SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'MLR'


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)		 3ob4 MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
ARAH 2
(Escherichia
coli;
Arachis
duranensis) 		3 / 3 TRP A 158
VAL A 259
TRP A 340
 None
None
MLR  A 400 (-3.8A)
 1.23A 1c4dA-3ob4A:
undetectable
1c4dB-3ob4A:
undetectable		 1c4dA-3ob4A:
5.21
1c4dB-3ob4A:
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)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		3 / 3 TRP A 159
VAL A 260
TRP A 341
 None
None
MLR  A 700 (-4.0A)
 1.25A 1c4dA-4pqkA:
undetectable
1c4dB-4pqkA:
undetectable		 1c4dA-4pqkA:
5.21
1c4dB-4pqkA:
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)		 5c7r FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND TYPE-3
ICE-STRUCTURING
PROTEIN HPLC 12
(Escherichia
coli;
Zoarces
americanus) 		3 / 3 TRP A 158
VAL A 259
TRP A 340
 None
None
MLR  A 501 (-4.0A)
 1.26A 1c4dA-5c7rA:
undetectable
1c4dB-5c7rA:
undetectable		 1c4dA-5c7rA:
2.38
1c4dB-5c7rA:
2.38
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.
1C4D_B_DVAB8_0
(GRAMICIDIN A)		 5hz7 COMP
(Neisseria
meningitidis) 		3 / 3 TRP A 159
VAL A 260
TRP A 341
 None
None
MLR  A 501 (-3.1A)
 1.30A 1c4dA-5hz7A:
undetectable
1c4dB-5hz7A:
undetectable		 1c4dA-5hz7A:
2.78
1c4dB-5hz7A:
2.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5ttd MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PILIN
ISOPEPTIDE LINKAGE
DOMAIN PROTEIN
(Escherichia
coli;
Streptococcus
pyogenes) 		3 / 3 TRP A 164
VAL A 265
TRP A 346
 None
None
MLR  A 501 (-3.9A)
 1.30A 1c4dA-5ttdA:
undetectable
1c4dB-5ttdA:
undetectable		 1c4dA-5ttdA:
2.55
1c4dB-5ttdA:
2.55
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.
1C9H_A_RAPA108_1
(FKBP12.6)		 2fnc MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN
(Thermotoga
maritima) 		5 / 12 TYR A 213
ASP A 217
VAL A 113
ILE A 229
PHE A 159
 MLR  A2913 ( 3.8A)
None
None
None
MLR  A2913 (-4.6A)
 1.07A 1c9hA-2fncA:
undetectable		 1c9hA-2fncA:
14.25
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 5h05 AMYP
(marine
metagenome) 		5 / 12 TYR A  89
ASP A 178
HIS A 296
ASP A 297
ARG A 371
 MLR  A 701 (-4.0A)
MLR  A 701 (-3.0A)
MLR  A 701 (-4.0A)
MLR  A 701 (-2.9A)
MLR  A 701 (-2.9A)
 0.68A 1dedA-5h05A:
33.1		 1dedA-5h05A:
25.53
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5h05 AMYP
(marine
metagenome) 		6 / 12 TYR A  89
ARG A 176
ASP A 178
HIS A 296
ASP A 297
ARG A 371
 MLR  A 701 (-4.0A)
MLR  A 701 (-3.7A)
MLR  A 701 (-3.0A)
MLR  A 701 (-4.0A)
MLR  A 701 (-2.9A)
MLR  A 701 (-2.9A)
 0.58A 1dedB-5h05A:
36.1		 1dedB-5h05A:
25.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E71_M_ASCM995_0
(MYROSINASE MA1)		 1urd MALTOSE-BINDING
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 7 GLN A 141
ILE A 288
PHE A  73
PHE A 180
 MLR  A1400 (-3.1A)
None
MLR  A1400 (-4.6A)
None
 1.14A 1e71M-1urdA:
undetectable		 1e71M-1urdA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E72_M_ASCM995_0
(MYROSINASE MA1)		 1urd MALTOSE-BINDING
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 7 GLN A 141
ILE A 288
PHE A  73
PHE A 180
 MLR  A1400 (-3.1A)
None
MLR  A1400 (-4.6A)
None
 1.17A 1e72M-1urdA:
undetectable		 1e72M-1urdA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E73_M_ASCM995_0
(MYROSINASE MA1)		 1urd MALTOSE-BINDING
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 6 GLN A 141
ILE A 288
PHE A  73
PHE A 180
 MLR  A1400 (-3.1A)
None
MLR  A1400 (-4.6A)
None
 1.14A 1e73M-1urdA:
0.0		 1e73M-1urdA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7A_B_PFLB4002_1
(SERUM ALBUMIN)		 1urd MALTOSE-BINDING
PROTEIN
(Alicyclobacillus
acidocaldarius) 		4 / 6 LEU A 309
VAL A  34
SER A  36
GLN A  38
 None
None
None
MLR  A1400 (-3.0A)
 1.01A 1e7aB-1urdA:
0.9		 1e7aB-1urdA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FIQ_C_SALC1335_1
(XANTHINE OXIDASE)		 2gh9 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN
(Thermus
thermophilus) 		5 / 8 LEU A 296
ARG A 305
PHE A 111
THR A  61
VAL A 271
 None
MLR  A2913 (-3.0A)
None
None
None
 1.31A 1fiqC-2gh9A:
undetectable		 1fiqC-2gh9A:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FO4_A_SALA3005_1
(XANTHINE
DEHYDROGENASE)		 2gh9 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN
(Thermus
thermophilus) 		5 / 9 LEU A 296
ARG A 305
PHE A 111
THR A  61
VAL A 271
 None
MLR  A2913 (-3.0A)
None
None
None
 1.32A 1fo4A-2gh9A:
0.0		 1fo4A-2gh9A:
15.44
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.
