SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'GAL'


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.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 1dbn PROTEIN
(LEUKOAGGLUTININ)
(Maackia
amurensis) 		5 / 12 GLY A  88
GLU A 127
HIS A 145
ASP A 140
ASP A 137
 None
MN  A 302 (-2.8A)
MN  A 302 (-3.2A)
MN  A 302 ( 2.5A)
GAL  A 823 ( 3.1A)
 1.11A 1a4lD-1dbnA:
undetectable		 1a4lD-1dbnA:
22.98
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.
1CEA_A_ACAA90_1
(PLASMINOGEN)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		4 / 8 ASP A 277
ASP A 248
TYR A 358
THR A 294
 GAL  A 401 (-2.8A)
None
TRS  A 402 (-2.9A)
None
 1.48A 1ceaA-4wwhA:
undetectable
1ceaB-4wwhA:
undetectable		 1ceaA-4wwhA:
12.86
1ceaB-4wwhA:
12.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7B_A_HLTA4001_1
(SERUM ALBUMIN)		 5k6o B-GLUCOSIDASE
(metagenome) 		4 / 5 ARG A 538
ALA A 510
ASP A 540
GLY A 501
 GAL  A1000 (-4.4A)
GAL  A1000 ( 4.4A)
None
None
 1.04A 1e7bA-5k6oA:
undetectable		 1e7bA-5k6oA:
20.53
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.
1E7C_A_HLTA4001_1
(SERUM ALBUMIN)		 5k6o B-GLUCOSIDASE
(metagenome) 		4 / 5 ARG A 538
ALA A 510
ASP A 540
GLY A 501
 GAL  A1000 (-4.4A)
GAL  A1000 ( 4.4A)
None
None
 0.90A 1e7cA-5k6oA:
undetectable		 1e7cA-5k6oA:
20.53
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.
1F9G_A_ASCA950_0
(HYALURONATE LYASE)		 2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN
(Paraburkholderia
phytofirmans) 		4 / 7 ASN A 131
TRP A 130
TYR A  55
ARG A  48
 GAL  A 368 (-3.7A)
GAL  A 368 ( 4.0A)
SO4  A 370 ( 4.2A)
GAL  A 368 ( 3.0A)
 1.25A 1f9gA-2rjoA:
undetectable		 1f9gA-2rjoA:
19.21
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.
1F9G_A_ASCA950_0
(HYALURONATE LYASE)		 2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN
(Paraburkholderia
phytofirmans) 		4 / 7 ASN A 131
TRP A 130
TYR A  55
ASN A 183
 GAL  A 368 (-3.7A)
GAL  A 368 ( 4.0A)
SO4  A 370 ( 4.2A)
GAL  A 368 (-4.3A)
 1.47A 1f9gA-2rjoA:
undetectable		 1f9gA-2rjoA:
19.21
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.
1F9G_A_ASCA950_0
(HYALURONATE LYASE)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		4 / 7 ARG A  71
ASN A 199
TYR A 260
ASN A 235
 None
GAL  A1130 (-3.5A)
GAL  A1130 (-4.5A)
GAL  A1130 (-4.6A)
 1.50A 1f9gA-4iugA:
undetectable		 1f9gA-4iugA:
22.71
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.
1I1E_A_DM2A3001_1
(BOTULINUM NEUROTOXIN
TYPE B)		 3rsj BONT/F
(Clostridium
botulinum) 		6 / 9 GLU A1195
GLY A1239
HIS A1241
SER A1248
TRP A1250
TYR A1251
 NGA  A   3 ( 3.1A)
None
GAL  A   4 ( 4.2A)
GAL  A   4 (-2.7A)
GAL  A   4 (-4.1A)
GAL  A   4 ( 4.4A)
 0.70A 1i1eA-3rsjA:
28.6		 1i1eA-3rsjA:
15.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I1E_A_DM2A3001_1
(BOTULINUM NEUROTOXIN
TYPE B)		 5n0c TETANUS TOXIN
(Clostridium
tetani) 		5 / 9 GLY A1269
HIS A1271
SER A1287
TRP A1289
TYR A1290
 None
GAL  A1404 ( 4.2A)
NGA  A1403 ( 3.7A)
GAL  A1404 ( 3.9A)
GAL  A1404 (-4.4A)
 0.73A 1i1eA-5n0cA:
52.6		 1i1eA-5n0cA:
41.73
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.
1I1E_A_DM2A3001_1
(BOTULINUM NEUROTOXIN
TYPE B)		 5tpc BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		5 / 9 GLU A1203
GLY A1251
HIS A1253
SER A1264
TYR A1267
 NGA  A1303 (-3.1A)
None
GAL  A1304 (-3.7A)
GAL  A1304 (-2.7A)
GAL  A1304 ( 4.2A)
 0.59A 1i1eA-5tpcA:
29.7		 1i1eA-5tpcA:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I1E_A_DM2A3001_1
(BOTULINUM NEUROTOXIN
TYPE B)		 5tpc BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		5 / 9 GLU A1203
GLY A1251
SER A1264
TRP A1266
TYR A1267
 NGA  A1303 (-3.1A)
None
GAL  A1304 (-2.7A)
GAL  A1304 ( 4.1A)
GAL  A1304 ( 4.2A)
 0.66A 1i1eA-5tpcA:
29.7		 1i1eA-5tpcA:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I7Z_C_COCC302_2
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION
CHIMERA OF IG
GAMMA-1 CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		4 / 4 GLU A 279
TYR A 247
PRO A 246
ASP A 248
 None
GAL  A 401 ( 3.8A)
None
None
 1.44A 1i7zD-4wwhA:
undetectable		 1i7zD-4wwhA:
22.88
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.
1I9G_A_SAMA301_1
(HYPOTHETICAL PROTEIN
RV2118C)		 4atf BETA-AGARASE B
(Zobellia
galactanivorans) 		3 / 3 GLU A 184
HIS A 215
ASP A 173
 GAL  A1357 (-4.1A)
GAL  A1357 (-3.3A)
GAL  A1357 (-2.8A)
 0.74A 1i9gA-4atfA:
undetectable		 1i9gA-4atfA:
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.
1JHO_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 1qot CHITIN BINDING
LECTIN, UEA-II
(Ulex
europaeus) 		5 / 9 THR A 129
GLY A  84
GLY A 217
GLU A 225
GLY A 219
 None
None
None
None
GAL  A 502 (-3.6A)
 1.26A 1jhoA-1qotA:
undetectable		 1jhoA-1qotA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JHR_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 1qot CHITIN BINDING
LECTIN, UEA-II
(Ulex
europaeus) 		5 / 9 THR A 129
GLY A  84
GLY A 217
GLU A 225
GLY A 219
 None
None
None
None
GAL  A 502 (-3.6A)
 1.25A 1jhrA-1qotA:
undetectable		 1jhrA-1qotA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		 5bxp LACTO-N-BIOSIDASE
(Bifidobacterium
bifidum) 		4 / 7 SER A 421
PRO A 466
SER A 468
ALA A 424
 LOG  A 702 ( 4.5A)
GAL  A 701 (-3.7A)
None
SO4  A 705 (-3.5A)
 0.99A 1k5qA-5bxpA:
undetectable
1k5qB-5bxpA:
undetectable		 1k5qA-5bxpA:
14.93
1k5qB-5bxpA:
20.73
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.
1KIA_B_SAMB1293_1
(GLYCINE
N-METHYLTRANSFERASE)		 3dh4 SODIUM/GLUCOSE
COTRANSPORTER
(Vibrio
parahaemolyticus) 		4 / 5 ASP A 189
SER A  59
ASN A  64
SER A 368
 None
None
GAL  A 701 (-3.9A)
None
 1.40A 1kiaB-3dh4A:
undetectable		 1kiaB-3dh4A:
20.38
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.
1KIA_C_SAMC2293_1
(GLYCINE
N-METHYLTRANSFERASE)		 3dh4 SODIUM/GLUCOSE
COTRANSPORTER
(Vibrio
parahaemolyticus) 		4 / 6 ASP A 189
SER A  59
ASN A  64
SER A 368
 None
None
GAL  A 701 (-3.9A)
None
 1.40A 1kiaC-3dh4A:
undetectable		 1kiaC-3dh4A:
20.38
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.
1KIJ_A_NOVA400_2
(DNA GYRASE SUBUNIT B)		 1rdk MANNOSE-BINDING
PROTEIN-C
(Rattus
rattus) 		3 / 3 ASN 1 210
PHE 1 161
VAL 1 212
 GAL  1   1 (-2.9A)
None
GAL  1   1 ( 4.9A)
 0.83A 1kijA-1rdk1:
undetectable		 1kijA-1rdk1:
12.82
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.
1KVL_A_CLSA371_1
(BETA-LACTAMASE)		 5dvj BINDING PROTEIN
COMPONENT OF ABC
SUGAR TRANSPORTER
(Pseudomonas
putida) 		5 / 10 GLY A  68
LEU A 385
GLN A 388
ASN A 380
GLY A  67
 GAL  A 501 (-3.5A)
None
None
None
GAL  A 501 (-3.3A)
 1.43A 1kvlA-5dvjA:
undetectable		 1kvlA-5dvjA:
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.
1L5K_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 1qot CHITIN BINDING
LECTIN, UEA-II
(Ulex
europaeus) 		5 / 9 THR A 129
GLY A  84
GLY A 217
GLU A 225
GLY A 219
 None
None
None
None
GAL  A 502 (-3.6A)
 1.26A 1l5kA-1qotA:
undetectable		 1l5kA-1qotA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L5L_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 1qot CHITIN BINDING
LECTIN, UEA-II
(Ulex
europaeus) 		5 / 9 THR A 129
GLY A  84
GLY A 217
GLU A 225
GLY A 219
 None
None
None
None
GAL  A 502 (-3.6A)
 1.25A 1l5lA-1qotA:
undetectable		 1l5lA-1qotA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L5M_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 1qot CHITIN BINDING
LECTIN, UEA-II
(Ulex
europaeus) 		5 / 9 THR A 129
GLY A  84
GLY A 217
GLU A 225
GLY A 219
 None
None
None
None
GAL  A 502 (-3.6A)
 1.26A 1l5mA-1qotA:
undetectable		 1l5mA-1qotA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L7G_A_BCZA801_0
(NEURAMINIDASE)		 5k6o B-GLUCOSIDASE
(metagenome) 		5 / 12 LEU A 582
ASP A 532
ARG A 538
GLU A 600
ARG A 597
 None
GAL  A1000 (-3.1A)
GAL  A1000 (-4.4A)
None
GAL  A1000 (-3.1A)
 1.44A 1l7gA-5k6oA:
undetectable		 1l7gA-5k6oA:
18.70
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.
1LQT_A_ACTA1869_0
(FPRA)		 5ta9 GLYCOSIDE HYDROLASE
(Bacteroides
uniformis) 		4 / 4 ASP A 320
HIS A 302
ARG A 273
GLU A 262
 None
GAL  A 501 (-3.9A)
GAL  A 501 (-2.8A)
GAL  A 501 (-2.7A)
 1.36A 1lqtA-5ta9A:
undetectable		 1lqtA-5ta9A:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXG_A_ACRA444_1
(ALPHA AMYLASE)		 5ihr PROBABLE
BETA-GALACTOSIDASE A
(Aspergillus
niger) 		4 / 7 TYR A 260
ASN A 140
TYR A 355
GLY A 145
 GAL  A4001 ( 4.6A)
GAL  A4001 (-3.8A)
None
None
 1.26A 1mxgA-5ihrA:
10.1		 1mxgA-5ihrA:
17.34
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.
1NG8_A_DVAA8_0
(GRAMICIDIN A)		 2xom ARABINOGALACTAN
ENDO-1,4-BETA-GALACT
OSIDASE
(Thermotoga
maritima) 		4 / 4 GLY A 155
VAL A 100
TRP A  68
GLY A 152
 None
None
GAL  A1166 ( 4.3A)
None
 1.42A 1ng8A-2xomA:
undetectable		 1ng8A-2xomA:
9.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NG8_B_DVAB8_0
(GRAMICIDIN A)		 2xom ARABINOGALACTAN
ENDO-1,4-BETA-GALACT
OSIDASE
(Thermotoga
maritima) 		4 / 4 GLY A 155
VAL A 100
TRP A  68
GLY A 152
 None
None
GAL  A1166 ( 4.3A)
None
 1.42A 1ng8B-2xomA:
undetectable		 1ng8B-2xomA:
9.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q0Y_H_MOIH401_1
(FAB 9B1, HEAVY CHAIN
FAB 9B1, LIGHT CHAIN)		 5bxp LACTO-N-BIOSIDASE
(Bifidobacterium
bifidum) 		4 / 7 GLU A 257
GLU A 216
TRP A 373
TRP A 465
 None
GAL  A 701 (-2.8A)
LOG  A 702 ( 3.9A)
LOG  A 702 (-3.8A)
 1.35A 1q0yH-5bxpA:
undetectable
1q0yL-5bxpA:
undetectable		 1q0yH-5bxpA:
15.99
1q0yL-5bxpA:
16.45
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.
1SV9_A_DIFA701_1
(PHOSPHOLIPASE A2)		 2wnb -
(Sus
scrofa) 		5 / 8 LEU A 263
ILE A 278
GLY A 273
HIS A 319
PHE A 212
 None
None
C5P  A1344 (-3.2A)
GAL  A1347 (-3.9A)
GAL  A1347 (-3.9A)
 1.46A 1sv9A-2wnbA:
undetectable		 1sv9A-2wnbA:
14.77
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.
1TDN_A_LEUA487_0
(L-AMINO ACID OXIDASE)		 2w7y PROBABLE SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN
(Streptococcus
pneumoniae) 		4 / 7 ARG A 207
ASN A 106
PHE A 155
TRP A 280
 A2G  A1428 (-3.3A)
A2G  A1428 (-3.8A)
GAL  A1429 ( 4.5A)
GAL  A1429 ( 3.6A)
 1.09A 1tdnA-2w7yA:
undetectable		 1tdnA-2w7yA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_C_CHDC3525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 5ldr BETA-D-GALACTOSIDASE
(Paracoccus
sp.
32d) 		4 / 7 HIS B 509
TRP B 489
THR B 496
TYR B 135
 None
GAL  B 801 (-3.8A)
None
None
 1.49A 1v54A-5ldrB:
undetectable
1v54C-5ldrB:
undetectable		 1v54A-5ldrB:
20.51
1v54C-5ldrB:
13.25
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.
1V54_P_CHDP4525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 5ldr BETA-D-GALACTOSIDASE
(Paracoccus
sp.
32d) 		4 / 7 HIS B 509
TRP B 489
THR B 496
TYR B 135
 None
GAL  B 801 (-3.8A)
None
None
 1.47A 1v54N-5ldrB:
undetectable
1v54P-5ldrB:
undetectable		 1v54N-5ldrB:
20.51
1v54P-5ldrB:
13.25
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.
1VM1_A_TAZA504_1
(BETA-LACTAMASE SHV-1)		 1dbn PROTEIN
(LEUKOAGGLUTININ)
(Maackia
amurensis) 		3 / 3 ASP A 137
TYR A 136
GLU A 224
 GAL  A 823 ( 3.1A)
GAL  A 823 ( 4.0A)
BGC  A 824 (-2.8A)
 0.82A 1vm1A-1dbnA:
0.0		 1vm1A-1dbnA:
19.06
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.
1XF1_B_ACTB1108_0
(C5A PEPTIDASE)		 3ujq LEGUME LECTIN
(Lablab
purpureus) 		4 / 6 LEU A 128
GLY A 126
ASN A 152
ILE A 169
 None
GAL  A 301 ( 3.4A)
CA  A 303 (-3.6A)
None
 0.90A 1xf1B-3ujqA:
undetectable		 1xf1B-3ujqA:
16.09
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.
