTEIN-CAKAR3 MOTOR
DOMAIN FUSION
PROTEIN
(Candida
albicans;
Escherichia
coli) 		6 / 7 ASN A-358
TRP A-308
TYR A-215
MET A -40
TRP A -30
ARG A -26
 MTT  A 701 ( 4.8A)
MTT  A 701 (-4.5A)
MTT  A 701 (-3.8A)
MTT  A 701 ( 4.1A)
MTT  A 701 (-3.8A)
MTT  A 701 (-3.9A)
 0.59A 3jyrA-4h1gA:
63.0		 3jyrA-4h1gA:
47.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 4irl MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NOVEL PROTEIN
SIMILAR TO
VERTEBRATE GUANYLATE
BINDING PROTEIN
FAMILY
(Danio
rerio;
Escherichia
coli) 		7 / 7 ASN A  13
TRP A  63
GLU A 154
TYR A 156
MET A 331
TRP A 341
ARG A 345
 MTT  A 501 ( 4.8A)
MTT  A 501 (-4.4A)
MTT  A 501 (-3.5A)
MTT  A 501 (-3.8A)
MTT  A 501 ( 4.5A)
MTT  A 501 (-4.0A)
MTT  A 501 (-4.0A)
 0.15A 3jyrA-4irlA:
62.9		 3jyrA-4irlA:
77.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 4tsm MALTOSE-BINDING
PROTEIN, PILIN
CHIMERA
(Clostridioides
difficile;
Escherichia
coli) 		6 / 7 ASN A  12
TRP A  62
GLU A 153
TYR A 155
MET A 330
TRP A 340
 MTT  A1209 ( 4.7A)
MTT  A1209 (-4.3A)
MTT  A1209 (-3.2A)
MTT  A1209 (-3.8A)
MTT  A1209 ( 4.1A)
MTT  A1209 (-3.8A)
 0.30A 3jyrA-4tsmA:
60.8		 3jyrA-4tsmA:
66.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 4tsm MALTOSE-BINDING
PROTEIN, PILIN
CHIMERA
(Clostridioides
difficile;
Escherichia
coli) 		6 / 7 ASN A  12
TRP A  62
TYR A 155
MET A 330
TRP A 340
ARG A 344
 MTT  A1209 ( 4.7A)
MTT  A1209 (-4.3A)
MTT  A1209 (-3.8A)
MTT  A1209 ( 4.1A)
MTT  A1209 (-3.8A)
MTT  A1209 (-4.0A)
 0.55A 3jyrA-4tsmA:
60.8		 3jyrA-4tsmA:
66.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 5fsg MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HANTAVIRUS
NUCLEOPROTEIN
(Hantaan
orthohantavirus) 		7 / 7 ASN A-360
TRP A-310
GLU A-219
TYR A-217
MET A -42
TRP A -32
ARG A -28
 MTT  A1431 (-4.2A)
MTT  A1431 (-4.1A)
MTT  A1431 (-3.4A)
MTT  A1431 (-3.6A)
MTT  A1431 (-3.7A)
MTT  A1431 (-3.2A)
MTT  A1431 (-2.9A)
 0.43A 3jyrA-5fsgA:
58.1		 3jyrA-5fsgA:
62.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 5h7n NLRP12-PYD WITH MBP
TAG
(Homo
sapiens) 		6 / 7 ASN A  13
TRP A  63
GLU A 154
TYR A 156
MET A 331
TRP A 341
 MTT  A 501 ( 4.8A)
MTT  A 501 (-4.4A)
MTT  A 501 (-3.5A)
MTT  A 501 (-3.9A)
MTT  A 501 ( 4.3A)
MTT  A 501 (-3.9A)
 0.09A 3jyrA-5h7nA:
59.2		 3jyrA-5h7nA:
72.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 5h7n NLRP12-PYD WITH MBP
TAG
(Homo
sapiens) 		6 / 7 ASN A  13
TRP A  63
TYR A 156
MET A 331
TRP A 341
ARG A 345
 MTT  A 501 ( 4.8A)
MTT  A 501 (-4.4A)
MTT  A 501 (-3.9A)
MTT  A 501 ( 4.3A)
MTT  A 501 (-3.9A)
MTT  A 501 (-3.9A)
 0.57A 3jyrA-5h7nA:
59.2		 3jyrA-5h7nA:
72.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 5jj4 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,SINGLE-STRAN
DED DNA CYTOSINE
DEAMINASE
(Escherichia
coli;
Homo
sapiens) 		7 / 7 ASN C  12
TRP C  62
GLU C 153
TYR C 155
MET C 330
TRP C 340
ARG C 344
 MTT  C1203 ( 4.8A)
MTT  C1203 (-4.1A)
MTT  C1203 (-3.5A)
MTT  C1203 (-3.9A)
MTT  C1203 (-4.2A)
MTT  C1203 (-4.0A)