1JQD_A_HSMA600_1
(HISTAMINE
N-METHYLTRANSFERASE)		 5m28 MALE1
(Lactobacillus
casei) 		4 / 7 PHE A 273
GLU A  76
GLN A  28
VAL A 303
 None
MLR  A 401 ( 4.4A)
MLR  A 401 ( 4.1A)
None
 1.44A 1jqdA-5m28A:
undetectable		 1jqdA-5m28A:
20.20
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 5h05 AMYP
(marine
metagenome) 		7 / 12 TYR A  89
HIS A 129
ARG A 176
ASP A 178
TRP A 223
HIS A 296
ASP A 297
 MLR  A 701 (-4.0A)
MLR  A 701 (-4.2A)
MLR  A 701 (-3.7A)
MLR  A 701 (-3.0A)
None
MLR  A 701 (-4.0A)
MLR  A 701 (-2.9A)
 0.35A 1mxdA-5h05A:
26.8		 1mxdA-5h05A:
21.98
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.
1QU2_A_MRCA1993_2
(ISOLEUCYL-TRNA
SYNTHETASE)		 4edq MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MYOSIN-BINDI
NG PROTEIN C,
CARDIAC-TYPE
CHIMERIC PROTEIN
(Escherichia
coli;
Mus
musculus) 		3 / 3 GLU A 112
TRP A 231
LYS A 274
 MLR  A 500 (-2.2A)
MLR  A 500 (-4.2A)
None
 1.20A 1qu2A-4edqA:
undetectable		 1qu2A-4edqA:
21.15
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.
1QU2_A_MRCA1993_2
(ISOLEUCYL-TRNA
SYNTHETASE)		 4xa2 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MBP-PILA: C
(Acinetobacter
baumannii;
Escherichia
coli) 		3 / 3 GLU A 111
TRP A 230
LYS A 273
 MLR  A1201 (-3.1A)
MLR  A1201 (-4.4A)
None
 1.19A 1qu2A-4xa2A:
undetectable		 1qu2A-4xa2A:
20.63
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.
1QU2_A_MRCA1993_2
(ISOLEUCYL-TRNA
SYNTHETASE)		 5ttd MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PILIN
ISOPEPTIDE LINKAGE
DOMAIN PROTEIN
(Escherichia
coli;
Streptococcus
pyogenes) 		3 / 3 GLU A 117
TRP A 236
LYS A 279
 MLR  A 501 (-2.8A)
MLR  A 501 ( 4.6A)
None
 1.30A 1qu2A-5ttdA:
undetectable		 1qu2A-5ttdA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3o3u MALTOSE-BINDING
PERIPLASMIC PROTEIN,
ADVANCED
GLYCOSYLATION END
PRODUCT-SPECIFIC
RECEPTOR
(Escherichia
coli;
Homo
sapiens) 		5 / 10 LEU N 192
LEU N 195
ILE N 161
GLU N 153
LEU N 151
 None
None
None
MLR  N2001 (-3.2A)
None
 1.24A 1wopA-3o3uN:
undetectable		 1wopA-3o3uN:
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.
1WOP_A_FFOA2888_0
(AMINOMETHYLTRANSFERA
SE)		 3py7 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PAXILLIN
LD1,PROTEIN E6
CHIMERA
(Escherichia
coli;
Homo
sapiens;
Deltapapillomavi
rus
4) 		5 / 10 LEU A 193
LEU A 196
ILE A 162
GLU A 154
LEU A 152
 None
None
None
MLR  A 701 (-3.2A)
None
 1.21A 1wopA-3py7A:
undetectable		 1wopA-3py7A:
22.45
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.
1WOP_A_FFOA2888_0
(AMINOMETHYLTRANSFERA
SE)		 4edq MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MYOSIN-BINDI
NG PROTEIN C,
CARDIAC-TYPE
CHIMERIC PROTEIN
(Escherichia
coli;
Mus
musculus) 		5 / 10 LEU A 193
LEU A 196
ILE A 162
GLU A 154
LEU A 152
 None
None
None
MLR  A 500 (-3.0A)
None
 1.25A 1wopA-4edqA:
undetectable		 1wopA-4edqA:
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.
1WOP_A_FFOA2888_0
(AMINOMETHYLTRANSFERA
SE)		 5ttd MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PILIN
ISOPEPTIDE LINKAGE
DOMAIN PROTEIN
(Escherichia
coli;
Streptococcus
pyogenes) 		5 / 10 LEU A 198
LEU A 201
ILE A 167
GLU A 159
LEU A 157
 None
None
None
MLR  A 501 (-2.8A)
None
 1.21A 1wopA-5ttdA:
undetectable		 1wopA-5ttdA:
23.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AOX_A_THAA400_1
(HISTAMINE
N-METHYLTRANSFERASE)		 5m28 MALE1
(Lactobacillus
casei) 		4 / 8 PHE A 125
GLU A  76
GLN A  28
TYR A  31
 None
MLR  A 401 ( 4.4A)
MLR  A 401 ( 4.1A)
None
 1.04A 2aoxA-5m28A:
undetectable		 2aoxA-5m28A:
20.20
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.
2AOX_A_THAA400_1
(HISTAMINE
N-METHYLTRANSFERASE)		 5m28 MALE1
(Lactobacillus
casei) 		4 / 8 PHE A 273
GLU A  76
GLN A  28
TYR A  31
 None
MLR  A 401 ( 4.4A)
MLR  A 401 ( 4.1A)
None
 1.14A 2aoxA-5m28A:
undetectable		 2aoxA-5m28A:
20.20
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.
2DG4_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		 2fnc MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN
(Thermotoga
maritima) 		5 / 11 TYR A 213
ASP A 217
VAL A 113
ILE A 229
PHE A 159
 MLR  A2913 ( 3.8A)
None
None
None
MLR  A2913 (-4.6A)
 1.06A 2dg4A-2fncA:
undetectable		 2dg4A-2fncA:
15.28
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.
2QMJ_A_ACRA1001_2
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 5m28 MALE1
(Lactobacillus
casei) 		4 / 6 THR A 184
TYR A 167
TRP A 353
THR A 181
 None
None
MLR  A 401 (-2.6A)
None
 1.37A 2qmjA-5m28A:
undetectable		 2qmjA-5m28A:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VE3_B_REAB1445_1
(PUTATIVE CYTOCHROME
P450 120)		 2gh9 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN
(Thermus
thermophilus) 		5 / 12 ALA A  56
ALA A 283
VAL A 271
GLY A 270
GLN A 269
 None
None
None
None
MLR  A2913 (-4.3A)
 1.28A 2ve3B-2gh9A:
undetectable		 2ve3B-2gh9A:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4edq MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MYOSIN-BINDI
NG PROTEIN C,
CARDIAC-TYPE
CHIMERIC PROTEIN
(Escherichia
coli;
Mus
musculus) 		4 / 8 THR A  94
LEU A 286
ASP A 288
GLU A 112
 None
None
None
MLR  A 500 (-2.2A)
 1.02A 2zw9A-4edqA:
undetectable		 2zw9A-4edqA:
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.