1Z9H_A_IMNA379_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		 3dh4 SODIUM/GLUCOSE
COTRANSPORTER
(Vibrio
parahaemolyticus) 		5 / 12 VAL A 251
SER A  86
TYR A  87
ILE A  84
LEU A 256
 None
None
GAL  A 701 (-4.8A)
None
None
 1.25A 1z9hA-3dh4A:
3.0		 1z9hA-3dh4A:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z9H_B_IMNB381_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		 3dh4 SODIUM/GLUCOSE
COTRANSPORTER
(Vibrio
parahaemolyticus) 		5 / 12 VAL A 251
SER A  86
TYR A  87
ILE A  84
LEU A 256
 None
None
GAL  A 701 (-4.8A)
None
None
 1.25A 1z9hB-3dh4A:
3.3		 1z9hB-3dh4A:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z9H_C_IMNC379_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		 3dh4 SODIUM/GLUCOSE
COTRANSPORTER
(Vibrio
parahaemolyticus) 		5 / 12 VAL A 251
SER A  86
TYR A  87
ILE A  84
LEU A 256
 None
None
GAL  A 701 (-4.8A)
None
None
 1.26A 1z9hC-3dh4A:
3.3		 1z9hC-3dh4A:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2B17_A_DIFA701_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 2wnb -
(Sus
scrofa) 		5 / 10 LEU A 263
ILE A 278
GLY A 273
HIS A 319
PHE A 212
 None
None
C5P  A1344 (-3.2A)
GAL  A1347 (-3.9A)
GAL  A1347 (-3.9A)
 1.46A 2b17A-2wnbA:
undetectable		 2b17A-2wnbA:
14.77
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.
2BNN_B_FCNB1199_1
(EPOXIDASE)		 1z45 GAL10 BIFUNCTIONAL
PROTEIN
(Saccharomyces
cerevisiae) 		4 / 8 ASN A 457
GLU A 665
HIS A 458
ALA A 663
 GAL  A 700 (-3.6A)
GAL  A 700 (-2.7A)
GAL  A 700 (-4.1A)
None
 0.83A 2bnnA-1z45A:
undetectable
2bnnB-1z45A:
undetectable		 2bnnA-1z45A:
15.33
2bnnB-1z45A:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXM_A_IMNA2001_1
(SERUM ALBUMIN)		 2j7m HYALURONIDASE
(Clostridium
perfringens) 		4 / 8 SER A 635
ALA A 645
ALA A 760
ARG A 690
 None
None
None
GAL  A1770 ( 2.8A)
 0.90A 2bxmA-2j7mA:
undetectable		 2bxmA-2j7mA:
13.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COI_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		5 / 10 TYR A 260
TYR A 362
TYR A  96
GLY A 146
ALA A 141
 GAL  A1130 (-4.5A)
None
GAL  A1130 (-4.7A)
None
GAL  A1130 (-4.5A)
 1.34A 2coiA-4iugA:
undetectable
2coiB-4iugA:
undetectable		 2coiA-4iugA:
17.51
2coiB-4iugA:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5ldr BETA-D-GALACTOSIDASE
(Paracoccus
sp.
32d) 		4 / 7 HIS B 509
TRP B 489
THR B 496
TYR B 135
 None
GAL  B 801 (-3.8A)
None
None
 1.47A 2dyrN-5ldrB:
undetectable
2dyrP-5ldrB:
undetectable		 2dyrN-5ldrB:
20.51
2dyrP-5ldrB:
13.25
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.
2EIJ_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5ldr BETA-D-GALACTOSIDASE
(Paracoccus
sp.
32d) 		4 / 7 HIS B 509
TRP B 489
THR B 496
TYR B 135
 None
GAL  B 801 (-3.8A)
None
None
 1.48A 2eijN-5ldrB:
undetectable
2eijP-5ldrB:
undetectable		 2eijN-5ldrB:
20.51
2eijP-5ldrB:
13.25
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.
2EIK_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5ldr BETA-D-GALACTOSIDASE
(Paracoccus
sp.
32d) 		4 / 7 HIS B 509
TRP B 489
THR B 496
TYR B 135
 None
GAL  B 801 (-3.8A)
None
None
 1.48A 2eikN-5ldrB:
undetectable
2eikP-5ldrB:
undetectable		 2eikN-5ldrB:
20.51
2eikP-5ldrB:
13.25
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.
2EIL_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5ldr BETA-D-GALACTOSIDASE
(Paracoccus
sp.
32d) 		4 / 7 HIS B 509
TRP B 489
THR B 496
TYR B 135
 None
GAL  B 801 (-3.8A)
None
None
 1.47A 2eilN-5ldrB:
undetectable
2eilP-5ldrB:
undetectable		 2eilN-5ldrB:
20.51
2eilP-5ldrB:
13.25
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.
2JST_A_HLTA101_1
(FOUR-ALPHA-HELIX
BUNDLE)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		4 / 5 ALA A 181
TRP A 218
LEU A 216
ALA A 173
 None
GAL  A 401 (-3.6A)
None
None
 1.22A 2jstA-4wwhA:
undetectable
2jstB-4wwhA:
undetectable		 2jstA-4wwhA:
11.71
2jstB-4wwhA:
11.71
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.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 5ldr BETA-D-GALACTOSIDASE
(Paracoccus
sp.
32d) 		5 / 12 SER B 301
GLU B 446
GLY B 449
VAL B 511
ALA B 521
 None
GAL  B 801 (-2.3A)
None
None
None
 1.34A 2kceA-5ldrB:
undetectable		 2kceA-5ldrB:
15.80
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.
2NYU_B_SAMB201_1
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		4 / 5 PRO A  46
ALA A 101
ASP A  78
ASP A 178
 None
None
None
GAL  A 401 (-2.8A)
 1.21A 2nyuB-4wwhA:
4.4		 2nyuB-4wwhA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OA1_A_TRPA2002_0
(TRYPTOPHAN
HALOGENASE)		 5ta9 GLYCOSIDE HYDROLASE
(Bacteroides
uniformis) 		5 / 12 ILE A 275
HIS A 302
GLU A 262
TYR A 376
PHE A 125
 None
GAL  A 501 (-3.9A)
GAL  A 501 (-2.7A)
None
GAL  A 501 (-4.7A)
 1.46A 2oa1A-5ta9A:
undetectable		 2oa1A-5ta9A:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OTH_A_IMNA301_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 1qot CHITIN BINDING
LECTIN, UEA-II
(Ulex
europaeus) 		3 / 3 ASP A 128
TYR A 130
LYS A 133
 CA  A 302 ( 2.3A)
GAL  A 502 (-3.6A)
None
 1.18A 2othA-1qotA:
undetectable		 2othA-1qotA:
18.78
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.
2OXT_A_SAMA300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 2z8e GALACTO-N-BIOSE/LACT
O-N-BIOSE I
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN
(Bifidobacterium
longum) 		5 / 12 GLY A 210
GLY A 315
GLY A 156
GLY A 311
LEU A 349
 None
GAL  A   1 (-3.2A)
None
None
None
 0.94A 2oxtA-2z8eA:
undetectable		 2oxtA-2z8eA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q6O_B_SAMB500_0
(HYPOTHETICAL PROTEIN)		 1igy IGG1 INTACT ANTIBODY
MAB61.1.3
(Mus
musculus) 		4 / 6 ASP B 262
VAL B 268
PRO B 260
THR B 401
 GAL  B 481 ( 4.6A)
None
None
None
 1.44A 2q6oB-1igyB:
undetectable		 2q6oB-1igyB:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		 1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.) 		5 / 12 GLU A 807
TYR A 343
ILE A 139
VAL A 143
TYR A  96
 None
GAL  A9011 (-4.2A)
None
None
GAL  A9011 (-4.7A)
 1.42A 2qeoA-1xc6A:
undetectable		 2qeoA-1xc6A:
8.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		 3ogr BETA-GALACTOSIDASE
(Trichoderma
reesei) 		5 / 12 GLU A 809
TYR A 342
ILE A 139
VAL A 143
TYR A  96
 GAL  A1024 ( 4.8A)
GAL  A1024 (-4.4A)
None
None
GAL  A1024 (-4.6A)
 1.40A 2qeoA-3ogrA:
undetectable		 2qeoA-3ogrA:
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		5 / 12 GLU A 804
TYR A 342
ILE A 139
VAL A 143
TYR A  96
 CD  A1108 (-2.3A)
GAL  A1130 (-4.2A)
None
None
GAL  A1130 (-4.7A)
 1.43A 2qeoA-4iugA:
undetectable		 2qeoA-4iugA:
8.72
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.
2QMQ_A_BEZA3_0
(PROTEIN NDRG2)		 3thc BETA-GALACTOSIDASE
(Homo
sapiens) 		4 / 7 TYR A 306
TYR A  83
GLN A  81
HIS A  56
 GAL  A 900 (-4.6A)
CL  A 801 (-4.2A)
CL  A 801 ( 4.6A)
CL  A 801 (-4.4A)
 1.42A 2qmqA-3thcA:
undetectable		 2qmqA-3thcA:
17.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XZ5_B_ACHB1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3thc BETA-GALACTOSIDASE
(Homo
sapiens) 		4 / 8 TYR A 306
TYR A 331
SER A 330
ILE A 309
 GAL  A 900 (-4.6A)
None
None
None
 1.08A 2xz5B-3thcA:
undetectable
2xz5E-3thcA:
undetectable		 2xz5B-3thcA:
15.70
2xz5E-3thcA:
15.70
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.
2Y69_A_CHDA1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5ldr BETA-D-GALACTOSIDASE
(Paracoccus
sp.
32d) 		4 / 7 HIS B 509
TRP B 489
THR B 496
TYR B 135
 None
GAL  B 801 (-3.8A)
None
None
 1.47A 2y69A-5ldrB:
undetectable
2y69C-5ldrB:
undetectable		 2y69A-5ldrB:
20.51
2y69C-5ldrB:
13.25
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.
3AG2_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5ldr BETA-D-GALACTOSIDASE
(Paracoccus
sp.
32d) 		4 / 7 HIS B 509
TRP B 489
THR B 496
TYR B 135
 None
GAL  B 801 (-3.8A)
None
None
 1.49A 3ag2N-5ldrB:
undetectable
3ag2P-5ldrB:
undetectable		 3ag2N-5ldrB:
20.51
3ag2P-5ldrB:
13.25
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.
3AG4_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5ldr BETA-D-GALACTOSIDASE
(Paracoccus
sp.
32d) 		4 / 7 HIS B 509
TRP B 489
THR B 496
TYR B 135
 None
GAL  B 801 (-3.8A)
None
None
 1.48A 3ag4N-5ldrB:
undetectable
3ag4P-5ldrB:
undetectable		 3ag4N-5ldrB:
20.51
3ag4P-5ldrB:
13.25
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.
3ARR_A_PNXA606_1
(CHITINASE A)		 5k6o B-GLUCOSIDASE
(metagenome) 		4 / 7 TRP A 710
GLY A 627
ASP A 532
ARG A 538
 GAL  A1000 ( 3.8A)
None
GAL  A1000 (-3.1A)
GAL  A1000 (-4.4A)
 1.12A 3arrA-5k6oA:
undetectable		 3arrA-5k6oA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CCF_A_BEZA261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)		 5bxp LACTO-N-BIOSIDASE
(Bifidobacterium
bifidum) 		4 / 8 HIS A 316
GLY A 318
ASN A 259
TRP A 465
 None
None
GAL  A 701 (-4.0A)
LOG  A 702 (-3.8A)
 1.23A 3ccfA-5bxpA:
undetectable		 3ccfA-5bxpA:
19.47
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.
3DH0_A_SAMA220_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 1sbd SOYBEAN AGGLUTININ
(Glycine
max) 		5 / 12 GLY A  89
ALA A  87
PHE A 128
THR A 127
LEU A 156
 None
GAL  A 847 ( 4.4A)
GAL  A 847 (-4.0A)
None
None
 0.98A 3dh0A-1sbdA:
undetectable		 3dh0A-1sbdA:
19.32
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.
3E23_A_SAMA221_0
(UNCHARACTERIZED
PROTEIN RPA2492)		 1led WEST-CENTRAL AFRICAN
LEGUME LECTIN IV
(Griffonia
simplicifolia) 		5 / 12 PHE A  78
LEU A  80
GLY A 222
GLY A  90
LEU A  91
 None
None
GAL  A 253 (-3.5A)
None
None
 1.09A 3e23A-1ledA:
undetectable		 3e23A-1ledA:
21.20
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.
3FRQ_A_ERYA195_1
(REPRESSOR PROTEIN
MPHR(A))		 3wuc GALECTIN
(Xenopus
laevis) 		4 / 5 ASN A 125
ARG A  32
ASN A  31
ALA A  27
 MLA  A 203 (-3.9A)
GAL  A 202 (-2.8A)
None
None
 1.28A 3frqA-3wucA:
undetectable		 3frqA-3wucA:
19.46
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.
3FRQ_B_ERYB195_1
(REPRESSOR PROTEIN
MPHR(A))		 3wuc GALECTIN
(Xenopus
laevis) 		4 / 7 ASN A 125
ARG A  32
ASN A  31
ALA A  27
 MLA  A 203 (-3.9A)
GAL  A 202 (-2.8A)
None
None
 1.30A 3frqB-3wucA:
undetectable		 3frqB-3wucA:
19.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_A_1GNA998_1
(GALECTIN-7)		 1gan GALECTIN-1
(Rhinella
arenarum) 		6 / 6 HIS A  45
ASN A  47
ARG A  49
ASN A  62
TRP A  69
GLU A  72
 GAL  A 136 (-4.0A)
GAL  A 136 (-3.8A)
NDG  A 135 ( 2.8A)
GAL  A 136 (-3.7A)
GAL  A 136 (-3.7A)
NDG  A 135 ( 2.6A)
 0.20A 3galA-1ganA:
19.8		 3galA-1ganA:
33.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_A_1GNA998_1
(GALECTIN-7)		 1hlc HUMAN LECTIN
(Homo
sapiens) 		6 / 6 HIS A  45
ASN A  47
ARG A  49
ASN A  58
TRP A  65
GLU A  68
 GAL  A 998 (-3.8A)
GAL  A 998 (-4.1A)
BGC  A 999 ( 2.7A)
GAL  A 998 (-3.6A)
GAL  A 998 (-3.7A)
BGC  A 999 ( 2.8A)
 0.44A 3galA-1hlcA:
20.0		 3galA-1hlcA:
28.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_A_1GNA998_1
(GALECTIN-7)		 1slc BOVINE GALECTIN-1
(Bos
taurus) 		6 / 6 HIS A  44
ASN A  46
ARG A  48
ASN A  61
TRP A  68
GLU A  71
 GAL  A 352 ( 3.8A)
GAL  A 352 ( 4.2A)
NAG  A 351 ( 3.1A)
GAL  A 352 ( 3.8A)
GAL  A 352 (-4.3A)
NAG  A 351 ( 2.8A)
 0.43A 3galA-1slcA:
19.9		 3galA-1slcA:
33.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_A_1GNA998_1
(GALECTIN-7)		 1ule GALECTIN-2
(Coprinopsis
cinerea) 		5 / 6 HIS A  51
ARG A  55
ASN A  64
TRP A  72
GLU A  75
 GAL  A 152 (-3.8A)
NAG  A 153 ( 2.8A)
GAL  A 152 (-3.9A)
GAL  A 152 (-3.8A)
NAG  A 153 ( 2.8A)
 0.30A 3galA-1uleA:
16.9		 3galA-1uleA:
24.18
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.