MTT  C1203 (-4.1A)
 0.34A 3jyrA-5jj4C:
61.4		 3jyrA-5jj4C:
72.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 6anv ANTI-CRISPR PROTEIN
ACRF1 FUSED WITH
C-TERMINAL MBP TAG
(Escherichia
coli;
Pseudomonas
phage
JBD30) 		7 / 7 ASN A  92
TRP A 142
GLU A 233
TYR A 235
MET A 410
TRP A 420
ARG A 424
 MTT  A 501 (-4.6A)
MTT  A 501 (-4.1A)
MTT  A 501 (-3.2A)
MTT  A 501 (-3.8A)
MTT  A 501 ( 4.1A)
MTT  A 501 (-3.8A)
MTT  A 501 (-4.1A)
 0.45A 3jyrA-6anvA:
62.4		 3jyrA-6anvA:
80.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N2O_C_AG2C1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)		 5d0f UNCHARACTERIZED
PROTEIN
([Candida]
glabrata) 		4 / 8 ASP A 670
LEU A 713
ASP A 230
ASP A 535
 MTT  A2001 (-3.3A)
MTT  A2001 ( 4.9A)
None
MTT  A2001 (-3.0A)
 1.22A 3n2oC-5d0fA:
4.0
3n2oD-5d0fA:
3.1		 3n2oC-5d0fA:
18.09
3n2oD-5d0fA:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 2vgq SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN,MITOCHONDRIA
L
ANTIVIRAL-SIGNALING
PROTEIN
(Escherichia
coli;
Homo
sapiens) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 MTT  A1463 (-4.9A)
None
None
MTT  A1463 (-2.9A)
None
 0.85A 3tbgB-2vgqA:
undetectable		 3tbgB-2vgqA:
21.55
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.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 3vd8 MALTOSE-BINDING
PERIPLASMIC PROTEIN,
INTERFERON-INDUCIBLE
PROTEIN AIM2
(Escherichia
coli;
Homo
sapiens) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 MTT  A1205 (-4.9A)
None
None
MTT  A1205 (-2.9A)
None
 0.83A 3tbgB-3vd8A:
undetectable		 3tbgB-3vd8A:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 4exk MALTOSE-BINDING
PERIPLASMIC PROTEIN,
UNCHARACTERIZED
PROTEIN CHIMERA
(Escherichia
coli;
Salmonella
enterica) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 None
None
None
MTT  A 501 (-2.8A)
None
 0.86A 3tbgB-4exkA:
undetectable		 3tbgB-4exkA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 4h1g MALTOSE BINDING
PROTEIN-CAKAR3 MOTOR
DOMAIN FUSION
PROTEIN
(Candida
albicans;
Escherichia
coli) 		5 / 12 PHE A-214
GLY A -70
LEU A -71
GLU A-259
ALA A-139
 None
None
None
MTT  A 701 (-3.0A)
None
 0.85A 3tbgB-4h1gA:
undetectable		 3tbgB-4h1gA:
22.01
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.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 4irl MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NOVEL PROTEIN
SIMILAR TO
VERTEBRATE GUANYLATE
BINDING PROTEIN
FAMILY
(Danio
rerio;
Escherichia
coli) 		5 / 12 PHE A 157
GLY A 301
LEU A 300
GLU A 112
ALA A 232
 None
None
None
MTT  A 501 (-2.9A)
None
 0.84A 3tbgB-4irlA:
undetectable		 3tbgB-4irlA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 4tsm MALTOSE-BINDING
PROTEIN, PILIN
CHIMERA
(Clostridioides
difficile;
Escherichia
coli) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 MTT  A1209 (-4.9A)
None
None
MTT  A1209 (-2.9A)
None
 0.85A 3tbgB-4tsmA:
undetectable		 3tbgB-4tsmA:
21.63