2ZW9_A_SAMA801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 5ttd MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PILIN
ISOPEPTIDE LINKAGE
DOMAIN PROTEIN
(Escherichia
coli;
Streptococcus
pyogenes) 		4 / 8 THR A  99
LEU A 291
ASP A 293
GLU A 117
 None
None
None
MLR  A 501 (-2.8A)
 0.98A 2zw9A-5ttdA:
undetectable		 2zw9A-5ttdA:
22.34
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.
3AX9_A_SALA1341_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 2gh9 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN
(Thermus
thermophilus) 		5 / 8 LEU A 296
ARG A 305
PHE A 111
THR A  61
VAL A 271
 None
MLR  A2913 (-3.0A)
None
None
None
 1.33A 3ax9A-2gh9A:
undetectable		 3ax9A-2gh9A:
15.44
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.
3EEY_C_SAMC300_1
(PUTATIVE RRNA
METHYLASE)		 2fnc MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN
(Thermotoga
maritima) 		3 / 3 ASN A 230
ASP A 301
GLN A  15
 None
None
MLR  A2913 ( 3.9A)
 0.79A 3eeyC-2fncA:
undetectable		 3eeyC-2fncA:
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.
3EEY_D_SAMD300_1
(PUTATIVE RRNA
METHYLASE)		 2fnc MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN
(Thermotoga
maritima) 		3 / 3 ASN A 230
ASP A 301
GLN A  15
 None
None
MLR  A2913 ( 3.9A)
 0.79A 3eeyD-2fncA:
undetectable		 3eeyD-2fncA:
24.28
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)		 3o3u MALTOSE-BINDING
PERIPLASMIC PROTEIN,
ADVANCED
GLYCOSYLATION END
PRODUCT-SPECIFIC
RECEPTOR
(Escherichia
coli;
Homo
sapiens) 		12 / 12 ASP N  14
LYS N  15
LYS N  42
GLU N  44
GLU N  45
ALA N  63
ASP N  65
ARG N  66
GLU N 111
PRO N 154
TRP N 230
TYR N 341
 MLR  N2001 (-3.0A)
MLR  N2001 (-2.8A)
None
MLR  N2001 (-3.6A)
MLR  N2001 (-4.1A)
MLR  N2001 (-3.3A)
MLR  N2001 (-2.9A)
MLR  N2001 (-3.9A)
MLR  N2001 (-2.9A)
MLR  N2001 (-3.5A)
MLR  N2001 (-4.4A)
MLR  N2001 (-4.4A)
 0.24A 3jyrA-3o3uN:
63.3		 3jyrA-3o3uN:
71.81
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)		 3ob4 MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
ARAH 2
(Arachis
duranensis;
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
 MLR  A 400 (-3.1A)
MLR  A 400 (-2.6A)
None
MLR  A 400 (-3.8A)
MLR  A 400 ( 4.6A)
MLR  A 400 (-2.9A)
MLR  A 400 (-2.7A)
MLR  A 400 (-3.8A)
MLR  A 400 (-2.7A)
MLR  A 400 (-3.7A)
MLR  A 400 (-4.3A)
MLR  A 400 (-4.7A)
 0.41A 3jyrA-3ob4A:
62.3		 3jyrA-3ob4A:
68.20
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)		 3py7 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PAXILLIN
LD1,PROTEIN E6
CHIMERA
(Deltapapillomavi
rus
4;
Escherichia
coli;
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
 MLR  A 701 (-3.0A)
MLR  A 701 (-2.7A)
None
MLR  A 701 (-3.6A)
MLR  A 701 (-4.2A)
MLR  A 701 (-3.3A)
MLR  A 701 (-2.8A)
MLR  A 701 (-3.8A)
MLR  A 701 (-3.0A)
MLR  A 701 (-3.6A)
MLR  A 701 ( 4.5A)
MLR  A 701 (-4.3A)
 0.37A 3jyrA-3py7A:
62.9		 3jyrA-3py7A:
68.04
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)		 4edq MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MYOSIN-BINDI
NG PROTEIN C,
CARDIAC-TYPE
CHIMERIC PROTEIN
(Escherichia
coli;
Mus
musculus) 		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
 MLR  A 500 (-1.9A)
MLR  A 500 (-2.7A)
None
MLR  A 500 (-2.6A)
MLR  A 500 (-3.4A)
MLR  A 500 (-2.8A)
MLR  A 500 (-2.1A)
MLR  A 500 (-3.6A)
MLR  A 500 (-2.2A)
MLR  A 500 (-3.0A)
MLR  A 500 (-4.2A)
MLR  A 500 (-3.7A)
 0.23A 3jyrA-4edqA:
60.8		 3jyrA-4edqA:
71.63
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)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		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
 MLR  A 700 (-3.0A)
MLR  A 700 (-2.5A)
None
MLR  A 700 (-3.2A)
MLR  A 700 (-4.1A)
MLR  A 700 (-3.2A)
MLR  A 700 (-2.7A)
MLR  A 700 (-2.9A)
MLR  A 700 (-3.0A)
MLR  A 700 (-3.6A)
MLR  A 700 (-4.4A)
MLR  A 700 (-3.9A)
 0.45A 3jyrA-4pqkA:
54.4		 3jyrA-4pqkA:
76.64
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)		 4xa2 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MBP-PILA: C
(Acinetobacter
baumannii;
Escherichia
coli) 		11 / 12 ASP A  14
LYS A  15
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
 MLR  A1201 (-3.2A)
MLR  A1201 (-2.9A)
MLR  A1201 (-3.5A)
MLR  A1201 (-3.8A)
MLR  A1201 (-3.3A)
MLR  A1201 (-2.9A)
MLR  A1201 (-4.0A)
MLR  A1201 (-3.1A)
MLR  A1201 (-3.5A)
MLR  A1201 (-4.4A)
MLR  A1201 (-4.1A)
 0.34A 3jyrA-4xa2A:
62.4		 3jyrA-4xa2A:
73.50
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)		 5c7r FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND TYPE-3
ICE-STRUCTURING
PROTEIN HPLC 12
(Escherichia
coli;
Zoarces
americanus) 		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