3GAL_A_1GNA998_1
(GALECTIN-7)		 1ww6 GALECTIN
(Agrocybe
cylindracea) 		5 / 6 HIS A  62
ARG A  66
ASN A  75
TRP A  83
GLU A  86
 GAL  A 200 (-4.1A)
BGC  A 201 ( 3.0A)
GAL  A 200 (-3.7A)
GAL  A 200 (-3.6A)
BGC  A 201 ( 3.1A)
 0.58A 3galA-1ww6A:
16.0		 3galA-1ww6A:
23.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_A_1GNA998_1
(GALECTIN-7)		 2zhl GALECTIN-9
(Homo
sapiens) 		4 / 6 HIS A  61
ASN A  63
ARG A  44
TRP A  82
 GAL  A1493 ( 3.9A)
GAL  A1493 (-3.6A)
NAG  A1491 (-4.6A)
GAL  A1493 (-3.7A)
 1.10A 3galA-2zhlA:
23.0		 3galA-2zhlA:
38.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_A_1GNA998_1
(GALECTIN-7)		 2zhl GALECTIN-9
(Homo
sapiens) 		6 / 6 HIS A  61
ASN A  63
ARG A  65
ASN A  75
TRP A  82
GLU A  85
 GAL  A1493 ( 3.9A)
GAL  A1493 (-3.6A)
NAG  A1494 ( 2.8A)
GAL  A1493 (-3.9A)
GAL  A1493 (-3.7A)
NAG  A1494 ( 2.7A)
 0.32A 3galA-2zhlA:
23.0		 3galA-2zhlA:
38.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_A_1GNA998_1
(GALECTIN-7)		 3ajy ANCESTRAL CONGERIN
CON-ANC
(-) 		5 / 6 HIS A  44
ARG A  48
ASN A  61
TRP A  68
GLU A  71
 GAL  A 136 (-3.9A)
BGC  A 135 ( 2.9A)
GAL  A 136 (-3.7A)
GAL  A 136 (-3.5A)
BGC  A 135 ( 2.6A)
 0.36A 3galA-3ajyA:
17.4		 3galA-3ajyA:
27.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_A_1GNA998_1
(GALECTIN-7)		 3ajz ANCESTRAL CONGERIN
CON-ANC
(-) 		5 / 6 HIS A  42
ARG A  46
ASN A  59
TRP A  66
GLU A  69
 GAL  A 133 (-4.0A)
BGC  A 134 ( 2.8A)
GAL  A 133 (-3.8A)
GAL  A 133 (-3.7A)
BGC  A 134 ( 2.8A)
 0.19A 3galA-3ajzA:
19.7		 3galA-3ajzA:
29.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_A_1GNA998_1
(GALECTIN-7)		 3ayd GALECTIN-3
(Homo
sapiens) 		6 / 6 HIS A 158
ASN A 160
ARG A 162
ASN A 174
TRP A 181
GLU A 184
 GAL  A 253 (-3.7A)
GAL  A 253 (-4.1A)
A2G  A 252 ( 3.1A)
GAL  A 253 (-3.9A)
GAL  A 253 (-3.5A)
A2G  A 252 (-3.0A)
 0.22A 3galA-3aydA:
22.4		 3galA-3aydA:
35.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_A_1GNA998_1
(GALECTIN-7)		 3nv3 GALECTIN 9 SHORT
ISOFORM VARIANT
(Homo
sapiens) 		6 / 6 HIS A 235
ASN A 237
ARG A 239
ASN A 248
TRP A 255
GLU A 258
 GAL  A 501 (-3.9A)
GAL  A 501 (-3.8A)
NAG  A 502 ( 2.7A)
GAL  A 501 (-3.8A)
GAL  A 501 (-3.6A)
NAG  A 502 ( 2.7A)
 0.20A 3galA-3nv3A:
22.9		 3galA-3nv3A:
38.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_A_1GNA998_1
(GALECTIN-7)		 3vv1 PROTEIN LEC-6
(Caenorhabditis
elegans) 		6 / 6 HIS A  60
ASN A  62
ARG A  64
ASN A  73
TRP A  80
GLU A  83
 GAL  A 201 (-3.8A)
GAL  A 201 (-3.9A)
FUC  A 202 (-2.7A)
GAL  A 201 (-3.8A)
GAL  A 201 ( 3.8A)
FUC  A 202 (-2.7A)
 0.17A 3galA-3vv1A:
21.1		 3galA-3vv1A:
30.91
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.
3GAL_A_1GNA998_1
(GALECTIN-7)		 3wuc GALECTIN
(Xenopus
laevis) 		4 / 6 HIS A  47
ASN A  49
ARG A  32
TRP A  71
 GAL  A 202 ( 3.9A)
GAL  A 202 (-4.0A)
GAL  A 202 (-2.8A)
GAL  A 202 ( 3.7A)
 1.18A 3galA-3wucA:
18.7		 3galA-3wucA:
25.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_A_1GNA998_1
(GALECTIN-7)		 3wuc GALECTIN
(Xenopus
laevis) 		6 / 6 HIS A  47
ASN A  49
ARG A  51
ASN A  64
TRP A  71
GLU A  74
 GAL  A 202 ( 3.9A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
GAL  A 202 (-3.9A)
GAL  A 202 ( 3.7A)
GLC  A 201 (-2.8A)
 0.25A 3galA-3wucA:
18.7		 3galA-3wucA:
25.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_A_1GNA998_1
(GALECTIN-7)		 3wud GALECTIN
(Xenopus
laevis) 		6 / 6 HIS A  45
ASN A  47
ARG A  49
ASN A  62
TRP A  69
GLU A  72
 GAL  A 202 (-3.8A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
GAL  A 202 (-3.9A)
GAL  A 202 (-3.9A)
GLC  A 201 (-2.7A)
 0.17A 3galA-3wudA:
19.6		 3galA-3wudA:
30.77
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.
3GAL_A_1GNA998_1
(GALECTIN-7)		 3wv6 GALECTIN-9
(Homo
sapiens) 		4 / 6 HIS A  61
ASN A  63
ARG A  44
TRP A  82
 GAL  A 402 (-3.9A)
GAL  A 402 (-3.9A)
GAL  A 402 ( 4.9A)
GAL  A 402 (-3.7A)
 1.09A 3galA-3wv6A:
22.8		 3galA-3wv6A:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_A_1GNA998_1
(GALECTIN-7)		 3wv6 GALECTIN-9
(Homo
sapiens) 		6 / 6 HIS A  61
ASN A  63
ARG A  65
ASN A  75
TRP A  82
GLU A  85
 GAL  A 402 (-3.9A)
GAL  A 402 (-3.9A)
BGC  A 403 (-2.7A)
GAL  A 402 (-4.0A)
GAL  A 402 (-3.7A)
BGC  A 403 (-2.9A)
 0.20A 3galA-3wv6A:
22.8		 3galA-3wv6A:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_A_1GNA998_1
(GALECTIN-7)		 3wv6 GALECTIN-9
(Homo
sapiens) 		6 / 6 HIS A 235
ASN A 237
ARG A 239
ASN A 248
TRP A 255
GLU A 258
 GAL  A 404 (-4.0A)
GAL  A 404 (-4.1A)
GLC  A 405 (-2.7A)
GAL  A 404 (-3.7A)
GAL  A 404 ( 3.7A)
GLC  A 405 ( 2.8A)
 0.20A 3galA-3wv6A:
22.8		 3galA-3wv6A:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_A_1GNA998_1
(GALECTIN-7)		 4fqz GALECTIN-8
(Homo
sapiens) 		4 / 6 HIS A  65
ASN A  67
ARG A  45
TRP A  86
 GAL  A 401 (-4.0A)
GAL  A 401 (-4.2A)
GAL  A 401 (-2.8A)
GAL  A 401 (-3.5A)
 1.16A 3galA-4fqzA:
22.6		 3galA-4fqzA:
20.83
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.
3GAL_A_1GNA998_1
(GALECTIN-7)		 4fqz GALECTIN-8
(Homo
sapiens) 		6 / 6 HIS A  65
ASN A  67
ARG A  69
ASN A  79
TRP A  86
GLU A  89
 GAL  A 401 (-4.0A)
GAL  A 401 (-4.2A)
BGC  A 402 ( 2.5A)
GAL  A 401 (-3.8A)
GAL  A 401 (-3.5A)
BGC  A 402 ( 3.3A)
 0.41A 3galA-4fqzA:
22.6		 3galA-4fqzA:
20.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_A_1GNA998_1
(GALECTIN-7)		 4y1y GALECTIN-1
(Homo
sapiens) 		6 / 6 HIS A  44
ASN A  46
ARG A  48
ASN A  61
TRP A  68
GLU A  71
 GAL  A 201 (-3.9A)
GAL  A 201 (-4.4A)
6S2  A 202 (-2.8A)
GAL  A 201 (-3.8A)
GAL  A 201 ( 4.1A)
6S2  A 202 (-2.6A)
 0.49A 3galA-4y1yA:
20.0		 3galA-4y1yA:
33.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_A_1GNA998_1
(GALECTIN-7)		 4y26 GALECTIN-7
(Homo
sapiens) 		6 / 6 HIS A  49
ASN A  51
ARG A  53
ASN A  62
TRP A  69
GLU A  72
 GAL  A 201 (-3.9A)
GAL  A 201 (-4.1A)
6S2  A 202 (-2.9A)
GAL  A 201 (-3.7A)
GAL  A 201 (-3.5A)
6S2  A 202 (-2.8A)
 0.21A 3galA-4y26A:
27.2		 3galA-4y26A:
88.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_B_1GNB999_1
(GALECTIN-7)		 1gan GALECTIN-1
(Rhinella
arenarum) 		6 / 6 HIS A  45
ASN A  47
ARG A  49
ASN A  62
TRP A  69
GLU A  72
 GAL  A 136 (-4.0A)
GAL  A 136 (-3.8A)
NDG  A 135 ( 2.8A)
GAL  A 136 (-3.7A)
GAL  A 136 (-3.7A)
NDG  A 135 ( 2.6A)
 0.20A 3galB-1ganA:
19.5		 3galB-1ganA:
33.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_B_1GNB999_1
(GALECTIN-7)		 1hlc HUMAN LECTIN
(Homo
sapiens) 		6 / 6 HIS A  45
ASN A  47
ARG A  49
ASN A  58
TRP A  65
GLU A  68
 GAL  A 998 (-3.8A)
GAL  A 998 (-4.1A)
BGC  A 999 ( 2.7A)
GAL  A 998 (-3.6A)
GAL  A 998 (-3.7A)
BGC  A 999 ( 2.8A)
 0.39A 3galB-1hlcA:
19.4		 3galB-1hlcA:
28.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_B_1GNB999_1
(GALECTIN-7)		 1slc BOVINE GALECTIN-1
(Bos
taurus) 		6 / 6 HIS A  44
ASN A  46
ARG A  48
ASN A  61
TRP A  68
GLU A  71
 GAL  A 352 ( 3.8A)
GAL  A 352 ( 4.2A)
NAG  A 351 ( 3.1A)
GAL  A 352 ( 3.8A)
GAL  A 352 (-4.3A)
NAG  A 351 ( 2.8A)
 0.53A 3galB-1slcA:
19.5		 3galB-1slcA:
33.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_B_1GNB999_1
(GALECTIN-7)		 1ule GALECTIN-2
(Coprinopsis
cinerea) 		5 / 6 HIS A  51
ARG A  55
ASN A  64
TRP A  72
GLU A  75
 GAL  A 152 (-3.8A)
NAG  A 153 ( 2.8A)
GAL  A 152 (-3.9A)
GAL  A 152 (-3.8A)
NAG  A 153 ( 2.8A)
 0.39A 3galB-1uleA:
16.4		 3galB-1uleA:
24.18
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.
3GAL_B_1GNB999_1
(GALECTIN-7)		 1ww6 GALECTIN
(Agrocybe
cylindracea) 		5 / 6 HIS A  62
ARG A  66
ASN A  75
TRP A  83
GLU A  86
 GAL  A 200 (-4.1A)
BGC  A 201 ( 3.0A)
GAL  A 200 (-3.7A)
GAL  A 200 (-3.6A)
BGC  A 201 ( 3.1A)
 0.70A 3galB-1ww6A:
15.5		 3galB-1ww6A:
23.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_B_1GNB999_1
(GALECTIN-7)		 2zhl GALECTIN-9
(Homo
sapiens) 		6 / 6 HIS A  61
ASN A  63
ARG A  65
ASN A  75
TRP A  82
GLU A  85
 GAL  A1493 ( 3.9A)
GAL  A1493 (-3.6A)
NAG  A1494 ( 2.8A)
GAL  A1493 (-3.9A)
GAL  A1493 (-3.7A)
NAG  A1494 ( 2.7A)
 0.34A 3galB-2zhlA:
23.0		 3galB-2zhlA:
38.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_B_1GNB999_1
(GALECTIN-7)		 3ajy ANCESTRAL CONGERIN
CON-ANC
(-) 		5 / 6 HIS A  44
ARG A  48
ASN A  61
TRP A  68
GLU A  71
 GAL  A 136 (-3.9A)
BGC  A 135 ( 2.9A)
GAL  A 136 (-3.7A)
GAL  A 136 (-3.5A)
BGC  A 135 ( 2.6A)
 0.44A 3galB-3ajyA:
17.1		 3galB-3ajyA:
27.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_B_1GNB999_1
(GALECTIN-7)		 3ajz ANCESTRAL CONGERIN
CON-ANC
(-) 		5 / 6 HIS A  42
ARG A  46
ASN A  59
TRP A  66
GLU A  69
 GAL  A 133 (-4.0A)
BGC  A 134 ( 2.8A)
GAL  A 133 (-3.8A)
GAL  A 133 (-3.7A)
BGC  A 134 ( 2.8A)
 0.24A 3galB-3ajzA:
19.2		 3galB-3ajzA:
29.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_B_1GNB999_1
(GALECTIN-7)		 3ayd GALECTIN-3
(Homo
sapiens) 		6 / 6 HIS A 158
ASN A 160
ARG A 162
ASN A 174
TRP A 181
GLU A 184
 GAL  A 253 (-3.7A)
GAL  A 253 (-4.1A)
A2G  A 252 ( 3.1A)
GAL  A 253 (-3.9A)
GAL  A 253 (-3.5A)
A2G  A 252 (-3.0A)
 0.34A 3galB-3aydA:
22.7		 3galB-3aydA:
35.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_B_1GNB999_1
(GALECTIN-7)		 3nv3 GALECTIN 9 SHORT
ISOFORM VARIANT
(Homo
sapiens) 		6 / 6 HIS A 235
ASN A 237
ARG A 239
ASN A 248
TRP A 255
GLU A 258
 GAL  A 501 (-3.9A)
GAL  A 501 (-3.8A)
NAG  A 502 ( 2.7A)
GAL  A 501 (-3.8A)
GAL  A 501 (-3.6A)
NAG  A 502 ( 2.7A)
 0.29A 3galB-3nv3A:
22.9		 3galB-3nv3A:
38.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_B_1GNB999_1
(GALECTIN-7)		 3vv1 PROTEIN LEC-6
(Caenorhabditis
elegans) 		6 / 6 HIS A  60
ASN A  62
ARG A  64
ASN A  73
TRP A  80
GLU A  83
 GAL  A 201 (-3.8A)
GAL  A 201 (-3.9A)
FUC  A 202 (-2.7A)
GAL  A 201 (-3.8A)
GAL  A 201 ( 3.8A)
FUC  A 202 (-2.7A)
 0.30A 3galB-3vv1A:
21.0		 3galB-3vv1A:
30.91
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.
3GAL_B_1GNB999_1
(GALECTIN-7)		 3wuc GALECTIN
(Xenopus
laevis) 		4 / 6 HIS A  47
ASN A  49
ARG A  32
TRP A  71
 GAL  A 202 ( 3.9A)
GAL  A 202 (-4.0A)
GAL  A 202 (-2.8A)
GAL  A 202 ( 3.7A)
 1.16A 3galB-3wucA:
18.3		 3galB-3wucA:
25.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_B_1GNB999_1
(GALECTIN-7)		 3wuc GALECTIN
(Xenopus
laevis) 		6 / 6 HIS A  47
ASN A  49
ARG A  51
ASN A  64
TRP A  71
GLU A  74
 GAL  A 202 ( 3.9A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
GAL  A 202 (-3.9A)
GAL  A 202 ( 3.7A)
GLC  A 201 (-2.8A)
 0.25A 3galB-3wucA:
18.3		 3galB-3wucA:
25.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_B_1GNB999_1
(GALECTIN-7)		 3wud GALECTIN
(Xenopus
laevis) 		6 / 6 HIS A  45
ASN A  47
ARG A  49
ASN A  62
TRP A  69
GLU A  72
 GAL  A 202 (-3.8A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
GAL  A 202 (-3.9A)
GAL  A 202 (-3.9A)
GLC  A 201 (-2.7A)
 0.26A 3galB-3wudA:
19.2		 3galB-3wudA:
30.77
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.
3GAL_B_1GNB999_1
(GALECTIN-7)		 3wv6 GALECTIN-9
(Homo
sapiens) 		6 / 6 HIS A  61
ASN A  63
ARG A  65
ASN A  75
TRP A  82
GLU A  85
 GAL  A 402 (-3.9A)
GAL  A 402 (-3.9A)
BGC  A 403 (-2.7A)
GAL  A 402 (-4.0A)
GAL  A 402 (-3.7A)
BGC  A 403 (-2.9A)
 0.38A 3galB-3wv6A:
22.7		 3galB-3wv6A:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_B_1GNB999_1
(GALECTIN-7)		 3wv6 GALECTIN-9
(Homo
sapiens) 		6 / 6 HIS A 235
ASN A 237
ARG A 239
ASN A 248
TRP A 255
GLU A 258
 GAL  A 404 (-4.0A)
GAL  A 404 (-4.1A)
GLC  A 405 (-2.7A)
GAL  A 404 (-3.7A)
GAL  A 404 ( 3.7A)
GLC  A 405 ( 2.8A)
 0.36A 3galB-3wv6A:
22.7		 3galB-3wv6A:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_B_1GNB999_1
(GALECTIN-7)		 4fqz GALECTIN-8
(Homo
sapiens) 		4 / 6 HIS A  65
ASN A  67
ARG A  45
TRP A  86
 GAL  A 401 (-4.0A)
GAL  A 401 (-4.2A)
GAL  A 401 (-2.8A)
GAL  A 401 (-3.5A)
 1.12A 3galB-4fqzA:
22.3		 3galB-4fqzA:
20.83
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.