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.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 5fsg MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HANTAVIRUS
NUCLEOPROTEIN
(Hantaan
orthohantavirus) 		5 / 12 PHE A-216
GLY A -72
LEU A -73
GLU A-261
ALA A-141
 MTT  A1431 ( 4.3A)
None
None
MTT  A1431 (-2.5A)
None
 0.89A 3tbgB-5fsgA:
undetectable		 3tbgB-5fsgA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 5h7n NLRP12-PYD WITH MBP
TAG
(Homo
sapiens) 		5 / 12 PHE A 157
GLY A 301
LEU A 300
GLU A 112
ALA A 232
 None
None
None
MTT  A 501 (-2.9A)
None
 0.83A 3tbgB-5h7nA:
undetectable		 3tbgB-5h7nA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 5jj4 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,SINGLE-STRAN
DED DNA CYTOSINE
DEAMINASE
(Escherichia
coli;
Homo
sapiens) 		5 / 12 PHE C 156
GLY C 300
LEU C 299
GLU C 111
ALA C 231
 None
None
None
MTT  C1203 (-3.0A)
None
 0.80A 3tbgB-5jj4C:
undetectable		 3tbgB-5jj4C:
21.38
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.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 6anv ANTI-CRISPR PROTEIN
ACRF1 FUSED WITH
C-TERMINAL MBP TAG
(Escherichia
coli;
Pseudomonas
phage
JBD30) 		5 / 12 PHE A 236
GLY A 380
LEU A 379
GLU A 191
ALA A 311
 MTT  A 501 (-4.8A)
None
None
MTT  A 501 (-2.7A)
None
 0.82A 3tbgB-6anvA:
undetectable		 3tbgB-6anvA:
19.80
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.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 2vgq SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN,MITOCHONDRIA
L
ANTIVIRAL-SIGNALING
PROTEIN
(Escherichia
coli;
Homo
sapiens) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 MTT  A1463 (-4.9A)
None
None
MTT  A1463 (-2.9A)
None
 0.84A 3tbgD-2vgqA:
undetectable		 3tbgD-2vgqA:
21.55
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.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 3vd8 MALTOSE-BINDING
PERIPLASMIC PROTEIN,
INTERFERON-INDUCIBLE
PROTEIN AIM2
(Escherichia
coli;
Homo
sapiens) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 MTT  A1205 (-4.9A)
None
None
MTT  A1205 (-2.9A)
None
 0.82A 3tbgD-3vd8A:
undetectable		 3tbgD-3vd8A:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 4exk MALTOSE-BINDING
PERIPLASMIC PROTEIN,
UNCHARACTERIZED
PROTEIN CHIMERA
(Escherichia
coli;
Salmonella
enterica) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 None
None
None
MTT  A 501 (-2.8A)
None
 0.84A 3tbgD-4exkA:
undetectable		 3tbgD-4exkA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 4h1g MALTOSE BINDING
PROTEIN-CAKAR3 MOTOR
DOMAIN FUSION
PROTEIN
(Candida
albicans;
Escherichia
coli) 		5 / 12 PHE A-214
GLY A -70
LEU A -71
GLU A-259
ALA A-139
 None
None
None
MTT  A 701 (-3.0A)
None
 0.83A 3tbgD-4h1gA:
undetectable		 3tbgD-4h1gA:
22.01
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.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 4irl MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NOVEL PROTEIN
SIMILAR TO
VERTEBRATE GUANYLATE
BINDING PROTEIN
FAMILY
(Danio
rerio;
Escherichia
coli) 		5 / 12 PHE A 157