 MLR  A 501 (-2.9A)
MLR  A 501 (-2.6A)
None
MLR  A 501 (-3.8A)
MLR  A 501 (-4.2A)
MLR  A 501 (-3.2A)
MLR  A 501 (-2.8A)
MLR  A 501 (-3.5A)
MLR  A 501 (-2.9A)
MLR  A 501 (-3.4A)
MLR  A 501 ( 4.5A)
MLR  A 501 ( 4.3A)
 0.37A 3jyrA-5c7rA:
62.7		 3jyrA-5c7rA:
76.59
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)		 5hz7 COMP
(Neisseria
meningitidis) 		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
 MLR  A 501 (-2.2A)
MLR  A 501 (-2.6A)
BGC  A 504 (-2.5A)
BGC  A 504 ( 2.4A)
BGC  A 504 (-2.2A)
MLR  A 501 (-3.0A)
MLR  A 501 (-2.8A)
MLR  A 501 (-3.8A)
MLR  A 501 (-2.4A)
MLR  A 501 (-2.6A)
MLR  A 501 (-3.3A)
MLR  A 501 ( 3.4A)
 0.30A 3jyrA-5hz7A:
62.8		 3jyrA-5hz7A:
66.99
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)		 5ttd MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PILIN
ISOPEPTIDE LINKAGE
DOMAIN PROTEIN
(Escherichia
coli;
Streptococcus
pyogenes) 		10 / 12 ASP A  20
LYS A  21
GLU A  50
GLU A  51
ALA A  69
ASP A  71
ARG A  72
GLU A 117
PRO A 160
TRP A 236
 MLR  A 501 (-3.0A)
MLR  A 501 (-2.5A)
MLR  A 501 (-3.9A)
MLR  A 501 (-3.8A)
MLR  A 501 (-3.3A)
MLR  A 501 (-2.8A)
MLR  A 501 (-3.6A)
MLR  A 501 (-2.8A)
MLR  A 501 (-3.6A)
MLR  A 501 ( 4.6A)
 0.35A 3jyrA-5ttdA:
61.3		 3jyrA-5ttdA:
66.47
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)		 3o3u MALTOSE-BINDING
PERIPLASMIC PROTEIN,
ADVANCED
GLYCOSYLATION END
PRODUCT-SPECIFIC
RECEPTOR
(Escherichia
coli;
Homo
sapiens) 		7 / 7 ASN N  12
TRP N  62
GLU N 153
TYR N 155
MET N 330
TRP N 340
ARG N 344
 MLR  N2001 ( 4.7A)
MLR  N2001 (-4.3A)
MLR  N2001 (-3.2A)
MLR  N2001 (-3.8A)
MLR  N2001 ( 4.3A)
MLR  N2001 (-3.8A)
None
 0.18A 3jyrA-3o3uN:
63.3		 3jyrA-3o3uN:
71.81
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)		 3ob4 MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
ARAH 2
(Arachis
duranensis;
Escherichia
coli) 		6 / 7 ASN A  12
TRP A  62
GLU A 153
TYR A 155
MET A 330
TRP A 340
 MLR  A 400 ( 4.9A)
MLR  A 400 (-4.5A)
MLR  A 400 (-2.9A)
MLR  A 400 (-4.0A)
MLR  A 400 (-4.3A)
MLR  A 400 (-3.8A)
 0.27A 3jyrA-3ob4A:
62.3		 3jyrA-3ob4A:
68.20
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)		 3ob4 MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
ARAH 2
(Arachis
duranensis;
Escherichia
coli) 		6 / 7 ASN A  12
TRP A  62
TYR A 155
MET A 330
TRP A 340
ARG A 344
 MLR  A 400 ( 4.9A)
MLR  A 400 (-4.5A)
MLR  A 400 (-4.0A)
MLR  A 400 (-4.3A)
MLR  A 400 (-3.8A)
None
 0.62A 3jyrA-3ob4A:
62.3		 3jyrA-3ob4A:
68.20
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)		 3py7 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PAXILLIN
LD1,PROTEIN E6
CHIMERA
(Deltapapillomavi
rus
4;
Escherichia
coli;
Homo
sapiens) 		7 / 7 ASN A  13
TRP A  63
GLU A 154
TYR A 156
MET A 331
TRP A 341
ARG A 345
 MLR  A 701 ( 4.6A)
MLR  A 701 (-4.4A)
MLR  A 701 (-3.2A)
MLR  A 701 (-3.8A)
MLR  A 701 ( 4.2A)
MLR  A 701 (-4.0A)
None
 0.23A 3jyrA-3py7A:
62.9		 3jyrA-3py7A:
68.04
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)		 4edq MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MYOSIN-BINDI
NG PROTEIN C,
CARDIAC-TYPE
CHIMERIC PROTEIN
(Escherichia
coli;
Mus
musculus) 		6 / 7 ASN A  13
TRP A  63
GLU A 154
TYR A 156
MET A 331
TRP A 341
 MLR  A 500 (-4.6A)
MLR  A 500 (-4.2A)
MLR  A 500 (-3.0A)
MLR  A 500 (-2.9A)
MLR  A 500 ( 3.5A)
MLR  A 500 (-2.9A)
 0.22A 3jyrA-4edqA:
60.8		 3jyrA-4edqA:
71.63
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)		 4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA
(Escherichia
coli;
Staphylococcus
aureus) 		6 / 7 ASN A  13
TRP A  63
GLU A 154
TYR A 156
MET A 331
TRP A 341
 MLR  A 700 (-4.7A)
MLR  A 700 (-4.6A)
MLR  A 700 (-4.0A)
MLR  A 700 (-3.8A)
MLR  A 700 (-4.1A)
MLR  A 700 (-4.0A)
 0.42A 3jyrA-4pqkA:
54.4		 3jyrA-4pqkA:
76.64
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)		 4xa2 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MBP-PILA: C
(Acinetobacter
baumannii;
Escherichia
coli) 		6 / 7 ASN A  12
TRP A  62
GLU A 153
TYR A 155
MET A 330
TRP A 340
 MLR  A1201 ( 4.7A)
MLR  A1201 (-4.4A)
MLR  A1201 (-3.2A)
MLR  A1201 (-3.8A)
MLR  A1201 ( 4.4A)
MLR  A1201 (-4.1A)
 0.21A 3jyrA-4xa2A:
62.4		 3jyrA-4xa2A:
73.50
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)		 5c7r FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND TYPE-3
ICE-STRUCTURING
PROTEIN HPLC 12
(Escherichia
coli;
Zoarces
americanus) 		6 / 7 ASN A  12
TRP A  62
GLU A 153
TYR A 155
MET A 330
TRP A 340
 MLR  A 501 (-4.7A)
MLR  A 501 (-4.5A)
MLR  A 501 (-3.2A)
MLR  A 501 (-3.9A)
MLR  A 501 ( 4.3A)
MLR  A 501 (-4.0A)
 0.14A 3jyrA-5c7rA:
62.7		 3jyrA-5c7rA:
76.59
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)		 5c7r FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND TYPE-3
ICE-STRUCTURING
PROTEIN HPLC 12
(Escherichia
coli;
Zoarces
americanus) 		6 / 7 ASN A  12
TRP A  62
TYR A 155
MET A 330
TRP A 340
ARG A 344
 MLR  A 501 (-4.7A)
MLR  A 501 (-4.5A)
MLR  A 501 (-3.9A)
MLR  A 501 ( 4.3A)
MLR  A 501 (-4.0A)
None
 0.57A 3jyrA-5c7rA:
62.7		 3jyrA-5c7rA:
76.59
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)		 5hz7 COMP
(Neisseria
meningitidis) 		6 / 7 ASN A  13
TRP A  63
GLU A 154
TYR A 156
MET A 331
TRP A 341
 MLR  A 501 ( 4.6A)
MLR  A 501 (-4.0A)
MLR  A 501 (-2.6A)
MLR  A 501 (-2.8A)
MLR  A 501 (-3.7A)
MLR  A 501 (-3.1A)
 0.18A 3jyrA-5hz7A:
62.8		 3jyrA-5hz7A:
66.99
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)		 5hz7 COMP
(Neisseria
meningitidis) 		6 / 7 ASN A  13
TRP A  63
TYR A 156
MET A 331
TRP A 341
ARG A 345
 MLR  A 501 ( 4.6A)
MLR  A 501 (-4.0A)
MLR  A 501 (-2.8A)
MLR  A 501 (-3.7A)
MLR  A 501 (-3.1A)
BGC  A 504 ( 3.9A)
 0.60A 3jyrA-5hz7A:
62.8		 3jyrA-5hz7A:
66.99
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)		 5ttd MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PILIN
ISOPEPTIDE LINKAGE
DOMAIN PROTEIN
(Escherichia
coli;
Streptococcus
pyogenes) 		6 / 7 ASN A  18
TRP A  68
GLU A 159
TYR A 161
MET A 336
TRP A 346
 MLR  A 501 (-4.2A)
MLR  A 501 (-4.4A)
MLR  A 501 (-2.8A)
MLR  A 501 (-3.9A)
MLR  A 501 ( 4.4A)
MLR  A 501 (-3.9A)
 0.22A 3jyrA-5ttdA:
61.3		 3jyrA-5ttdA:
66.47
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)		 5ttd MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PILIN
ISOPEPTIDE LINKAGE
DOMAIN PROTEIN
(Escherichia
coli;
Streptococcus
pyogenes) 		6 / 7 ASN A  18
TRP A  68
TYR A 161
MET A 336
TRP A 346
ARG A 350
 MLR  A 501 (-4.2A)
MLR  A 501 (-4.4A)
MLR  A 501 (-3.9A)
MLR  A 501 ( 4.4A)
MLR  A 501 (-3.9A)
MLR  A 501 (-4.8A)
 0.58A 3jyrA-5ttdA:
61.3		 3jyrA-5ttdA:
66.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SPK_B_TPVB100_1
(HIV-1 PROTEASE)		 2gh9 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN
(Thermus
thermophilus) 		5 / 9 ARG A 305
ASN A 300
VAL A 313
GLY A 324
ILE A 249
 MLR  A2913 (-3.0A)
None
None
None
None
 1.30A 3spkA-2gh9A:
undetectable		 3spkA-2gh9A:
15.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 3o3u MALTOSE-BINDING
PERIPLASMIC PROTEIN,
ADVANCED
GLYCOSYLATION END
PRODUCT-SPECIFIC
RECEPTOR
(Escherichia
coli;
Homo
sapiens) 		5 / 12 PHE N 156
GLY N 300
LEU N 299
GLU N 111
ALA N 231
 None
None
None
MLR  N2001 (-2.9A)
None
 0.84A 3tbgB-3o3uN:
undetectable		 3tbgB-3o3uN:
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.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 3ob4 MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
ARAH 2
(Arachis
duranensis;
Escherichia
coli) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 None
None
None
MLR  A 400 (-2.7A)
None
 0.87A 3tbgB-3ob4A:
undetectable		 3tbgB-3ob4A:
20.15
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.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 3py7 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PAXILLIN
LD1,PROTEIN E6
CHIMERA
(Deltapapillomavi
rus
4;
Escherichia
coli;
Homo
sapiens) 		5 / 12 PHE A 157
GLY A 301
LEU A 300
GLU A 112
ALA A 232
 None
None
None
MLR  A 701 (-3.0A)
None
 0.86A 3tbgB-3py7A:
undetectable		 3tbgB-3py7A:
21.01
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)		 4edq MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MYOSIN-BINDI
NG PROTEIN C,
CARDIAC-TYPE
CHIMERIC PROTEIN
(Escherichia
coli;
Mus
musculus) 		5 / 12 PHE A 157
GLY A 301
LEU A 300
GLU A 112
ALA A 232
 MLR  A 500 (-4.0A)
None
None
MLR  A 500 (-2.2A)
None
 0.86A 3tbgB-4edqA:
undetectable		 3tbgB-4edqA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4xa2 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MBP-PILA: C
(Acinetobacter
baumannii;
Escherichia
coli) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 None
None
None
MLR  A1201 (-3.1A)
None
 0.84A 3tbgB-4xa2A:
undetectable		 3tbgB-4xa2A:
21.28
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.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 5c7r FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND TYPE-3
ICE-STRUCTURING
PROTEIN HPLC 12
(Escherichia
coli;
Zoarces
americanus) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 None
None
None
MLR  A 501 (-2.9A)
None
 0.88A 3tbgB-5c7rA:
undetectable		 3tbgB-5c7rA:
21.71
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.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 5hz7 COMP
(Neisseria