3GAL_B_1GNB999_1
(GALECTIN-7)		 4fqz GALECTIN-8
(Homo
sapiens) 		6 / 6 HIS A  65
ASN A  67
ARG A  69
ASN A  79
TRP A  86
GLU A  89
 GAL  A 401 (-4.0A)
GAL  A 401 (-4.2A)
BGC  A 402 ( 2.5A)
GAL  A 401 (-3.8A)
GAL  A 401 (-3.5A)
BGC  A 402 ( 3.3A)
 0.39A 3galB-4fqzA:
22.3		 3galB-4fqzA:
20.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_B_1GNB999_1
(GALECTIN-7)		 4y1y GALECTIN-1
(Homo
sapiens) 		6 / 6 HIS A  44
ASN A  46
ARG A  48
ASN A  61
TRP A  68
GLU A  71
 GAL  A 201 (-3.9A)
GAL  A 201 (-4.4A)
6S2  A 202 (-2.8A)
GAL  A 201 (-3.8A)
GAL  A 201 ( 4.1A)
6S2  A 202 (-2.6A)
 0.41A 3galB-4y1yA:
19.6		 3galB-4y1yA:
33.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_B_1GNB999_1
(GALECTIN-7)		 4y26 GALECTIN-7
(Homo
sapiens) 		6 / 6 HIS A  49
ASN A  51
ARG A  53
ASN A  62
TRP A  69
GLU A  72
 GAL  A 201 (-3.9A)
GAL  A 201 (-4.1A)
6S2  A 202 (-2.9A)
GAL  A 201 (-3.7A)
GAL  A 201 (-3.5A)
6S2  A 202 (-2.8A)
 0.29A 3galB-4y26A:
27.5		 3galB-4y26A:
88.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_B_1GNB999_1
(GALECTIN-7)		 5k6o B-GLUCOSIDASE
(metagenome) 		4 / 6 HIS A 631
ASN A 635
ARG A 641
GLU A 143
 GAL  A1000 (-4.3A)
None
GAL  A1000 (-3.4A)
GAL  A1000 (-3.4A)
 1.49A 3galB-5k6oA:
undetectable		 3galB-5k6oA:
9.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HRD_E_NIOE5660_1
(NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT)		 3ob8 BETA-GALACTOSIDASE
(Kluyveromyces
lactis) 		3 / 3 GLU A 482
GLU A 414
TRP A 582
 MG  A3001 ( 3.1A)
MG  A3001 (-2.8A)
GAL  A2001 (-4.0A)
 1.15A 3hrdA-3ob8A:
undetectable
3hrdE-3ob8A:
undetectable
3hrdF-3ob8A:
undetectable		 3hrdA-3ob8A:
18.41
3hrdE-3ob8A:
18.41
3hrdF-3ob8A:
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.
3K39_C_BCZC1001_0
(NEURAMINIDASE)		 5k6o B-GLUCOSIDASE
(metagenome) 		5 / 12 LEU A 582
ASP A 532
ARG A 538
GLU A 600
ARG A 597
 None
GAL  A1000 (-3.1A)
GAL  A1000 (-4.4A)
None
GAL  A1000 (-3.1A)
 1.50A 3k39C-5k6oA:
undetectable		 3k39C-5k6oA:
17.09
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.
3K39_J_BCZJ1001_0
(NEURAMINIDASE)		 5k6o B-GLUCOSIDASE
(metagenome) 		5 / 12 LEU A 582
ASP A 532
ARG A 538
GLU A 600
ARG A 597
 None
GAL  A1000 (-3.1A)
GAL  A1000 (-4.4A)
None
GAL  A1000 (-3.1A)
 1.48A 3k39J-5k6oA:
undetectable		 3k39J-5k6oA:
17.09
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.
3K39_K_BCZK1001_0
(NEURAMINIDASE)		 5k6o B-GLUCOSIDASE
(metagenome) 		5 / 12 LEU A 582
ASP A 532
ARG A 538
GLU A 600
ARG A 597
 None
GAL  A1000 (-3.1A)
GAL  A1000 (-4.4A)
None
GAL  A1000 (-3.1A)
 1.50A 3k39K-5k6oA:
undetectable		 3k39K-5k6oA:
17.09
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.
3K39_L_BCZL1001_0
(NEURAMINIDASE)		 5k6o B-GLUCOSIDASE
(metagenome) 		5 / 12 LEU A 582
ASP A 532
ARG A 538
GLU A 600
ARG A 597
 None
GAL  A1000 (-3.1A)
GAL  A1000 (-4.4A)
None
GAL  A1000 (-3.1A)
 1.50A 3k39L-5k6oA:
undetectable		 3k39L-5k6oA:
17.09
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.
3KO0_H_TFPH202_1
(PROTEIN S100-A4)		 5dvj BINDING PROTEIN
COMPONENT OF ABC
SUGAR TRANSPORTER
(Pseudomonas
putida) 		5 / 12 ASP A 303
ILE A 128
PHE A 298
ASP A 269
SER A 360
 GAL  A 501 (-2.8A)
None
None
None
None
 0.96A 3ko0G-5dvjA:
undetectable
3ko0H-5dvjA:
undetectable
3ko0I-5dvjA:
undetectable
3ko0J-5dvjA:
undetectable		 3ko0G-5dvjA:
11.48
3ko0H-5dvjA:
11.48
3ko0I-5dvjA:
11.48
3ko0J-5dvjA:
11.48
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.
3KPD_B_SAMB1000_1
(UNCHARACTERIZED
PROTEIN MJ0100)		 3ogr BETA-GALACTOSIDASE
(Trichoderma
reesei) 		3 / 3 ASN A 234
ASN A 199
GLU A 298
 None
GAL  A1024 (-3.1A)
GAL  A1024 (-2.7A)
 0.89A 3kpdC-3ogrA:
undetectable		 3kpdC-3ogrA:
8.21
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.
3LMY_A_CP6A562_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		 5bxp LACTO-N-BIOSIDASE
(Bifidobacterium
bifidum) 		5 / 12 HIS A 263
ASP A 320
TRP A 394
TYR A 419
TRP A 465
 GAL  A 701 (-3.5A)
GAL  A 701 (-3.0A)
LOG  A 702 (-3.5A)
LOG  A 702 (-4.4A)
LOG  A 702 (-3.8A)
 0.49A 3lmyA-5bxpA:
31.4		 3lmyA-5bxpA:
23.80
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.
3LMY_B_CP6B563_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		 5bxp LACTO-N-BIOSIDASE
(Bifidobacterium
bifidum) 		7 / 12 HIS A 263
ASP A 320
GLU A 321
TRP A 373
TRP A 394
TYR A 419
TRP A 465
 GAL  A 701 (-3.5A)
GAL  A 701 (-3.0A)
LOG  A 702 (-3.1A)
LOG  A 702 ( 3.9A)
LOG  A 702 (-3.5A)
LOG  A 702 (-4.4A)
LOG  A 702 (-3.8A)
 0.57A 3lmyB-5bxpA:
31.3		 3lmyB-5bxpA:
23.80
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.
3MBH_F_PXLF400_1
(PUTATIVE
PHOSPHOMETHYLPYRIMID
INE KINASE)		 4fqz GALECTIN-8
(Homo
sapiens) 		5 / 11 VAL A  62
HIS A  65
GLN A  47
VAL A  20
TYR A 141
 None
GAL  A 401 (-4.0A)
GAL  A 401 ( 4.5A)
None
None
 1.44A 3mbhF-4fqzA:
undetectable		 3mbhF-4fqzA:
20.91
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.
3MG0_K_BO2K1402_1
(PROTEASOME COMPONENT
PRE2
PROTEASOME COMPONENT
C5)		 1ww6 GALECTIN
(Agrocybe
cylindracea) 		5 / 11 ALA A  49
THR A  48
ALA A  64
ALA A  15
GLY A  14
 None
None
GAL  A 200 ( 4.3A)
None
None
 0.87A 3mg0K-1ww6A:
undetectable
3mg0L-1ww6A:
undetectable		 3mg0K-1ww6A:
20.18
3mg0L-1ww6A:
22.75
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		 4k5u VARIABLE LYMPHOCYTE
RECEPTOR
(Petromyzon
marinus) 		5 / 11 LEU B  93
LEU B  69
LEU B 109
ASN B  86
LEU B  83
 None
None
None
GAL  B 301 (-3.9A)
None
 1.34A 3ndvA-4k5uB:
undetectable
3ndvB-4k5uB:
undetectable		 3ndvA-4k5uB:
22.07
3ndvB-4k5uB:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU9_A_478A401_1
(PROTEASE)		 4asl EPA1P
([Candida]
glabrata) 		4 / 8 ALA A 163
ASP A 165
ILE A 109
VAL A 169
 None
GAL  A 302 ( 2.5A)
None
None
 0.71A 3nu9A-4aslA:
undetectable		 3nu9A-4aslA:
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.
3NU9_A_478A401_1
(PROTEASE)		 4coy EPITHELIAL ADHESIN 6
([Candida]
glabrata) 		4 / 8 ALA A 163
ASP A 165
ILE A 109
VAL A 169
 None
GAL  A1271 ( 2.4A)
None
None
 0.73A 3nu9A-4coyA:
undetectable		 3nu9A-4coyA:
18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU7_B_SAMB300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 1jzn GALACTOSE-SPECIFIC
LECTIN
(Crotalus
atrox) 		3 / 3 TYR A 100
ASP A 120
ASP A  93
 GAL  A 137 ( 4.1A)
CA  A1138 ( 3.0A)
None
 0.87A 3ou7B-1jznA:
undetectable		 3ou7B-1jznA:
19.64
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.
3P2K_A_SAMA6735_1
(16S RRNA METHYLASE)		 3wkh CELLOBIOSE
2-EPIMERASE
(Rhodothermus
marinus) 		3 / 3 ASP A 383
GLU A 365
SER A 185
 None
None
GAL  A 503 (-3.2A)
 0.58A 3p2kA-3wkhA:
undetectable		 3p2kA-3wkhA:
19.38
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.
3P2K_C_SAMC6735_1
(16S RRNA METHYLASE)		 5bxp LACTO-N-BIOSIDASE
(Bifidobacterium
bifidum) 		4 / 5 ASN A 286
ASP A 320
GLU A 392
THR A 185
 SO4  A 704 (-3.4A)
GAL  A 701 (-3.0A)
None
None
 1.17A 3p2kC-5bxpA:
undetectable		 3p2kC-5bxpA:
16.64
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.
3P2K_C_SAMC6735_1
(16S RRNA METHYLASE)		 5ihr PROBABLE
BETA-GALACTOSIDASE A
(Aspergillus
niger) 		4 / 5 ASN A 242
ASP A 258
GLU A 142
SER A 240
 None
None
GAL  A4001 (-2.7A)
None
 1.44A 3p2kC-5ihrA:
undetectable		 3p2kC-5ihrA:
12.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P2K_D_SAMD6735_1
(16S RRNA METHYLASE)		 5bxp LACTO-N-BIOSIDASE
(Bifidobacterium
bifidum) 		4 / 4 ASN A 286
ASP A 320
GLU A 392
THR A 185
 SO4  A 704 (-3.4A)
GAL  A 701 (-3.0A)
None
None
 1.16A 3p2kD-5bxpA:
0.0		 3p2kD-5bxpA:
16.64
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.
3PO7_A_ZONA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 3dh4 SODIUM/GLUCOSE
COTRANSPORTER
(Vibrio
parahaemolyticus) 		4 / 8 TYR A 269
LEU A 137
TYR A 262
TYR A 263
 None
None
None
GAL  A 701 ( 4.1A)
 1.34A 3po7A-3dh4A:
undetectable		 3po7A-3dh4A:
21.04
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.
3R24_A_SAMA302_0
(2'-O-METHYL
TRANSFERASE)		 1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.) 		5 / 12 GLY A 358
SER A 144
GLY A 753
ASN A 350
PHE A 305
 None
None
None
None
GAL  A9011 (-4.9A)
 1.41A 3r24A-1xc6A:
undetectable		 3r24A-1xc6A:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R24_A_SAMA302_0
(2'-O-METHYL
TRANSFERASE)		 3ogr BETA-GALACTOSIDASE
(Trichoderma
reesei) 		5 / 12 GLY A 357
SER A 144
GLY A 755
ASN A 349
PHE A 304
 None
None
None
None
GAL  A1024 ( 4.8A)
 1.39A 3r24A-3ogrA:
undetectable		 3r24A-3ogrA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S8P_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 4ayj BOGT -
METAL-INDEPENDENT
GLYCOSYLTRANSFERASE
(Bacteroides
ovatus) 		3 / 3 HIS A 122
SER A 159
ASN A 196
 GAL  A1233 (-3.5A)
None
None
 0.88A 3s8pB-4ayjA:
undetectable		 3s8pB-4ayjA:
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.
3W9T_C_W9TC1005_1
(HEMOLYTIC LECTIN
CEL-III)		 5mua RICIN B-RELATED
LECTIN
(Polyporus
squamosus) 		3 / 3 ASP A  72
GLY A  75
TYR A  87
 GAL  A 301 (-2.7A)
GAL  A 301 (-3.4A)
GAL  A 301 (-3.5A)
 0.46A 3w9tC-5muaA:
8.3		 3w9tC-5muaA:
20.37
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.
3W9T_G_W9TG503_1
(HEMOLYTIC LECTIN
CEL-III)		 5mua RICIN B-RELATED
LECTIN
(Polyporus
squamosus) 		3 / 3 ASP A  72
GLY A  75
TYR A  87
 GAL  A 301 (-2.7A)
GAL  A 301 (-3.4A)
GAL  A 301 (-3.5A)
 0.45A 3w9tG-5muaA:
17.4		 3w9tG-5muaA:
20.37
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.
3WDM_C_ADNC301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 4y1y GALECTIN-1
(Homo
sapiens) 		5 / 9 ALA A 121
LEU A  17
LEU A  34
ASN A  46
ILE A  89
 None
CSO  A  16 ( 4.5A)
None
GAL  A 201 (-4.4A)
CSO  A  88 ( 3.8A)
 1.14A 3wdmC-4y1yA:
undetectable		 3wdmC-4y1yA:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZOD_A_HQEA1173_1
(FMN-BINDING PROTEIN)		 5ta9 GLYCOSIDE HYDROLASE
(Bacteroides
uniformis) 		4 / 7 HIS A 302
ASP A  90
HIS A 244
HIS A 371
 GAL  A 501 (-3.9A)
AAL  A 502 ( 3.7A)
AAL  A 502 (-3.3A)
None
 1.24A 3zodA-5ta9A:
undetectable		 3zodA-5ta9A:
19.44
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.
4A7T_F_5FWF1001_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		 4rgt PUTATIVE
UNCHARACTERIZED
PROTEIN
(Staphylococcus
aureus) 		4 / 6 GLU A 229
LYS A 186
LYS A 188
GLU A 202
 None
None
None
GAL  A 402 (-3.6A)
 1.27A 4a7tF-4rgtA:
undetectable		 4a7tF-4rgtA:
19.47
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.
4BBO_B_ACTB1114_0
(BLR5658 PROTEIN)		 4atf BETA-AGARASE B
(Zobellia
galactanivorans) 		3 / 3 TRP A 109
TRP A 117
THR A 115
 GAL  A1355 (-3.6A)
None
None
 1.31A 4bboB-4atfA:
undetectable		 4bboB-4atfA:
15.91
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.
4BZF_B_ACTB502_0
(ALDOSE 1-EPIMERASE)		 1z45 GAL10 BIFUNCTIONAL
PROTEIN
(Saccharomyces
cerevisiae) 		4 / 4 HIS A 458
HIS A 537
ASP A 599
TYR A 647
 GAL  A 700 (-4.1A)
GAL  A 700 (-4.1A)
GAL  A 700 (-2.8A)
GAL  A 700 (-4.1A)
 0.41A 4bzfB-1z45A:
32.9		 4bzfB-1z45A:
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.