GLY A 301
LEU A 300
GLU A 112
ALA A 232
 None
None
None
MTT  A 501 (-2.9A)
None
 0.82A 3tbgD-4irlA:
undetectable		 3tbgD-4irlA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 4tsm MALTOSE-BINDING
PROTEIN, PILIN
CHIMERA
(Clostridioides
difficile;
Escherichia
coli) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 MTT  A1209 (-4.9A)
None
None
MTT  A1209 (-2.9A)
None
 0.83A 3tbgD-4tsmA:
undetectable		 3tbgD-4tsmA:
21.63
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.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 5fsg MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HANTAVIRUS
NUCLEOPROTEIN
(Hantaan
orthohantavirus) 		5 / 12 PHE A-216
GLY A -72
LEU A -73
GLU A-261
ALA A-141
 MTT  A1431 ( 4.3A)
None
None
MTT  A1431 (-2.5A)
None
 0.87A 3tbgD-5fsgA:
undetectable		 3tbgD-5fsgA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 5h7n NLRP12-PYD WITH MBP
TAG
(Homo
sapiens) 		5 / 12 PHE A 157
GLY A 301
LEU A 300
GLU A 112
ALA A 232
 None
None
None
MTT  A 501 (-2.9A)
None
 0.81A 3tbgD-5h7nA:
undetectable		 3tbgD-5h7nA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 5jj4 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,SINGLE-STRAN
DED DNA CYTOSINE
DEAMINASE
(Escherichia
coli;
Homo
sapiens) 		5 / 12 PHE C 156
GLY C 300
LEU C 299
GLU C 111
ALA C 231
 None
None
None
MTT  C1203 (-3.0A)
None
 0.78A 3tbgD-5jj4C:
undetectable		 3tbgD-5jj4C:
21.38
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.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 6anv ANTI-CRISPR PROTEIN
ACRF1 FUSED WITH
C-TERMINAL MBP TAG
(Escherichia
coli;
Pseudomonas
phage
JBD30) 		5 / 12 PHE A 236
GLY A 380
LEU A 379
GLU A 191
ALA A 311
 MTT  A 501 (-4.8A)
None
None
MTT  A 501 (-2.7A)
None
 0.80A 3tbgD-6anvA:
undetectable		 3tbgD-6anvA:
19.80
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.
3VAS_B_ADNB401_2
(PUTATIVE ADENOSINE
KINASE)		 3l01 GLGA GLYCOGEN
SYNTHASE
(Pyrococcus
abyssi) 		4 / 5 LEU A 171
ALA A 166
THR A 182
PHE A 133
 MTT  A5360 (-4.0A)
None
MTT  A5360 (-2.9A)
None
 1.22A 3vasB-3l01A:
3.0		 3vasB-3l01A:
21.06
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.
4LF7_A_PARA1817_1
(16S RRNA
RIBOSOMAL PROTEIN S9
RIBOSOMAL PROTEIN
S10)		 4h1g MALTOSE BINDING
PROTEIN-CAKAR3 MOTOR
DOMAIN FUSION
PROTEIN
(Candida
albicans;
Escherichia
coli) 		3 / 3 TYR A -29
ARG A-304
SER A -33
 MTT  A 701 (-4.6A)
MTT  A 701 (-3.8A)
None
 1.11A 4lf7I-4h1gA:
undetectable
4lf7J-4h1gA:
undetectable		 4lf7I-4h1gA:
10.81
4lf7J-4h1gA:
9.55
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.
4LF8_A_PARA1817_1
(16S RRNA
RIBOSOMAL PROTEIN S9
RIBOSOMAL PROTEIN
S10)		 4h1g MALTOSE BINDING
PROTEIN-CAKAR3 MOTOR
DOMAIN FUSION
PROTEIN
(Candida
albicans;
Escherichia
coli) 		3 / 3 TYR A -29
ARG A-304
SER A -33
 MTT  A 701 (-4.6A)
MTT  A 701 (-3.8A)
None
 1.11A 4lf8I-4h1gA:
undetectable
4lf8J-4h1gA:
undetectable		 4lf8I-4h1gA:
10.81
4lf8J-4h1gA:
9.55
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.