meningitidis) 		5 / 12 PHE A 157
GLY A 301
LEU A 300
GLU A 112
ALA A 232
 MLR  A 501 ( 4.2A)
NA  A 507 (-3.5A)
None
MLR  A 501 (-2.4A)
None
 0.85A 3tbgB-5hz7A:
undetectable		 3tbgB-5hz7A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		 5ttd MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PILIN
ISOPEPTIDE LINKAGE
DOMAIN PROTEIN
(Escherichia
coli;
Streptococcus
pyogenes) 		5 / 12 PHE A 162
GLY A 306
LEU A 305
GLU A 117
ALA A 237
 None
None
None
MLR  A 501 (-2.8A)
None
 0.85A 3tbgB-5ttdA:
undetectable		 3tbgB-5ttdA:
21.45
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.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 3o3u MALTOSE-BINDING
PERIPLASMIC PROTEIN,
ADVANCED
GLYCOSYLATION END
PRODUCT-SPECIFIC
RECEPTOR
(Escherichia
coli;
Homo
sapiens) 		5 / 12 PHE N 156
GLY N 300
LEU N 299
GLU N 111
ALA N 231
 None
None
None
MLR  N2001 (-2.9A)
None
 0.83A 3tbgD-3o3uN:
undetectable		 3tbgD-3o3uN:
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.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 3ob4 MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
ARAH 2
(Arachis
duranensis;
Escherichia
coli) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 None
None
None
MLR  A 400 (-2.7A)
None
 0.85A 3tbgD-3ob4A:
undetectable		 3tbgD-3ob4A:
20.15
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.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 3py7 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PAXILLIN
LD1,PROTEIN E6
CHIMERA
(Deltapapillomavi
rus
4;
Escherichia
coli;
Homo
sapiens) 		5 / 12 PHE A 157
GLY A 301
LEU A 300
GLU A 112
ALA A 232
 None
None
None
MLR  A 701 (-3.0A)
None
 0.83A 3tbgD-3py7A:
undetectable		 3tbgD-3py7A:
21.01
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)		 4edq MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MYOSIN-BINDI
NG PROTEIN C,
CARDIAC-TYPE
CHIMERIC PROTEIN
(Escherichia
coli;
Mus
musculus) 		5 / 12 PHE A 157
GLY A 301
LEU A 300
GLU A 112
ALA A 232
 MLR  A 500 (-4.0A)
None
None
MLR  A 500 (-2.2A)
None
 0.85A 3tbgD-4edqA:
undetectable		 3tbgD-4edqA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4xa2 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MBP-PILA: C
(Acinetobacter
baumannii;
Escherichia
coli) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 None
None
None
MLR  A1201 (-3.1A)
None
 0.82A 3tbgD-4xa2A:
undetectable		 3tbgD-4xa2A:
21.28
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.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 5c7r FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND TYPE-3
ICE-STRUCTURING
PROTEIN HPLC 12
(Escherichia
coli;
Zoarces
americanus) 		5 / 12 PHE A 156
GLY A 300
LEU A 299
GLU A 111
ALA A 231
 None
None
None
MLR  A 501 (-2.9A)
None
 0.86A 3tbgD-5c7rA:
undetectable		 3tbgD-5c7rA:
21.71
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.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 5hz7 COMP
(Neisseria
meningitidis) 		5 / 12 PHE A 157
GLY A 301
LEU A 300
GLU A 112
ALA A 232
 MLR  A 501 ( 4.2A)
NA  A 507 (-3.5A)
None
MLR  A 501 (-2.4A)
None
 0.83A 3tbgD-5hz7A:
undetectable		 3tbgD-5hz7A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 5ttd MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PILIN
ISOPEPTIDE LINKAGE
DOMAIN PROTEIN
(Escherichia
coli;
Streptococcus
pyogenes) 		5 / 12 PHE A 162
GLY A 306
LEU A 305
GLU A 117
ALA A 237
 None
None
None
MLR  A 501 (-2.8A)
None
 0.84A 3tbgD-5ttdA:
undetectable		 3tbgD-5ttdA:
21.45
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.
3UNA_A_SALA1340_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 2gh9 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN
(Thermus
thermophilus) 		5 / 9 LEU A 296
ARG A 305
PHE A 111
THR A  61
VAL A 271
 None
MLR  A2913 (-3.0A)
None
None
None
 1.32A 3unaA-2gh9A:
undetectable		 3unaA-2gh9A:
15.44
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.
3UNA_B_SALB1340_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 2gh9 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN
(Thermus
thermophilus) 		5 / 9 LEU A 296
ARG A 305
PHE A 111
THR A  61
VAL A 271
 None
MLR  A2913 (-3.0A)
None
None
None
 1.31A 3unaB-2gh9A:
0.0		 3unaB-2gh9A:
15.44
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.
3UNC_A_SALA1338_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 2gh9 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN
(Thermus
thermophilus) 		5 / 9 LEU A 296
ARG A 305
PHE A 111
THR A  61
VAL A 271
 None
MLR  A2913 (-3.0A)
None
None
None
 1.32A 3uncA-2gh9A:
0.0		 3uncA-2gh9A:
15.44
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.