4DJE_B_C2FB302_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 3ujq LEGUME LECTIN
(Lablab
purpureus) 		5 / 12 ASP A 148
ASP A 156
ASN A 152
GLY A 125
ARG A  70
 CA  A 303 ( 3.0A)
MN  A 304 ( 2.6A)
CA  A 303 (-3.6A)
GAL  A 301 (-3.6A)
None
 1.36A 4djeB-3ujqA:
undetectable		 4djeB-3ujqA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DR2_A_PARA1609_1
(16S RRNA
30S RIBOSOMAL
PROTEIN S9
30S RIBOSOMAL
PROTEIN S10)		 2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN
(Paraburkholderia
phytofirmans) 		3 / 3 TYR A  55
ARG A  48
SER A  49
 SO4  A 370 ( 4.2A)
GAL  A 368 ( 3.0A)
SO4  A 370 (-3.1A)
 1.11A 4dr2I-2rjoA:
1.3
4dr2J-2rjoA:
undetectable		 4dr2I-2rjoA:
18.35
4dr2J-2rjoA:
15.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DUB_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT 9D7)		 4z0n PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR
(Streptobacillus
moniliformis) 		4 / 6 PHE A  40
ALA A 282
GLY A 134
VAL A 317
 GAL  A 405 (-3.7A)
SO4  A 404 ( 4.7A)
None
None
 0.72A 4dubA-4z0nA:
undetectable		 4dubA-4z0nA:
21.49
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.
4E7C_D_ACTD504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 5dvj BINDING PROTEIN
COMPONENT OF ABC
SUGAR TRANSPORTER
(Pseudomonas
putida) 		3 / 3 GLY A  39
SER A  38
TRP A 250
 None
None
GAL  A 501 (-4.0A)
 0.92A 4e7cD-5dvjA:
undetectable		 4e7cD-5dvjA:
24.47
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.
4FEW_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3ob8 BETA-GALACTOSIDASE
(Kluyveromyces
lactis) 		4 / 8 ASP A 187
ASP A 623
CYH A1001
GLU A 583
 NA  A3006 ( 3.1A)
NA  A3006 ( 3.0A)
GAL  A2001 ( 4.4A)
None
 1.22A 4fewD-3ob8A:
undetectable		 4fewD-3ob8A:
13.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3ob8 BETA-GALACTOSIDASE
(Kluyveromyces
lactis) 		4 / 8 ASP A 187
ASP A 623
CYH A1001
GLU A 583
 NA  A3006 ( 3.1A)
NA  A3006 ( 3.0A)
GAL  A2001 ( 4.4A)
None
 1.21A 4fewF-3ob8A:
undetectable		 4fewF-3ob8A:
13.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 5dvj BINDING PROTEIN
COMPONENT OF ABC
SUGAR TRANSPORTER
(Pseudomonas
putida) 		5 / 10 GLY A  67
GLY A  66
ASN A 301
GLN A 388
PHE A 392
 GAL  A 501 (-3.3A)
None
GAL  A 501 (-3.2A)
None
None
 0.96A 4fgkA-5dvjA:
undetectable
4fgkB-5dvjA:
undetectable		 4fgkA-5dvjA:
19.48
4fgkB-5dvjA:
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.
4FUB_A_ACTA311_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 3ob8 BETA-GALACTOSIDASE
(Kluyveromyces
lactis) 		3 / 3 TYR A 507
ARG A 386
HIS A 389
 None
None
GAL  A2001 (-3.8A)
 1.02A 4fubA-3ob8A:
undetectable		 4fubA-3ob8A:
13.14
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.
4FVQ_A_ACTA904_0
(TYROSINE-PROTEIN
KINASE JAK2)		 3dh4 SODIUM/GLUCOSE
COTRANSPORTER
(Vibrio
parahaemolyticus) 		3 / 3 PHE A  70
VAL A 301
GLU A  88
 None
None
GAL  A 701 (-3.1A)
 0.80A 4fvqA-3dh4A:
undetectable		 4fvqA-3dh4A:
20.75
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.
4GC9_A_SAMA401_1
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		 5mua RICIN B-RELATED
LECTIN
(Polyporus
squamosus) 		3 / 3 GLU A 112
ASP A  93
ASP A  72
 None
None
GAL  A 301 (-2.7A)
 0.79A 4gc9A-5muaA:
undetectable		 4gc9A-5muaA:
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.
4KCN_B_MTLB806_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4cp2 EPITHELIAL ADHESIN 9
([Candida]
glabrata) 		4 / 7 SER A 171
PHE A 147
ASN A 172
ASP A 258
 None
None
None
GAL  A1296 ( 3.5A)
 1.32A 4kcnB-4cp2A:
undetectable		 4kcnB-4cp2A:
19.15
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.
4LTW_A_486A303_1
(ANCESTRAL STEROID
RECEPTOR 2)		 1z45 GAL10 BIFUNCTIONAL
PROTEIN
(Saccharomyces
cerevisiae) 		5 / 9 THR A 553
LEU A 591
GLN A 645
PHE A 646
THR A 648
 None
None
GAL  A 700 (-4.0A)
None
None
 1.21A 4ltwA-1z45A:
undetectable		 4ltwA-1z45A:
16.79
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.
4MV7_A_PPFA501_1
(BIOTIN CARBOXYLASE)		 3wv6 GALECTIN-9
(Homo
sapiens) 		4 / 7 ARG A  44
VAL A  73
GLU A  85
ARG A  87
 GAL  A 402 ( 4.9A)
None
BGC  A 403 (-2.9A)
BGC  A 403 (-4.1A)
 1.32A 4mv7A-3wv6A:
undetectable		 4mv7A-3wv6A:
20.71
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.
4MWV_A_BCZA513_0
(NEURAMINIDASE)		 5k6o B-GLUCOSIDASE
(metagenome) 		5 / 12 LEU A 582
ASP A 532
ARG A 538
GLU A 600
ARG A 597
 None
GAL  A1000 (-3.1A)
GAL  A1000 (-4.4A)
None
GAL  A1000 (-3.1A)
 1.45A 4mwvA-5k6oA:
undetectable		 4mwvA-5k6oA:
18.34
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.
4MWX_A_ZMRA513_2
(NEURAMINIDASE)		 1ule GALECTIN-2
(Coprinopsis
cinerea) 		3 / 3 ARG A  66
TRP A  72
ILE A  48
 None
GAL  A 152 (-3.8A)
None
 1.01A 4mwxA-1uleA:
undetectable		 4mwxA-1uleA:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N49_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 5bxp LACTO-N-BIOSIDASE
(Bifidobacterium
bifidum) 		4 / 4 ASN A 259
GLY A 318
ASP A 350
ASP A 375
 GAL  A 701 (-4.0A)
None
None
None
 1.33A 4n49A-5bxpA:
undetectable		 4n49A-5bxpA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJK_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 3ogr BETA-GALACTOSIDASE
(Trichoderma
reesei) 		5 / 12 THR A 813
GLU A 200
ASN A 199
VAL A 219
ASP A 162
 None
GAL  A1024 (-2.5A)
GAL  A1024 (-3.1A)
None
None
 1.50A 4njkA-3ogrA:
3.0		 4njkA-3ogrA:
13.55
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.
4NJK_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 3ogr BETA-GALACTOSIDASE
(Trichoderma
reesei) 		5 / 12 THR A 813
GLU A 200
ASN A 199
VAL A 219
ASP A 162
 None
GAL  A1024 (-2.5A)
GAL  A1024 (-3.1A)
None
None
 1.47A 4njkB-3ogrA:
2.5		 4njkB-3ogrA:
13.55
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.
4O8F_A_BRLA501_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4k5u VARIABLE LYMPHOCYTE
RECEPTOR
(Petromyzon
marinus) 		4 / 5 GLY B 108
LEU B  97
LEU B  80
LEU B 149
 GAL  B 301 ( 4.1A)
None
None
None
 0.81A 4o8fA-4k5uB:
undetectable		 4o8fA-4k5uB:
24.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OBW_D_SAMD601_1
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 1sbd SOYBEAN AGGLUTININ
(Glycine
max) 		3 / 3 ASN A 130
ASP A  88
ASP A 215
 CA  A 601 ( 2.9A)
GAL  A 847 (-2.8A)
GAL  A 847 ( 2.9A)
 0.82A 4obwD-1sbdA:
undetectable		 4obwD-1sbdA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OBW_D_SAMD601_1
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN
(Paraburkholderia
phytofirmans) 		3 / 3 ASN A 131
ASP A 105
ASP A 266
 GAL  A 368 (-3.7A)
GAL  A 368 (-2.9A)
GAL  A 368 (-2.9A)
 0.74A 4obwD-2rjoA:
undetectable		 4obwD-2rjoA:
20.18
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.
4OBW_D_SAMD601_1
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 4z0n PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR
(Streptobacillus
moniliformis) 		3 / 3 ASN A 116
ASP A  38
ASP A 237
 GAL  A 405 (-2.7A)
GAL  A 405 (-2.0A)
None
 0.74A 4obwD-4z0nA:
undetectable		 4obwD-4z0nA:
24.72
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.
4OLM_A_198A1001_2
(ANDROGEN RECEPTOR)		 1z45 GAL10 BIFUNCTIONAL
PROTEIN
(Saccharomyces
cerevisiae) 		4 / 6 ASN A 457
ILE A 570
ILE A 670
VAL A 565
 GAL  A 700 (-3.6A)
None
None
None
 1.02A 4olmA-1z45A:
undetectable		 4olmA-1z45A:
18.48
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.
4P7N_A_GCSA702_1
(POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE)		 5ldr BETA-D-GALACTOSIDASE
(Paracoccus
sp.
32d) 		3 / 3 ASP B 134
TYR B 494
TRP B 327
 GAL  B 801 (-3.3A)
None
GAL  B 801 (-4.4A)
 1.40A 4p7nA-5ldrB:
9.2		 4p7nA-5ldrB:
19.32
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.
4QB9_D_PARD500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 1tlg POLYANDROCARPA
LECTIN
(Polyandrocarpa
misakiensis) 		4 / 8 PHE A  67
SER A  88
ASP A  52
TYR A 103
 None
GAL  A 126 ( 3.1A)
None
None
 1.10A 4qb9D-1tlgA:
undetectable		 4qb9D-1tlgA:
15.98
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.
4QWU_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN
(Paraburkholderia
phytofirmans) 		5 / 9 ALA A 238
THR A 263
ALA A 244
GLY A 157
ASP A 266
 None
None
None
None
GAL  A 368 (-2.9A)
 1.11A 4qwuK-2rjoA:
undetectable
4qwuL-2rjoA:
undetectable		 4qwuK-2rjoA:
20.37
4qwuL-2rjoA:
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.
4QWU_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN
(Paraburkholderia
phytofirmans) 		5 / 9 ALA A 238
THR A 263
ALA A 244
GLY A 157
ASP A 266
 None
None
None
None
GAL  A 368 (-2.9A)
 1.09A 4qwuY-2rjoA:
undetectable
4qwuZ-2rjoA:
undetectable		 4qwuY-2rjoA:
20.37
4qwuZ-2rjoA:
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.
4RTM_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 1led WEST-CENTRAL AFRICAN
LEGUME LECTIN IV
(Griffonia
simplicifolia) 		5 / 12 GLY A 107
GLY A 106
GLY A  90
ILE A 146
TYR A 143
 GAL  A 253 ( 3.4A)
FUC  A 254 ( 3.8A)
None
None
None
 0.96A 4rtmA-1ledA:
undetectable		 4rtmA-1ledA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RYA_A_MTLA501_1
(ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL))		 1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.) 		3 / 3 GLU A 299
TYR A 363
GLU A 142
 GAL  A9011 (-2.7A)
None
GAL  A9011 (-2.8A)
 0.81A 4ryaA-1xc6A:
undetectable		 4ryaA-1xc6A:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RYA_A_MTLA501_1
(ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL))		 3ogr BETA-GALACTOSIDASE
(Trichoderma
reesei) 		3 / 3 GLU A 298
TYR A 362
GLU A 142
 GAL  A1024 (-2.7A)
None
GAL  A1024 (-2.8A)
 0.78A 4ryaA-3ogrA:
undetectable		 4ryaA-3ogrA:
18.30
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.
4RYA_A_MTLA501_1
(ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL))		 3thc BETA-GALACTOSIDASE
(Homo
sapiens) 		3 / 3 GLU A 268
TYR A 331
GLU A 129
 GAL  A 900 (-2.5A)
None
GAL  A 900 (-2.8A)
 0.77A 4ryaA-3thcA:
undetectable		 4ryaA-3thcA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X1K_D_LOCD502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 2zhl GALECTIN-9
(Homo
sapiens) 		4 / 4 ASN A  63
SER A 139
ALA A  46
VAL A  47
 GAL  A1493 (-3.6A)
None
NAG  A1491 ( 3.9A)
None
 1.03A 4x1kC-2zhlA:
undetectable		 4x1kC-2zhlA:
15.08
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.
4X1K_D_LOCD502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 3wv6 GALECTIN-9
(Homo
sapiens) 		4 / 4 ASN A  63
SER A 139
ALA A  46
VAL A  47
 GAL  A 402 (-3.9A)
None
None
None
 0.98A 4x1kC-3wv6A:
undetectable		 4x1kC-3wv6A:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y9T_A_PA1A401_1
(ABC TRANSPORTER,
SOLUTE BINDING
PROTEIN)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ASP A 277
ASP A 126
ARG A 127
ASP A 178
TRP A 218
 GAL  A 401 (-2.8A)
GAL  A 401 (-3.0A)
GAL  A 401 (-4.0A)
GAL  A 401 (-2.8A)
GAL  A 401 (-3.6A)
 1.08A 4y9tA-4wwhA:
34.0		 4y9tA-4wwhA:
27.72
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.
4YMG_B_SAMB1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLY A 174
TYR A 247
SER A 245
ASP A 178
ALA A 181
 None
GAL  A 401 ( 3.8A)
None
GAL  A 401 (-2.8A)
None
 1.16A 4ymgB-4wwhA:
undetectable		 4ymgB-4wwhA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YMG_B_SAMB1001_1
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 1ow0 IG ALPHA-1 CHAIN C
REGION
IMMUNOGLOBULIN ALPHA
FC RECEPTOR
(Homo
sapiens;
Homo
sapiens) 		3 / 3 SER C  91
GLU C  49
GLU A 389
 None
None
GAL  A 506 (-4.1A)
 0.85A 4ymgB-1ow0C:
undetectable		 4ymgB-1ow0C:
25.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZBQ_A_ACTA605_0
(SERUM ALBUMIN)		 3thc BETA-GALACTOSIDASE
(Homo
sapiens) 		4 / 6 TYR A  83
GLY A 123
GLU A 186
ASN A 187
 CL  A 801 (-4.2A)
None
None
GAL  A 900 (-3.2A)
 1.20A 4zbqA-3thcA:
undetectable		 4zbqA-3thcA:
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.
4ZBQ_A_ACTA605_0
(SERUM ALBUMIN)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		4 / 6 TYR A  96
GLY A 136
GLU A 198
ASN A 199
 GAL  A1130 (-4.7A)
None
None
GAL  A1130 (-3.5A)
 1.12A 4zbqA-4iugA:
undetectable		 4zbqA-4iugA:
20.12
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.
4ZJ8_A_SUVA2001_1
(HUMAN OX1R FUSION
PROTEIN TO P.ABYSII
GLYCOGEN SYNTHASE)		 1z45 GAL10 BIFUNCTIONAL
PROTEIN
(Saccharomyces
cerevisiae) 		5 / 12 VAL A 682
VAL A 565
GLN A 645
GLU A 665
ASN A 457
 None
None
GAL  A 700 (-4.0A)
GAL  A 700 (-2.7A)
GAL  A 700 (-3.6A)
 1.41A 4zj8A-1z45A:
6.0		 4zj8A-1z45A:
20.06
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.
4ZJ8_A_SUVA2001_2
(HUMAN OX1R FUSION
PROTEIN TO P.ABYSII
GLYCOGEN SYNTHASE)		 3ajz ANCESTRAL CONGERIN
CON-ANC
(-) 		4 / 6 TRP A  66
ILE A  39
ILE A  85
VAL A  17
 GAL  A 133 (-3.7A)
None
None
None
 0.93A 4zj8A-3ajzA:
undetectable		 4zj8A-3ajzA:
15.34
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.
5B1A_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5ldr BETA-D-GALACTOSIDASE
(Paracoccus
sp.
32d) 		4 / 7 HIS B 509
TRP B 489
THR B 496
TYR B 135
 None
GAL  B 801 (-3.8A)
None
None
 1.49A 5b1aN-5ldrB:
undetectable
5b1aP-5ldrB:
undetectable		 5b1aN-5ldrB:
20.51
5b1aP-5ldrB:
13.25
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.