4N48_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 2vgq SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN,MITOCHONDRIA
L
ANTIVIRAL-SIGNALING
PROTEIN
(Escherichia
coli;
Homo
sapiens) 		4 / 5 ASN A 267
ALA A  51
GLY A  56
ASP A  14
 None
None
None
MTT  A1463 (-2.9A)
 0.96A 4n48A-2vgqA:
undetectable		 4n48A-2vgqA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N48_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 3vd8 MALTOSE-BINDING
PERIPLASMIC PROTEIN,
INTERFERON-INDUCIBLE
PROTEIN AIM2
(Escherichia
coli;
Homo
sapiens) 		4 / 5 ASN A 267
ALA A  51
GLY A  56
ASP A  14
 None
None
None
MTT  A1205 (-3.1A)
 0.96A 4n48A-3vd8A:
undetectable		 4n48A-3vd8A:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N48_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 4h1g MALTOSE BINDING
PROTEIN-CAKAR3 MOTOR
DOMAIN FUSION
PROTEIN
(Escherichia
coli;
Candida
albicans) 		4 / 5 ASN A-103
ALA A-319
GLY A-314
ASP A-356
 None
None
None
MTT  A 701 (-2.9A)
 0.97A 4n48A-4h1gA:
undetectable		 4n48A-4h1gA:
21.35
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.
4N48_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 4irl MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NOVEL PROTEIN
SIMILAR TO
VERTEBRATE GUANYLATE
BINDING PROTEIN
FAMILY
(Escherichia
coli;
Danio
rerio) 		4 / 5 ASN A 268
ALA A  52
GLY A  57
ASP A  15
 None
None
None
MTT  A 501 (-3.0A)
 0.94A 4n48A-4irlA:
undetectable		 4n48A-4irlA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N48_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 5h7n NLRP12-PYD WITH MBP
TAG
(Homo
sapiens) 		4 / 5 ASN A 268
ALA A  52
GLY A  57
ASP A  15
 None
None
None
MTT  A 501 (-3.1A)
 0.97A 4n48A-5h7nA:
undetectable		 4n48A-5h7nA:
21.41
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.
4N48_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 5jj4 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,SINGLE-STRAN
DED DNA CYTOSINE
DEAMINASE
(Escherichia
coli;
Homo
sapiens) 		4 / 5 ASN C 267
ALA C  51
GLY C  56
ASP C  14
 None
None
None
MTT  C1203 (-3.2A)
 0.99A 4n48A-5jj4C:
undetectable		 4n48A-5jj4C:
21.77
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.
4N48_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 6anv ANTI-CRISPR PROTEIN
ACRF1 FUSED WITH
C-TERMINAL MBP TAG
(Escherichia
coli;
Pseudomonas
phage
JBD30) 		4 / 5 ASN A 347
ALA A 131
GLY A 136
ASP A  94
 None
None
None
MTT  A 501 ( 3.0A)
 1.00A 4n48A-6anvA:
undetectable		 4n48A-6anvA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZE2_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		4 / 5 ALA A 312
TYR A 311
HIS A 347
PHE A 283
 None
None
MTT  A 802 (-4.4A)
None
 1.15A 4ze2A-3wdjA:
undetectable		 4ze2A-3wdjA:
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		5 / 12 ARG A 411
ASP A 413
GLU A 442
HIS A 525
ASP A 526
 MTT  A 802 (-3.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.0A)
MTT  A 802 (-3.9A)
MTT  A 802 (-2.9A)
 0.31A 5csyB-3wdjA:
17.6		 5csyB-3wdjA:
21.23
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 5d0f UNCHARACTERIZED
PROTEIN
([Candida]
glabrata) 		5 / 12 TRP A 496
ARG A 533
ASP A 535
HIS A 669
ASP A 670
 MTT  A2001 (-3.5A)
None
MTT  A2001 (-3.0A)
None
MTT  A2001 (-3.3A)
 0.80A 5csyB-5d0fA:
11.6		 5csyB-5d0fA:
17.37
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.