3UNC_B_SALB1338_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 2gh9 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN
(Thermus
thermophilus) 		5 / 9 LEU A 296
ARG A 305
PHE A 111
THR A  61
VAL A 271
 None
MLR  A2913 (-3.0A)
None
None
None
 1.31A 3uncB-2gh9A:
0.0		 3uncB-2gh9A:
15.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BQF_A_QPSA951_1
(ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC)		 4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC
(Arabidopsis
thaliana) 		4 / 6 MET A 352
TRP A 363
GLU A 407
ARG A 411
 None
None
MLR  A 951 (-2.9A)
MLR  A 951 (-4.1A)
 1.31A 4bqfA-4bqiA:
64.3		 4bqfA-4bqiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BQF_A_QPSA951_1
(ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC)		 4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC
(Arabidopsis
thaliana) 		6 / 6 MET A 356
GLY A 362
TRP A 363
ARG A 400
GLU A 407
ARG A 411
 MLR  A 951 ( 3.7A)
MLR  A 951 (-3.6A)
None
MLR  A 951 (-2.9A)
MLR  A 951 (-2.9A)
MLR  A 951 (-4.1A)
 0.19A 4bqfA-4bqiA:
64.3		 4bqfA-4bqiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BQF_B_QPSB951_1
(ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC)		 4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC
(Arabidopsis
thaliana) 		8 / 8 ARG A 217
MET A 356
TRP A 363
ARG A 400
GLU A 403
GLU A 407
LYS A 410
ARG A 411
 MLR  A 951 (-3.8A)
MLR  A 951 ( 3.7A)
None
MLR  A 951 (-2.9A)
MLR  A 951 ( 3.9A)
MLR  A 951 (-2.9A)
MLR  A 951 ( 4.4A)
MLR  A 951 (-4.1A)
 0.20A 4bqfB-4bqiA:
63.6		 4bqfB-4bqiA:
100.00
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.
4J4V_D_SVRD301_1
(NUCLEOCAPSID PROTEIN)		 5h05 AMYP
(marine
metagenome) 		5 / 11 GLY A 128
ARG A 176
ALA A 220
VAL A 183
PRO A 143
 None
MLR  A 701 (-3.7A)
None
None
None
 1.36A 4j4vD-5h05A:
undetectable
4j4vE-5h05A:
undetectable		 4j4vD-5h05A:
17.83
4j4vE-5h05A:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N48_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 3o3u MALTOSE-BINDING
PERIPLASMIC PROTEIN,
ADVANCED
GLYCOSYLATION END
PRODUCT-SPECIFIC
RECEPTOR
(Escherichia
coli;
Homo
sapiens) 		4 / 5 ASN N 267
ALA N  51
GLY N  56
ASP N  14
 None
None
None
MLR  N2001 (-3.0A)
 0.95A 4n48A-3o3uN:
undetectable		 4n48A-3o3uN:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N48_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 3ob4 MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
ARAH 2
(Escherichia
coli;
Arachis
duranensis) 		4 / 5 ASN A 267
ALA A  51
GLY A  56
ASP A  14
 None
None
None
MLR  A 400 (-3.1A)
 0.98A 4n48A-3ob4A:
undetectable		 4n48A-3ob4A:
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)		 3py7 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PAXILLIN
LD1,PROTEIN E6
CHIMERA
(Escherichia
coli;
Homo
sapiens;
Deltapapillomavi
rus
4) 		4 / 5 ASN A 268
ALA A  52
GLY A  57
ASP A  15
 None
None
None
MLR  A 701 (-3.0A)
 0.99A 4n48A-3py7A:
undetectable		 4n48A-3py7A:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5hz7 COMP
(Neisseria
meningitidis) 		4 / 5 ASN A 268
ALA A  52
GLY A  57
ASP A  15
 None
None
None
MLR  A 501 (-2.2A)
 0.97A 4n48A-5hz7A:
undetectable		 4n48A-5hz7A:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UAC_A_ACRA501_1
(CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-))		 2fnc MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN
(Thermotoga
maritima) 		5 / 12 LYS A  45
ALA A  64
ASP A  66
ASN A 156
TRP A 233
 None
MLR  A2913 (-3.1A)
MLR  A2913 (-2.8A)
MLR  A2913 (-2.7A)
MLR  A2913 (-4.0A)
 0.83A 4uacA-2fncA:
37.3		 4uacA-2fncA:
24.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UAC_A_ACRA501_1
(CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-))		 5m28 MALE1
(Lactobacillus
casei) 		5 / 12 ALA A  78
ASP A  80
GLN A  81
ASN A 162
TRP A 234
 MLR  A 401 (-3.0A)
MLR  A 401 (-2.1A)
MLR  A 401 (-3.9A)
MLR  A 401 (-3.3A)
MLR  A 401 (-2.8A)
 0.55A 4uacA-5m28A:
46.2		 4uacA-5m28A:
33.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z2E_H_TR6H101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
SYMMETRIZED E-SITE
DNA)		 4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC
(Arabidopsis
thaliana) 		3 / 5 GLY A 360
GLY A 362
GLU A 365
 None
MLR  A 951 (-3.6A)
None
 0.42A 4z2eA-4bqiA:
undetectable
4z2eD-4bqiA:
2.7		 4z2eA-4bqiA:
19.00
4z2eD-4bqiA:
16.95
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.
4ZGF_A_BEZA210_0
(UNCHARACTERIZED
PROTEIN)		 5m28 MALE1
(Lactobacillus
casei) 		4 / 4 VAL A  64
ALA A  60
ASN A  59
GLN A  81
 None
None
None
MLR  A 401 (-3.9A)
 1.45A 4zgfA-5m28A:
undetectable		 4zgfA-5m28A:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AMK_A_EF2A151_1
(CEREBLON ISOFORM 4)		 5h05 AMYP
(marine
metagenome) 		4 / 8 ASN A 148
PRO A 149
PHE A  90
TYR A  94
 None
None
MLR  A 701 (-4.5A)
None
 1.11A 5amkA-5h05A:
undetectable		 5amkA-5h05A:
12.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HKG_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B)		 2fnc MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN
(Thermotoga
maritima) 		5 / 12 TYR A 213
ASP A 217
VAL A 113
ILE A 229
PHE A 159
 MLR  A2913 ( 3.8A)
None
None
None
MLR  A2913 (-4.6A)
 1.04A 5hkgA-2fncA:
undetectable		 5hkgA-2fncA:
14.25
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.