5B2Q_A_ACTA1728_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9)		 3ajy ANCESTRAL CONGERIN
CON-ANC
(-) 		3 / 3 ASN A  33
SER A  31
ARG A  29
 None
None
GAL  A 136 (-2.9A)
 0.78A 5b2qA-3ajyA:
undetectable		 5b2qA-3ajyA:
5.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B2Q_A_ACTA1728_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9)		 3ajz ANCESTRAL CONGERIN
CON-ANC
(-) 		3 / 3 ASN A  31
SER A  29
ARG A  27
 None
None
GAL  A 133 (-2.9A)
 0.95A 5b2qA-3ajzA:
undetectable		 5b2qA-3ajzA:
6.77
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.
5C0O_G_SAMG301_1
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 4atf BETA-AGARASE B
(Zobellia
galactanivorans) 		3 / 3 GLU A 184
HIS A 215
ASP A 173
 GAL  A1357 (-4.1A)
GAL  A1357 (-3.3A)
GAL  A1357 (-2.8A)
 0.86A 5c0oG-4atfA:
undetectable		 5c0oG-4atfA:
19.88
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.
5CPR_B_SAMB402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 4ayj BOGT -
METAL-INDEPENDENT
GLYCOSYLTRANSFERASE
(Bacteroides
ovatus) 		3 / 3 HIS A 122
SER A 159
ASN A 196
 GAL  A1233 (-3.5A)
None
None
 0.86A 5cprB-4ayjA:
undetectable		 5cprB-4ayjA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E8Q_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 4kzk L-ARABINOSE ABC
TRANSPORTER,
PERIPLASMIC
L-ARABINOSE-BINDING
PROTEIN
(Burkholderia
thailandensis) 		3 / 3 ASP A  44
LEU A 333
ARG A 328
 GAL  A 600 (-3.2A)
None
None
 0.89A 5e8qA-4kzkA:
undetectable		 5e8qA-4kzkA:
20.00
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.
5EML_A_SAMA701_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		 4bq4 B-AGARASE
(Saccharophagus
degradans) 		4 / 6 TYR A 672
TYR A 130
GLY A 709
ASP A 746
 GAL  A1795 ( 4.2A)
None
None
GOL  A1798 (-3.8A)
 1.09A 5emlA-4bq4A:
2.7		 5emlA-4bq4A:
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.
5GSM_A_GCSA801_1
(EXO-BETA-D-GLUCOSAMI
NIDASE)		 1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.) 		5 / 12 TYR A  96
GLU A 142
GLU A 200
GLU A 299
TYR A 343
 GAL  A9011 (-4.7A)
GAL  A9011 (-2.8A)
GAL  A9011 (-2.5A)
GAL  A9011 (-2.7A)
GAL  A9011 (-4.2A)
 0.71A 5gsmA-1xc6A:
36.3		 5gsmA-1xc6A:
23.64
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.
5GSM_A_GCSA801_1
(EXO-BETA-D-GLUCOSAMI
NIDASE)		 3ogr BETA-GALACTOSIDASE
(Trichoderma
reesei) 		5 / 12 TYR A  96
GLU A 142
GLU A 200
GLU A 298
TYR A 342
 GAL  A1024 (-4.6A)
GAL  A1024 (-2.8A)
GAL  A1024 (-2.5A)
GAL  A1024 (-2.7A)
GAL  A1024 (-4.4A)
 0.84A 5gsmA-3ogrA:
14.4		 5gsmA-3ogrA:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GSM_A_GCSA801_1
(EXO-BETA-D-GLUCOSAMI
NIDASE)		 3thc BETA-GALACTOSIDASE
(Homo
sapiens) 		6 / 12 TYR A  83
CYH A 127
GLU A 129
GLU A 188
GLU A 268
TYR A 306
 CL  A 801 (-4.2A)
GAL  A 900 (-3.3A)
GAL  A 900 (-2.8A)
GAL  A 900 (-2.5A)
GAL  A 900 (-2.5A)
GAL  A 900 (-4.6A)
 0.71A 5gsmA-3thcA:
32.4		 5gsmA-3thcA:
27.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GSM_A_GCSA801_1
(EXO-BETA-D-GLUCOSAMI
NIDASE)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		5 / 12 TYR A  96
GLU A 142
GLU A 200
GLU A 298
TYR A 342
 GAL  A1130 (-4.7A)
GAL  A1130 ( 2.8A)
GAL  A1130 (-2.4A)
GAL  A1130 (-2.4A)
GAL  A1130 (-4.2A)
 0.68A 5gsmA-4iugA:
31.2		 5gsmA-4iugA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GSM_B_GCSB801_1
(EXO-BETA-D-GLUCOSAMI
NIDASE)		 1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.) 		5 / 12 TYR A  96
GLU A 142
GLU A 200
GLU A 299
TYR A 343
 GAL  A9011 (-4.7A)
GAL  A9011 (-2.8A)
GAL  A9011 (-2.5A)
GAL  A9011 (-2.7A)
GAL  A9011 (-4.2A)
 0.71A 5gsmB-1xc6A:
36.5		 5gsmB-1xc6A:
23.64
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.
5GSM_B_GCSB801_1
(EXO-BETA-D-GLUCOSAMI
NIDASE)		 3ogr BETA-GALACTOSIDASE
(Trichoderma
reesei) 		5 / 12 TYR A  96
GLU A 142
GLU A 200
GLU A 298
TYR A 342
 GAL  A1024 (-4.6A)
GAL  A1024 (-2.8A)
GAL  A1024 (-2.5A)
GAL  A1024 (-2.7A)
GAL  A1024 (-4.4A)
 0.84A 5gsmB-3ogrA:
14.8		 5gsmB-3ogrA:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GSM_B_GCSB801_1
(EXO-BETA-D-GLUCOSAMI
NIDASE)		 3thc BETA-GALACTOSIDASE
(Homo
sapiens) 		6 / 12 TYR A  83
CYH A 127
GLU A 129
GLU A 188
GLU A 268
TYR A 306
 CL  A 801 (-4.2A)
GAL  A 900 (-3.3A)
GAL  A 900 (-2.8A)
GAL  A 900 (-2.5A)
GAL  A 900 (-2.5A)
GAL  A 900 (-4.6A)
 0.71A 5gsmB-3thcA:
33.2		 5gsmB-3thcA:
27.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GSM_B_GCSB801_1
(EXO-BETA-D-GLUCOSAMI
NIDASE)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		5 / 12 TYR A  96
GLU A 142
GLU A 200
GLU A 298
TYR A 342
 GAL  A1130 (-4.7A)
GAL  A1130 ( 2.8A)
GAL  A1130 (-2.4A)
GAL  A1130 (-2.4A)
GAL  A1130 (-4.2A)
 0.68A 5gsmB-4iugA:
32.1		 5gsmB-4iugA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H5F_A_SAMA301_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
SFM1)		 1z45 GAL10 BIFUNCTIONAL
PROTEIN
(Saccharomyces
cerevisiae) 		4 / 5 GLY A 667
THR A 535
GLN A 645
THR A 643
 None
None
GAL  A 700 (-4.0A)
None
 1.20A 5h5fA-1z45A:
3.1		 5h5fA-1z45A:
16.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGI_A_ZITA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		 1mco IGG1 MCG INTACT
ANTIBODY (HEAVY
CHAIN)
(Homo
sapiens) 		4 / 6 PRO H 229
HIS H 420
LEU H 391
TYR H 358
 GAL  H 435 (-4.8A)
None
None
None
 1.07A 5igiA-1mcoH:
undetectable		 5igiA-1mcoH:
21.49
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		 1mco IGG1 MCG INTACT
ANTIBODY (HEAVY
CHAIN)
(Homo
sapiens) 		4 / 5 PRO H 229
HIS H 420
LEU H 391
TYR H 358
 GAL  H 435 (-4.8A)
None
None
None
 1.06A 5igjA-1mcoH:
undetectable		 5igjA-1mcoH:
21.49
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.
5IGV_A_ZITA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 3uet ALPHA-1,3/4-FUCOSIDA
SE
(Bifidobacterium
longum) 		5 / 12 ILE A  80
GLY A 129
TYR A  32
GLU A 237
ILE A 204
 None
None
None
GAL  A 504 (-3.5A)
None
 1.19A 5igvA-3uetA:
undetectable		 5igvA-3uetA:
19.49
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3dh4 SODIUM/GLUCOSE
COTRANSPORTER
(Vibrio
parahaemolyticus) 		3 / 3 VAL A 297
SER A  91
MET A 532
 None
GAL  A 701 (-2.5A)
None
 0.77A 5ikqA-3dh4A:
0.0		 5ikqA-3dh4A:
20.94
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.
5IWU_A_ERYA404_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 2w7y PROBABLE SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN
(Streptococcus
pneumoniae) 		5 / 12 HIS A 395
THR A 149
SER A 303
ILE A 302
PHE A 155
 None
None
None
None
GAL  A1429 ( 4.5A)
 1.43A 5iwuA-2w7yA:
undetectable		 5iwuA-2w7yA:
21.44
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.
5JH7_B_6K9B503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		 3dh4 SODIUM/GLUCOSE
COTRANSPORTER
(Vibrio
parahaemolyticus) 		4 / 7 VAL A 302
ASN A  64
ILE A  61
VAL A 297
 None
GAL  A 701 (-3.9A)
None
None
 1.00A 5jh7C-3dh4A:
undetectable		 5jh7C-3dh4A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JSD_A_1GNA615_1
(PHIAB6 TAILSPIKE)		 5ihr PROBABLE
BETA-GALACTOSIDASE A
(Aspergillus
niger) 		3 / 3 TYR A  96
TYR A 260
GLN A 298
 GAL  A4001 (-4.8A)
GAL  A4001 ( 4.6A)
GAL  A4001 (-2.9A)
 1.13A 5jsdA-5ihrA:
undetectable
5jsdB-5ihrA:
undetectable		 5jsdA-5ihrA:
22.19
5jsdB-5ihrA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JSD_A_1GNA615_1
(PHIAB6 TAILSPIKE)		 5ihr PROBABLE
BETA-GALACTOSIDASE A
(Aspergillus
niger) 		3 / 3 TYR A 260
TYR A  96
GLN A 298
 GAL  A4001 ( 4.6A)
GAL  A4001 (-4.8A)
GAL  A4001 (-2.9A)
 1.09A 5jsdA-5ihrA:
undetectable
5jsdB-5ihrA:
undetectable		 5jsdA-5ihrA:
22.19
5jsdB-5ihrA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JSD_B_1GNB606_1
(PHIAB6 TAILSPIKE)		 5ihr PROBABLE
BETA-GALACTOSIDASE A
(Aspergillus
niger) 		3 / 3 TYR A  96
TYR A 260
GLN A 298
 GAL  A4001 (-4.8A)
GAL  A4001 ( 4.6A)
GAL  A4001 (-2.9A)
 1.14A 5jsdB-5ihrA:
undetectable
5jsdC-5ihrA:
undetectable		 5jsdB-5ihrA:
22.19
5jsdC-5ihrA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JSD_B_1GNB606_1
(PHIAB6 TAILSPIKE)		 5ihr PROBABLE
BETA-GALACTOSIDASE A
(Aspergillus
niger) 		3 / 3 TYR A 260
TYR A  96
GLN A 298
 GAL  A4001 ( 4.6A)
GAL  A4001 (-4.8A)
GAL  A4001 (-2.9A)
 1.10A 5jsdB-5ihrA:
undetectable
5jsdC-5ihrA:
undetectable		 5jsdB-5ihrA:
22.19
5jsdC-5ihrA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5K7U_A_SAMA601_1
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 4bq4 B-AGARASE
(Saccharophagus
degradans) 		3 / 3 ASP A 755
ASN A 533
GLN A 534
 None
GAL  A1795 ( 3.3A)
AAL  A1796 ( 3.1A)
 0.78A 5k7uA-4bq4A:
undetectable		 5k7uA-4bq4A:
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.
5KBW_B_RBFB201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		 1z45 GAL10 BIFUNCTIONAL
PROTEIN
(Saccharomyces
cerevisiae) 		5 / 12 LEU A 591
GLY A 661
ASN A 541
ALA A 626
TYR A 647
 None
None
None
None
GAL  A 700 (-4.1A)
 1.19A 5kbwB-1z45A:
undetectable		 5kbwB-1z45A:
14.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L1F_C_6ZPC902_1
(GLUTAMATE RECEPTOR 2)		 2e7t BASIC AGGLUTININ
(Psophocarpus
tetragonolobus) 		4 / 7 SER A 214
ASP A 212
TYR A 106
PHE A 126
 GAL  A 401 ( 3.1A)
A2G  A 400 (-4.9A)
A2G  A 400 ( 4.7A)
A2G  A 400 ( 3.8A)
 1.24A 5l1fC-2e7tA:
undetectable		 5l1fC-2e7tA:
15.32
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.
5LOG_A_LDPA1004_1
(PUTATIVE
O-METHYLTRANSFERASE)		 1tlg POLYANDROCARPA
LECTIN
(Polyandrocarpa
misakiensis) 		4 / 6 ASP A 107
ASP A 108
ASN A  89
TRP A  93
 GAL  A 126 (-2.5A)
CA  A 201 (-3.0A)
CA  A 201 (-3.2A)
None
 1.26A 5logA-1tlgA:
undetectable		 5logA-1tlgA:
20.78
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.
5M6G_A_SORA711_0
(BETA-GLUCOSIDASE)		 5k6o B-GLUCOSIDASE
(metagenome) 		6 / 12 ASP A 532
ARG A 597
LYS A 630
HIS A 631
MET A 674
GLU A 143
 GAL  A1000 (-3.1A)
GAL  A1000 (-3.1A)
GAL  A1000 (-3.0A)
GAL  A1000 (-4.3A)
GAL  A1000 ( 3.9A)
GAL  A1000 (-3.4A)
 0.35A 5m6gA-5k6oA:
18.6		 5m6gA-5k6oA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M8R_C_MMSC516_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 3vv1 PROTEIN LEC-6
(Caenorhabditis
elegans) 		4 / 8 HIS A  60
ASN A  62
HIS A  48
GLY A 135
 GAL  A 201 (-3.8A)
GAL  A 201 (-3.9A)
None
None
 0.92A 5m8rC-3vv1A:
undetectable		 5m8rC-3vv1A:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NM5_B_LOCB502_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		 2zhl GALECTIN-9
(Homo
sapiens) 		4 / 4 ASN A  63
SER A 139
ALA A  46
VAL A  47
 GAL  A1493 (-3.6A)
None
NAG  A1491 ( 3.9A)
None
 0.93A 5nm5A-2zhlA:
undetectable		 5nm5A-2zhlA:
15.08
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.
5NM5_B_LOCB502_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		 3wv6 GALECTIN-9
(Homo
sapiens) 		4 / 4 ASN A  63
SER A 139
ALA A  46
VAL A  47
 GAL  A 402 (-3.9A)
None
None
None
 0.86A 5nm5A-3wv6A:
undetectable		 5nm5A-3wv6A:
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.
5NWW_A_ACAA18_2
(SCRFP-TAG,GP41)		 2v72 EXO-ALPHA-SIALIDASE
(Clostridium
perfringens) 		3 / 3 LYS A  39
TRP A  40
SER A  17
 None
GAL  A1140 (-3.5A)
None
 1.40A 5nwwA-2v72A:
undetectable		 5nwwA-2v72A:
12.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5O4Y_A_CCSA14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2)		 3wv6 GALECTIN-9
(Homo
sapiens) 		4 / 6 PHE A  45
LEU A  38
ARG A  44
GLY A  42
 None
None
GAL  A 402 ( 4.9A)
None
 0.75A 5o4yA-3wv6A:
undetectable		 5o4yA-3wv6A:
4.53
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.
5O4Y_F_CCSF14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2)		 3wv6 GALECTIN-9
(Homo
sapiens) 		4 / 6 PHE A  45
LEU A  38
ARG A  44
GLY A  42
 None
None
GAL  A 402 ( 4.9A)
None
 0.69A 5o4yF-3wv6A:
undetectable		 5o4yF-3wv6A:
4.53
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.
5OAJ_E_TKTE601_1
()		 3thc BETA-GALACTOSIDASE
(Homo
sapiens) 		4 / 8 GLU A 129
TRP A 273
TYR A 485
TYR A 270
 GAL  A 900 (-2.8A)
GAL  A 900 ( 4.9A)
None
None
 1.20A 5oajD-3thcA:
0.0
5oajE-3thcA:
0.0		 5oajD-3thcA:
16.80
5oajE-3thcA:
16.80
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.
5OCS_C_ACTC402_0
(PUTATIVE
NADH-DEPENTDENT
FLAVIN
OXIDOREDUCTASE)		 5ldr BETA-D-GALACTOSIDASE
(Paracoccus
sp.