6AG0_A_ACRA607_0
(ALPHA-AMYLASE)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		4 / 4 ARG A 475
SER A 481
ASP A 476
ASN A 527
 MTT  A 801 (-3.1A)
None
None
MTT  A 801 (-3.0A)
 1.34A 6ag0A-3wdjA:
22.0		 6ag0A-3wdjA:
8.49
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 3wdj TYPE I PULLULANASE
(Anoxybacillus
sp.
LM18-11) 		5 / 12 TYR A 299
HIS A 347
ASP A 413
HIS A 525
ASP A 526
 MTT  A 802 (-4.0A)
MTT  A 802 (-4.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.9A)
MTT  A 802 (-2.9A)
 0.51A 6ag0A-3wdjA:
22.1		 6ag0A-3wdjA:
8.49
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 5d0f UNCHARACTERIZED
PROTEIN
([Candida]
glabrata) 		5 / 12 TYR A 193
HIS A 235
ASP A 535
HIS A 669
ASP A 670
 MTT  A2001 (-3.9A)
MTT  A2001 (-4.4A)
MTT  A2001 (-3.0A)
None
MTT  A2001 (-3.3A)
 0.64A 6ag0A-5d0fA:
10.9		 6ag0A-5d0fA:
4.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B58_A_ACTA603_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 3vd8 MALTOSE-BINDING
PERIPLASMIC PROTEIN,
INTERFERON-INDUCIBLE
PROTEIN AIM2
(Escherichia
coli;
Homo
sapiens) 		3 / 3 TYR A 155
ASN A 227
LEU A 113
 MTT  A1205 (-4.0A)
None
None
 0.82A 6b58A-3vd8A:
undetectable		 6b58A-3vd8A:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B58_A_ACTA603_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 4exk MALTOSE-BINDING
PERIPLASMIC PROTEIN,
UNCHARACTERIZED
PROTEIN CHIMERA
(Escherichia
coli;
Salmonella
enterica) 		3 / 3 TYR A 155
ASN A 227
LEU A 113
 MTT  A 501 (-3.7A)
None
None
 0.81A 6b58A-4exkA:
undetectable		 6b58A-4exkA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B58_A_ACTA603_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 4h1g MALTOSE BINDING
PROTEIN-CAKAR3 MOTOR
DOMAIN FUSION
PROTEIN
(Escherichia
coli;
Candida
albicans) 		3 / 3 TYR A-215
ASN A-143
LEU A-257
 MTT  A 701 (-3.8A)
None
None
 0.79A 6b58A-4h1gA:
undetectable		 6b58A-4h1gA:
22.25
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.
6B58_A_ACTA603_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 4irl MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NOVEL PROTEIN
SIMILAR TO
VERTEBRATE GUANYLATE
BINDING PROTEIN
FAMILY
(Escherichia
coli;
Danio
rerio) 		3 / 3 TYR A 156
ASN A 228
LEU A 114
 MTT  A 501 (-3.8A)
None
None
 0.84A 6b58A-4irlA:
undetectable		 6b58A-4irlA:
21.91
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.
6B58_A_ACTA603_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 5h7n NLRP12-PYD WITH MBP
TAG
(Homo
sapiens) 		3 / 3 TYR A 156
ASN A 228
LEU A 114
 MTT  A 501 (-3.9A)
None
None
 0.84A 6b58A-5h7nA:
undetectable		 6b58A-5h7nA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B58_A_ACTA603_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 5jj4 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,SINGLE-STRAN
DED DNA CYTOSINE
DEAMINASE
(Escherichia
coli;
Homo
sapiens) 		3 / 3 TYR C 155
ASN C 227
LEU C 113
 MTT  C1203 (-3.9A)
None
None
 0.77A 6b58A-5jj4C:
undetectable		 6b58A-5jj4C:
21.88