5KIR_B_RCXB601_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3ob4 MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
ARAH 2
(Arachis
duranensis;
Escherichia
coli) 		4 / 4 LEU A  76
ARG A  66
ILE A  60
PHE A  47
 None
MLR  A 400 (-3.8A)
None
None
 1.27A 5kirB-3ob4A:
undetectable		 5kirB-3ob4A:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KIR_B_RCXB601_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5c7r FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND TYPE-3
ICE-STRUCTURING
PROTEIN HPLC 12
(Escherichia
coli;
Zoarces
americanus) 		4 / 4 LEU A  76
ARG A  66
ILE A  60
PHE A  47
 None
MLR  A 501 (-3.5A)
None
None
 1.30A 5kirB-5c7rA:
undetectable		 5kirB-5c7rA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NU7_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 4)		 2fnc MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN
(Thermotoga
maritima) 		4 / 8 ALA A 289
VAL A  36
TYR A 108
GLN A  15
 None
None
None
MLR  A2913 ( 3.9A)
 0.83A 5nu7A-2fncA:
undetectable		 5nu7A-2fncA:
17.77
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 5h05 AMYP
(marine
metagenome) 		5 / 12 TYR A  89
HIS A 129
ASP A 178
HIS A 296
ASP A 297
 MLR  A 701 (-4.0A)
MLR  A 701 (-4.2A)
MLR  A 701 (-3.0A)
MLR  A 701 (-4.0A)
MLR  A 701 (-2.9A)
 0.55A 6ag0A-5h05A:
24.9		 6ag0A-5h05A:
7.54
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.
6B58_A_ACTA603_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 3o3u MALTOSE-BINDING
PERIPLASMIC PROTEIN,
ADVANCED
GLYCOSYLATION END
PRODUCT-SPECIFIC
RECEPTOR
(Escherichia
coli;
Homo
sapiens) 		3 / 3 TYR N 155
ASN N 227
LEU N 113
 MLR  N2001 (-3.8A)
None
None
 0.81A 6b58A-3o3uN:
undetectable		 6b58A-3o3uN:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3ob4 MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
ARAH 2
(Escherichia
coli;
Arachis
duranensis) 		3 / 3 TYR A 155
ASN A 227
LEU A 113
 MLR  A 400 (-4.0A)
None
None
 0.77A 6b58A-3ob4A:
undetectable		 6b58A-3ob4A:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3py7 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PAXILLIN
LD1,PROTEIN E6
CHIMERA
(Escherichia
coli;
Homo
sapiens;
Deltapapillomavi
rus
4) 		3 / 3 TYR A 156
ASN A 228
LEU A 114
 MLR  A 701 (-3.8A)
None
None
 0.82A 6b58A-3py7A:
undetectable		 6b58A-3py7A:
21.25
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)		 4edq MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MYOSIN-BINDI
NG PROTEIN C,
CARDIAC-TYPE
CHIMERIC PROTEIN
(Escherichia
coli;
Mus
musculus) 		3 / 3 TYR A 156
ASN A 228
LEU A 114
 MLR  A 500 (-2.9A)
None
None
 0.79A 6b58A-4edqA:
undetectable		 6b58A-4edqA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B58_A_ACTA603_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 4xa2 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MBP-PILA: C
(Acinetobacter
baumannii;
Escherichia
coli) 		3 / 3 TYR A 155
ASN A 227
LEU A 113
 MLR  A1201 (-3.8A)
None
None
 0.82A 6b58A-4xa2A:
undetectable		 6b58A-4xa2A:
22.63
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.
6B58_A_ACTA603_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 5c7r FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND TYPE-3
ICE-STRUCTURING
PROTEIN HPLC 12
(Escherichia
coli;
Zoarces
americanus) 		3 / 3 TYR A 155
ASN A 227
LEU A 113
 MLR  A 501 (-3.9A)
None
None
 0.79A 6b58A-5c7rA:
undetectable		 6b58A-5c7rA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5hz7 COMP
(Neisseria
meningitidis) 		3 / 3 TYR A 156
ASN A 228
LEU A 114
 MLR  A 501 (-2.8A)
None
None
 0.84A 6b58A-5hz7A:
undetectable		 6b58A-5hz7A:
22.00
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 5m28 MALE1
(Lactobacillus
casei) 		4 / 6 TYR A 164
GLN A  81
VAL A  77
ALA A 266
 MLR  A 401 (-2.8A)
MLR  A 401 (-3.9A)
None
None
 1.23A 6djzB-5m28A:
undetectable		 6djzB-5m28A:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_B_TA1B501_2
(TUBULIN BETA CHAIN)		 4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC
(Arabidopsis
thaliana) 		4 / 5 LEU A 309
THR A 345
ARG A 400
ARG A 411
 None
None
MLR  A 951 (-2.9A)
MLR  A 951 (-4.1A)
 1.00A 6ew0B-4bqiA:
undetectable		 6ew0B-4bqiA:
7.21
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.
6EW0_D_TA1D501_2
(TUBULIN BETA CHAIN)		 4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC
(Arabidopsis
thaliana) 		4 / 5 LEU A 309
THR A 345
ARG A 400
ARG A 411
 None
None
MLR  A 951 (-2.9A)
MLR  A 951 (-4.1A)
 1.01A 6ew0D-4bqiA:
undetectable		 6ew0D-4bqiA:
7.21
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.
6EW0_G_TA1G501_2
(TUBULIN BETA CHAIN)		 4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC
(Arabidopsis
thaliana) 		4 / 6 LEU A 309
THR A 345
ARG A 400
ARG A 411
 None
None
MLR  A 951 (-2.9A)
MLR  A 951 (-4.1A)
 1.01A 6ew0G-4bqiA:
undetectable		 6ew0G-4bqiA:
7.21
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.
6EW0_H_TA1H501_2
(TUBULIN BETA CHAIN)		 4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC
(Arabidopsis
thaliana) 		4 / 5 LEU A 309
THR A 345
ARG A 400
ARG A 411
 None
None
MLR  A 951 (-2.9A)
MLR  A 951 (-4.1A)
 1.01A 6ew0H-4bqiA:
undetectable		 6ew0H-4bqiA:
7.21
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.
6EW0_I_TA1I501_2
(TUBULIN BETA CHAIN)		 4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC
(Arabidopsis
thaliana) 		4 / 5 LEU A 309
THR A 345
ARG A 400
ARG A 411
 None
None
MLR  A 951 (-2.9A)
MLR  A 951 (-4.1A)
 1.01A 6ew0I-4bqiA:
undetectable		 6ew0I-4bqiA:
7.21