32d) 		4 / 5 ILE B 133
HIS B 267
HIS B 302
TYR B 135
 None
None
GAL  B 801 (-3.9A)
None
 1.48A 5ocsC-5ldrB:
9.1		 5ocsC-5ldrB:
20.25
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.
5OEX_A_CUA602_0
(THIOCYANATE
DEHYDROGENASE)		 5gqf LACTO-N-BIOSIDASE
(Bifidobacterium
longum) 		3 / 3 LYS A 244
HIS A 150
HIS A 245
 NAG  A 704 (-2.7A)
GAL  A 703 (-4.0A)
GAL  A 703 (-3.9A)
 1.34A 5oexA-5gqfA:
undetectable		 5oexA-5gqfA:
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.
5OEX_B_CUB602_0
(THIOCYANATE
DEHYDROGENASE)		 5gqf LACTO-N-BIOSIDASE
(Bifidobacterium
longum) 		3 / 3 LYS A 244
HIS A 150
HIS A 245
 NAG  A 704 (-2.7A)
GAL  A 703 (-4.0A)
GAL  A 703 (-3.9A)
 1.38A 5oexB-5gqfA:
undetectable		 5oexB-5gqfA:
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.
5OEX_C_CUC603_0
(THIOCYANATE
DEHYDROGENASE)		 5gqf LACTO-N-BIOSIDASE
(Bifidobacterium
longum) 		3 / 3 LYS A 244
HIS A 150
HIS A 245
 NAG  A 704 (-2.7A)
GAL  A 703 (-4.0A)
GAL  A 703 (-3.9A)
 1.37A 5oexC-5gqfA:
undetectable		 5oexC-5gqfA:
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.
5OEX_D_CUD603_0
(THIOCYANATE
DEHYDROGENASE)		 5gqf LACTO-N-BIOSIDASE
(Bifidobacterium
longum) 		3 / 3 LYS A 244
HIS A 150
HIS A 245
 NAG  A 704 (-2.7A)
GAL  A 703 (-4.0A)
GAL  A 703 (-3.9A)
 1.33A 5oexD-5gqfA:
undetectable		 5oexD-5gqfA:
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.
5SYE_B_TA1B502_1
(TUBULIN BETA CHAIN)		 3ogr BETA-GALACTOSIDASE
(Trichoderma
reesei) 		5 / 12 GLU A 298
VAL A 297
SER A 295
GLN A 217
GLY A 243
 GAL  A1024 (-2.7A)
None
None
None
None
 1.15A 5syeB-3ogrA:
undetectable		 5syeB-3ogrA:
18.91
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.
5UHG_C_RFPC1201_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 3qum FAB 5D3D11 HEAVY
CHAIN
PROSTATE-SPECIFIC
ANTIGEN
(Homo
sapiens;
Mus
musculus) 		5 / 12 ASP P 122
SER H  76
ARG H  94
PRO H  52
ILE H  29
 GAL  P 301 ( 3.9A)
GAL  P 301 ( 4.9A)
None
None
None
 1.42A 5uhgC-3qumP:
undetectable		 5uhgC-3qumP:
11.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UUN_A_ACTA304_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 2w7y PROBABLE SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN
(Streptococcus
pneumoniae) 		4 / 4 ARG A 207
THR A 385
GLY A 105
PHE A 155
 A2G  A1428 (-3.3A)
None
A2G  A1428 (-3.8A)
GAL  A1429 ( 4.5A)
 1.05A 5uunA-2w7yA:
0.2		 5uunA-2w7yA:
22.37
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.
5V4V_A_NCAA402_0
(NADPH DEHYDROGENASE
3)		 5ldr BETA-D-GALACTOSIDASE
(Paracoccus
sp.
32d) 		4 / 8 HIS B 470
ASN B 448
PHE B 410
TYR B 494
 None
None
GAL  B 801 (-4.3A)
None
 1.25A 5v4vA-5ldrB:
9.8		 5v4vA-5ldrB:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V4V_B_NCAB402_0
(NADPH DEHYDROGENASE
3)		 5ldr BETA-D-GALACTOSIDASE
(Paracoccus
sp.
32d) 		4 / 8 HIS B 470
ASN B 448
PHE B 410
TYR B 494
 None
None
GAL  B 801 (-4.3A)
None
 1.27A 5v4vB-5ldrB:
9.6		 5v4vB-5ldrB:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_H_CVIH301_1
(REGULATORY PROTEIN
TETR)		 2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN
(Paraburkholderia
phytofirmans) 		4 / 8 GLY A  80
ILE A 180
ASP A 108
ASP A 105
 None
None
None
GAL  A 368 (-2.9A)
 1.03A 5vlmH-2rjoA:
undetectable		 5vlmH-2rjoA:
22.29
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.
5VOO_E_C2FE3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 1rdk MANNOSE-BINDING
PROTEIN-C
(Rattus
rattus) 		4 / 5 ASN 1 171
ASP 1 166
ASN 1 199
ASN 1 192
 None
CA  1 227 ( 2.4A)
CA  1 227 (-3.4A)
GAL  1   1 (-2.7A)
 1.47A 5vooE-1rdk1:
undetectable		 5vooE-1rdk1:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_A_C2FA3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 1fgg GLUCURONYLTRANSFERAS
E I
(Homo
sapiens) 		3 / 3 ASP A 196
ASN A 197
ASP A 252
 MN  A 336 ( 1.8A)
MN  A 336 ( 4.5A)
GAL  A   1 ( 3.5A)
 0.85A 5vopA-1fggA:
3.4		 5vopA-1fggA:
25.08
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.
5VOP_A_C2FA3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 1v84 GALACTOSYLGALACTOSYL
XYLOSYLPROTEIN
3-BETA-GLUCURONOSYLT
RANSFERASE 1
(Homo
sapiens) 		3 / 3 ASP A 197
ASN A 198
ASP A 254
 MN  A 501 ( 2.0A)
MN  A 501 ( 4.6A)
GAL  A 505 (-3.7A)
 0.83A 5vopA-1v84A:
undetectable		 5vopA-1v84A:
23.64
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.
5X23_A_LSNA503_1
(CYTOCHROME P450 2C9)		 1sie POLYOMAVIRUS COAT
PROTEIN VP1
(Mus
musculus
polyomavirus
1) 		4 / 5 PRO A  90
GLY A  91
THR A  94
ASN A  92
 None
GAL  A 385 ( 4.6A)
None
None
 1.21A 5x23A-1sieA:
undetectable		 5x23A-1sieA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_A_ACRA1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 3ajz ANCESTRAL CONGERIN
CON-ANC
(-) 		4 / 7 ASN A  31
HIS A  42
ASP A  64
GLY A  65
 None
GAL  A 133 (-4.0A)
None
None
 1.07A 5x7pA-3ajzA:
undetectable		 5x7pA-3ajzA:
8.11
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.
5X80_A_SALA201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		4 / 5 VAL A 319
PRO A 261
GLY A 263
TYR A 260
 None
None
None
GAL  A1130 (-4.5A)
 1.00A 5x80A-4iugA:
undetectable
5x80B-4iugA:
undetectable		 5x80A-4iugA:
10.46
5x80B-4iugA:
10.46
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.
5X80_B_SALB203_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.) 		4 / 6 PRO A 262
GLY A 264
TYR A 261
LEU A 319
 IOD  A9026 ( 4.4A)
IOD  A9050 ( 3.8A)
GAL  A9011 (-4.1A)
None
 0.99A 5x80A-1xc6A:
undetectable
5x80B-1xc6A:
undetectable		 5x80A-1xc6A:
9.78
5x80B-1xc6A:
9.78
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.
5X80_B_SALB203_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		4 / 6 PRO A 261
GLY A 263
TYR A 260
LEU A 318
 None
None
GAL  A1130 (-4.5A)
None
 0.95A 5x80A-4iugA:
undetectable
5x80B-4iugA:
undetectable		 5x80A-4iugA:
10.46
5x80B-4iugA:
10.46
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.
5X80_C_SALC201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		4 / 7 VAL A 319
PRO A 261
GLY A 263
TYR A 260
 None
None
None
GAL  A1130 (-4.5A)
 1.01A 5x80C-4iugA:
undetectable
5x80D-4iugA:
undetectable		 5x80C-4iugA:
10.46
5x80D-4iugA:
10.46
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.
5X80_D_SALD201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 3ogr BETA-GALACTOSIDASE
(Trichoderma
reesei) 		4 / 5 PRO A 261
GLY A 263
TYR A 260
VAL A 319
 None
None
GAL  A1024 (-4.4A)
None
 1.00A 5x80C-3ogrA:
undetectable
5x80D-3ogrA:
undetectable		 5x80C-3ogrA:
10.37
5x80D-3ogrA:
10.37
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.
5X80_D_SALD201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		4 / 5 PRO A 261
GLY A 263
TYR A 260
VAL A 319
 None
None
GAL  A1130 (-4.5A)
None
 0.97A 5x80C-4iugA:
undetectable
5x80D-4iugA:
undetectable		 5x80C-4iugA:
10.46
5x80D-4iugA:
10.46
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.
5XIP_A_HFGA1003_1
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 5bxp LACTO-N-BIOSIDASE
(Bifidobacterium
bifidum) 		3 / 3 GLU A 216
TRP A 465
HIS A 316
 GAL  A 701 (-2.8A)
LOG  A 702 (-3.8A)
None
 0.58A 5xipA-5bxpA:
3.0		 5xipA-5bxpA:
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.
5XXI_A_LSNA502_1
(CYTOCHROME P450 2C9)		 1sie POLYOMAVIRUS COAT
PROTEIN VP1
(Mus
musculus
polyomavirus
1) 		4 / 6 PRO A  90
GLY A  91
THR A  94
ASN A  92
 None
GAL  A 385 ( 4.6A)
None
None
 1.05A 5xxiA-1sieA:
0.0		 5xxiA-1sieA:
22.27
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.
6AUU_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4cp2 EPITHELIAL ADHESIN 9
([Candida]
glabrata) 		4 / 8 SER A 171
PHE A 147
ASN A 172
ASP A 258
 None
None
None
GAL  A1296 ( 3.5A)
 1.26A 6auuB-4cp2A:
undetectable		 6auuB-4cp2A:
19.15
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.
6B3A_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		 2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN
(Paraburkholderia
phytofirmans) 		5 / 12 GLY A 292
GLY A  61
ASP A 105
ILE A 129
LEU A 291
 None
None
GAL  A 368 (-2.9A)
None
None
 1.13A 6b3aA-2rjoA:
2.2		 6b3aA-2rjoA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B3B_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		 2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN
(Paraburkholderia
phytofirmans) 		5 / 12 GLY A 292
GLY A  61
ASP A 105
ILE A 129
LEU A 291
 None
None
GAL  A 368 (-2.9A)
None
None
 1.09A 6b3bA-2rjoA:
2.6		 6b3bA-2rjoA:
19.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B8K_A_W9TA300_0
(GALECTIN-3)		 1gan GALECTIN-1
(Rhinella
arenarum) 		7 / 7 HIS A  45
ASN A  47
ARG A  49
ASN A  62
TRP A  69
GLU A  72
ARG A  74
 GAL  A 136 (-4.0A)
GAL  A 136 (-3.8A)
NDG  A 135 ( 2.8A)
GAL  A 136 (-3.7A)
GAL  A 136 (-3.7A)
NDG  A 135 ( 2.6A)
NDG  A 135 (-3.4A)
 0.63A 6b8kA-1ganA:
19.7		 6b8kA-1ganA:
35.29
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.
6B8K_A_W9TA300_0
(GALECTIN-3)		 1hlc HUMAN LECTIN
(Homo
sapiens) 		7 / 7 HIS A  45
ASN A  47
ARG A  49
ASN A  58
TRP A  65
GLU A  68
ARG A  70
 GAL  A 998 (-3.8A)
GAL  A 998 (-4.1A)
BGC  A 999 ( 2.7A)
GAL  A 998 (-3.6A)
GAL  A 998 (-3.7A)
BGC  A 999 ( 2.8A)
BGC  A 999 (-4.3A)
 0.50A 6b8kA-1hlcA:
19.8		 6b8kA-1hlcA:
26.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B8K_A_W9TA300_0
(GALECTIN-3)		 1slc BOVINE GALECTIN-1
(Bos
taurus) 		7 / 7 HIS A  44
ASN A  46
ARG A  48
ASN A  61
TRP A  68
GLU A  71
ARG A  73
 GAL  A 352 ( 3.8A)
GAL  A 352 ( 4.2A)
NAG  A 351 ( 3.1A)
GAL  A 352 ( 3.8A)
GAL  A 352 (-4.3A)
NAG  A 351 ( 2.8A)
NAG  A 351 ( 3.0A)
 0.83A 6b8kA-1slcA:
19.5		 6b8kA-1slcA:
36.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B8K_A_W9TA300_0
(GALECTIN-3)		 1ule GALECTIN-2
(Coprinopsis
cinerea) 		6 / 7 HIS A  51
ARG A  55
ASN A  64
TRP A  72
GLU A  75
ARG A  77
 GAL  A 152 (-3.8A)
NAG  A 153 ( 2.8A)
GAL  A 152 (-3.9A)
GAL  A 152 (-3.8A)
NAG  A 153 ( 2.8A)
NAG  A 153 (-3.5A)
 0.30A 6b8kA-1uleA:
17.2		 6b8kA-1uleA:
20.14
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.
6B8K_A_W9TA300_0
(GALECTIN-3)		 1ww6 GALECTIN
(Agrocybe
cylindracea) 		6 / 7 HIS A  62
ARG A  66
ASN A  75
TRP A  83
GLU A  86
ARG A  88
 GAL  A 200 (-4.1A)
BGC  A 201 ( 3.0A)
GAL  A 200 (-3.7A)
GAL  A 200 (-3.6A)
BGC  A 201 ( 3.1A)
BGC  A 201 ( 4.3A)
 0.57A 6b8kA-1ww6A:
15.8		 6b8kA-1ww6A:
25.00
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.
6B8K_A_W9TA300_0
(GALECTIN-3)		 2zhl GALECTIN-9
(Homo
sapiens) 		4 / 7 HIS A  61
ASN A  63
ARG A  44
TRP A  82
 GAL  A1493 ( 3.9A)
GAL  A1493 (-3.6A)
NAG  A1491 (-4.6A)
GAL  A1493 (-3.7A)
 1.10A 6b8kA-2zhlA:
23.7		 6b8kA-2zhlA:
28.77
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.
6B8K_A_W9TA300_0
(GALECTIN-3)		 2zhl GALECTIN-9
(Homo
sapiens) 		7 / 7 HIS A  61
ASN A  63
ARG A  65
ASN A  75
TRP A  82
GLU A  85
ARG A  87
 GAL  A1493 ( 3.9A)
GAL  A1493 (-3.6A)
NAG  A1494 ( 2.8A)
GAL  A1493 (-3.9A)
GAL  A1493 (-3.7A)
NAG  A1494 ( 2.7A)
NAG  A1494 (-4.0A)
 0.39A 6b8kA-2zhlA:
23.7		 6b8kA-2zhlA:
28.77
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.
6B8K_A_W9TA300_0
(GALECTIN-3)		 3ajy ANCESTRAL CONGERIN
CON-ANC
(-) 		6 / 7 HIS A  44
ARG A  48
ASN A  61
TRP A  68
GLU A  71
ARG A  73
 GAL  A 136 (-3.9A)
BGC  A 135 ( 2.9A)
GAL  A 136 (-3.7A)
GAL  A 136 (-3.5A)
BGC  A 135 ( 2.6A)
BGC  A 135 (-4.1A)
 0.76A 6b8kA-3ajyA:
17.7		 6b8kA-3ajyA:
29.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B8K_A_W9TA300_0
(GALECTIN-3)		 3ajz ANCESTRAL CONGERIN
CON-ANC
(-) 		6 / 7 HIS A  42
ARG A  46
ASN A  59
TRP A  66
GLU A  69
ARG A  71
 GAL  A 133 (-4.0A)
BGC  A 134 ( 2.8A)
GAL  A 133 (-3.8A)
GAL  A 133 (-3.7A)
BGC  A 134 ( 2.8A)
BGC  A 134 ( 4.4A)
 0.67A 6b8kA-3ajzA:
19.7		 6b8kA-3ajzA:
30.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B8K_A_W9TA300_0
(GALECTIN-3)		 3ayd GALECTIN-3
(Homo
sapiens) 		7 / 7 HIS A 158
ASN A 160
ARG A 162
ASN A 174
TRP A 181
GLU A 184
ARG A 186
 GAL  A 253 (-3.7A)
GAL  A 253 (-4.1A)
A2G  A 252 ( 3.1A)
GAL  A 253 (-3.9A)
GAL  A 253 (-3.5A)
A2G  A 252 (-3.0A)
GAL  A 256 ( 3.8A)
 0.21A 6b8kA-3aydA:
27.3		 6b8kA-3aydA:
93.75
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.
6B8K_A_W9TA300_0
(GALECTIN-3)		 3nv3 GALECTIN 9 SHORT
ISOFORM VARIANT
(Homo
sapiens) 		7 / 7 HIS A 235
ASN A 237
ARG A 239
ASN A 248
TRP A 255
GLU A 258
ARG A 260
 GAL  A 501 (-3.9A)
GAL  A 501 (-3.8A)
NAG  A 502 ( 2.7A)
GAL  A 501 (-3.8A)
GAL  A 501 (-3.6A)
NAG  A 502 ( 2.7A)
NAG  A 502 (-4.0A)
 0.24A 6b8kA-3nv3A:
24.6		 6b8kA-3nv3A:
26.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B8K_A_W9TA300_0
(GALECTIN-3)		 3vv1 PROTEIN LEC-6
(Caenorhabditis
elegans) 		7 / 7 HIS A  60
ASN A  62
ARG A  64
ASN A  73
TRP A  80
GLU A  83
ARG A  85
 GAL  A 201 (-3.8A)
GAL  A 201 (-3.9A)
FUC  A 202 (-2.7A)
GAL  A 201 (-3.8A)
GAL  A 201 ( 3.8A)
FUC  A 202 (-2.7A)
FUC  A 202 ( 4.1A)
 0.32A 6b8kA-3vv1A:
21.6		 6b8kA-3vv1A:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B8K_A_W9TA300_0
(GALECTIN-3)		 3wuc GALECTIN
(Xenopus
laevis) 		4 / 7 HIS A  47
ASN A  49
ARG A  32
TRP A  71
 GAL  A 202 ( 3.9A)
GAL  A 202 (-4.0A)
GAL  A 202 (-2.8A)
GAL  A 202 ( 3.7A)
 1.16A 6b8kA-3wucA:
18.6		 6b8kA-3wucA:
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.
6B8K_A_W9TA300_0
(GALECTIN-3)		 3wuc GALECTIN
(Xenopus
laevis) 		6 / 7 HIS A  47
ASN A  49
ARG A  51
ASN A  64
TRP A  71
GLU A  74
 GAL  A 202 ( 3.9A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
GAL  A 202 (-3.9A)
GAL  A 202 ( 3.7A)
GLC  A 201 (-2.8A)
 0.28A 6b8kA-3wucA:
18.6		 6b8kA-3wucA:
22.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B8K_A_W9TA300_0
(GALECTIN-3)		 3wud GALECTIN
(Xenopus
laevis) 		7 / 7 HIS A  45
ASN A  47
ARG A  49
ASN A  62
TRP A  69
GLU A  72
ARG A  74
 GAL  A 202 (-3.8A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
GAL  A 202 (-3.9A)
GAL  A 202 (-3.9A)
GLC  A 201 (-2.7A)
GLC  A 201 (-4.0A)
 0.64A 6b8kA-3wudA:
19.5		 6b8kA-3wudA:
36.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B8K_A_W9TA300_0
(GALECTIN-3)		 3wv6 GALECTIN-9
(Homo
sapiens) 		4 / 7 HIS A  61
ASN A  63
ARG A  44
TRP A  82
 GAL  A 402 (-3.9A)
GAL  A 402 (-3.9A)
GAL  A 402 ( 4.9A)
GAL  A 402 (-3.7A)
 1.11A 6b8kA-3wv6A:
23.7		 6b8kA-3wv6A:
15.41
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.
6B8K_A_W9TA300_0
(GALECTIN-3)		 3wv6 GALECTIN-9
(Homo
sapiens) 		7 / 7 HIS A  61
ASN A  63
ARG A  65
ASN A  75
TRP A  82
GLU A  85
ARG A  87
 GAL  A 402 (-3.9A)
GAL  A 402 (-3.9A)
BGC  A 403 (-2.7A)
GAL  A 402 (-4.0A)
GAL  A 402 (-3.7A)
BGC  A 403 (-2.9A)
BGC  A 403 (-4.1A)
 0.37A 6b8kA-3wv6A:
23.7		 6b8kA-3wv6A:
15.41
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.
6B8K_A_W9TA300_0
(GALECTIN-3)		 3wv6 GALECTIN-9
(Homo
sapiens) 		7 / 7 HIS A 235
ASN A 237
ARG A 239
ASN A 248
TRP A 255
GLU A 258
ARG A 260
 GAL  A 404 (-4.0A)
GAL  A 404 (-4.1A)
GLC  A 405 (-2.7A)
GAL  A 404 (-3.7A)
GAL  A 404 ( 3.7A)
GLC  A 405 ( 2.8A)
GLC  A 405 (-4.3A)
 0.24A 6b8kA-3wv6A:
23.7		 6b8kA-3wv6A:
15.41
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.
6B8K_A_W9TA300_0
(GALECTIN-3)		 4fqz GALECTIN-8
(Homo
sapiens) 		5 / 7 HIS A  65
ASN A  67
ARG A  45
ASN A  79
TRP A  86
 GAL  A 401 (-4.0A)
GAL  A 401 (-4.2A)
GAL  A 401 (-2.8A)
GAL  A 401 (-3.8A)
GAL  A 401 (-3.5A)
 1.33A 6b8kA-4fqzA:
22.1		 6b8kA-4fqzA:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B8K_A_W9TA300_0
(GALECTIN-3)		 4fqz GALECTIN-8
(Homo
sapiens) 		6 / 7 HIS A  65
ASN A  67
ARG A  69
ASN A  79
TRP A  86
GLU A  89
 GAL  A 401 (-4.0A)
GAL  A 401 (-4.2A)
BGC  A 402 ( 2.5A)
GAL  A 401 (-3.8A)
GAL  A 401 (-3.5A)
BGC  A 402 ( 3.3A)
 0.30A 6b8kA-4fqzA:
22.1		 6b8kA-4fqzA:
17.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B8K_A_W9TA300_0
(GALECTIN-3)		 4y1y GALECTIN-1
(Homo
sapiens) 		7 / 7 HIS A  44
ASN A  46
ARG A  48
ASN A  61
TRP A  68
GLU A  71
ARG A  73
 GAL  A 201 (-3.9A)
GAL  A 201 (-4.4A)
6S2  A 202 (-2.8A)
GAL  A 201 (-3.8A)
GAL  A 201 ( 4.1A)
6S2  A 202 (-2.6A)
6S2  A 202 (-3.8A)
 0.44A 6b8kA-4y1yA:
19.5		 6b8kA-4y1yA:
33.00
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.
6B8K_A_W9TA300_0
(GALECTIN-3)		 4y26 GALECTIN-7
(Homo
sapiens) 		7 / 7 HIS A  49
ASN A  51
ARG A  53
ASN A  62
TRP A  69
GLU A  72
ARG A  74
 GAL  A 201 (-3.9A)
GAL  A 201 (-4.1A)
6S2  A 202 (-2.9A)
GAL  A 201 (-3.7A)
GAL  A 201 (-3.5A)
6S2  A 202 (-2.8A)
6S2  A 202 (-3.5A)
 0.61A 6b8kA-4y26A:
22.5		 6b8kA-4y26A:
25.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 1gan GALECTIN-1
(Rhinella
arenarum) 		7 / 8 HIS A  45
ASN A  47
ARG A  49
HIS A  53
ASN A  62
TRP A  69
GLU A  72
 GAL  A 136 (-4.0A)
GAL  A 136 (-3.8A)
NDG  A 135 ( 2.8A)
GAL  A 136 (-3.7A)
GAL  A 136 (-3.7A)
GAL  A 136 (-3.7A)
NDG  A 135 ( 2.6A)
 0.40A 6b94A-1ganA:
24.6		 6b94A-1ganA:
60.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 1gan GALECTIN-1
(Rhinella
arenarum) 		7 / 8 HIS A  45
ASN A  47
ARG A  49
HIS A  53
TRP A  69
GLU A  72
ARG A  74
 GAL  A 136 (-4.0A)
GAL  A 136 (-3.8A)
NDG  A 135 ( 2.8A)
GAL  A 136 (-3.7A)
GAL  A 136 (-3.7A)
NDG  A 135 ( 2.6A)
NDG  A 135 (-3.4A)
 0.66A 6b94A-1ganA:
24.6		 6b94A-1ganA:
60.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 1hlc HUMAN LECTIN
(Homo
sapiens) 		7 / 8 HIS A  45
ASN A  47
ARG A  49
ASN A  58
TRP A  65
GLU A  68
ARG A  70
 GAL  A 998 (-3.8A)
GAL  A 998 (-4.1A)
BGC  A 999 ( 2.7A)
GAL  A 998 (-3.6A)
GAL  A 998 (-3.7A)
BGC  A 999 ( 2.8A)
BGC  A 999 (-4.3A)
 0.55A 6b94A-1hlcA:
23.4		 6b94A-1hlcA:
30.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 1slc BOVINE GALECTIN-1
(Bos
taurus) 		8 / 8 HIS A  44
ASN A  46
ARG A  48
HIS A  52
ASN A  61
TRP A  68
GLU A  71
ARG A  73
 GAL  A 352 ( 3.8A)
GAL  A 352 ( 4.2A)
NAG  A 351 ( 3.1A)
GAL  A 352 (-3.5A)
GAL  A 352 ( 3.8A)
GAL  A 352 (-4.3A)
NAG  A 351 ( 2.8A)
NAG  A 351 ( 3.0A)
 0.70A 6b94A-1slcA:
27.4		 6b94A-1slcA:
90.00
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.
6B94_A_W9TA201_0
(GALECTIN-1)		 1ule GALECTIN-2
(Coprinopsis
cinerea) 		6 / 8 HIS A  51
ARG A  55
ASN A  64
TRP A  72
GLU A  75
ARG A  77
 GAL  A 152 (-3.8A)
NAG  A 153 ( 2.8A)
GAL  A 152 (-3.9A)
GAL  A 152 (-3.8A)
NAG  A 153 ( 2.8A)
NAG  A 153 (-3.5A)
 0.48A 6b94A-1uleA:
16.1		 6b94A-1uleA:
27.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B94_A_W9TA201_0
(GALECTIN-1)		 1ww6 GALECTIN
(Agrocybe
cylindracea) 		5 / 8 HIS A  62
ARG A  66
ASN A  75
TRP A  83
ARG A  88
 GAL  A 200 (-4.1A)
BGC  A 201 ( 3.0A)
GAL  A 200 (-3.7A)
GAL  A 200 (-3.6A)
BGC  A 201 ( 4.3A)
 0.84A 6b94A-1ww6A:
14.6		 6b94A-1ww6A:
20.25
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.
6B94_A_W9TA201_0
(GALECTIN-1)		 1ww6 GALECTIN
(Agrocybe
cylindracea) 		5 / 8 HIS A  62
ARG A  66
ASN A  75
TRP A  83
GLU A  86
 GAL  A 200 (-4.1A)
BGC  A 201 ( 3.0A)
GAL  A 200 (-3.7A)
GAL  A 200 (-3.6A)
BGC  A 201 ( 3.1A)
 0.73A 6b94A-1ww6A:
14.6		 6b94A-1ww6A:
20.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 2zhl GALECTIN-9
(Homo
sapiens) 		4 / 8 HIS A  61
ASN A  63
ARG A  44
TRP A  82
 GAL  A1493 ( 3.9A)
GAL  A1493 (-3.6A)
NAG  A1491 (-4.6A)
GAL  A1493 (-3.7A)
 1.07A 6b94A-2zhlA:
19.9		 6b94A-2zhlA:
32.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 2zhl GALECTIN-9
(Homo
sapiens) 		7 / 8 HIS A  61
ASN A  63
ARG A  65
ASN A  75
TRP A  82
GLU A  85
ARG A  87
 GAL  A1493 ( 3.9A)
GAL  A1493 (-3.6A)
NAG  A1494 ( 2.8A)
GAL  A1493 (-3.9A)
GAL  A1493 (-3.7A)
NAG  A1494 ( 2.7A)
NAG  A1494 (-4.0A)
 0.41A 6b94A-2zhlA:
19.9		 6b94A-2zhlA:
32.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 3ajy ANCESTRAL CONGERIN
CON-ANC
(-) 		5 / 8 HIS A  44
ARG A  48
ASN A  61
TRP A  68
GLU A  71
 GAL  A 136 (-3.9A)
BGC  A 135 ( 2.9A)
GAL  A 136 (-3.7A)
GAL  A 136 (-3.5A)
BGC  A 135 ( 2.6A)
 0.48A 6b94A-3ajyA:
22.0		 6b94A-3ajyA:
43.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 3ajy ANCESTRAL CONGERIN
CON-ANC
(-) 		5 / 8 HIS A  44
ARG A  48
TRP A  68
GLU A  71
ARG A  73
 GAL  A 136 (-3.9A)
BGC  A 135 ( 2.9A)
GAL  A 136 (-3.5A)
BGC  A 135 ( 2.6A)
BGC  A 135 (-4.1A)
 0.84A 6b94A-3ajyA:
22.0		 6b94A-3ajyA:
43.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 3ajz ANCESTRAL CONGERIN
CON-ANC
(-) 		5 / 8 HIS A  42
ARG A  46
ASN A  59
TRP A  66
GLU A  69
 GAL  A 133 (-4.0A)
BGC  A 134 ( 2.8A)
GAL  A 133 (-3.8A)
GAL  A 133 (-3.7A)
BGC  A 134 ( 2.8A)
 0.39A 6b94A-3ajzA:
24.5		 6b94A-3ajzA:
35.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 3ajz ANCESTRAL CONGERIN
CON-ANC
(-) 		5 / 8 HIS A  42
ARG A  46
TRP A  66
GLU A  69
ARG A  71
 GAL  A 133 (-4.0A)
BGC  A 134 ( 2.8A)
GAL  A 133 (-3.7A)
BGC  A 134 ( 2.8A)
BGC  A 134 ( 4.4A)
 0.75A 6b94A-3ajzA:
24.5		 6b94A-3ajzA:
35.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 3ayd GALECTIN-3
(Homo
sapiens) 		7 / 8 HIS A 158
ASN A 160
ARG A 162
ASN A 174
TRP A 181
GLU A 184
ARG A 186
 GAL  A 253 (-3.7A)
GAL  A 253 (-4.1A)
A2G  A 252 ( 3.1A)
GAL  A 253 (-3.9A)
GAL  A 253 (-3.5A)
A2G  A 252 (-3.0A)
GAL  A 256 ( 3.8A)
 0.43A 6b94A-3aydA:
19.4		 6b94A-3aydA:
34.78
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.
6B94_A_W9TA201_0
(GALECTIN-1)		 3nv3 GALECTIN 9 SHORT
ISOFORM VARIANT
(Homo
sapiens) 		7 / 8 HIS A 235
ASN A 237
ARG A 239
ASN A 248
TRP A 255
GLU A 258
ARG A 260
 GAL  A 501 (-3.9A)
GAL  A 501 (-3.8A)
NAG  A 502 ( 2.7A)
GAL  A 501 (-3.8A)
GAL  A 501 (-3.6A)
NAG  A 502 ( 2.7A)
NAG  A 502 (-4.0A)
 0.41A 6b94A-3nv3A:
19.4		 6b94A-3nv3A:
23.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 3vv1 PROTEIN LEC-6
(Caenorhabditis
elegans) 		7 / 8 HIS A  60
ASN A  62
ARG A  64
ASN A  73
TRP A  80
GLU A  83
ARG A  85
 GAL  A 201 (-3.8A)
GAL  A 201 (-3.9A)
FUC  A 202 (-2.7A)
GAL  A 201 (-3.8A)
GAL  A 201 ( 3.8A)
FUC  A 202 (-2.7A)
FUC  A 202 ( 4.1A)
 0.49A 6b94A-3vv1A:
18.2		 6b94A-3vv1A:
31.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 3wuc GALECTIN
(Xenopus
laevis) 		4 / 8 HIS A  47
ASN A  49
ARG A  32
TRP A  71
 GAL  A 202 ( 3.9A)
GAL  A 202 (-4.0A)
GAL  A 202 (-2.8A)
GAL  A 202 ( 3.7A)
 1.13A 6b94A-3wucA:
23.9		 6b94A-3wucA:
42.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 3wuc GALECTIN
(Xenopus
laevis) 		6 / 8 HIS A  47
ASN A  49
ARG A  51
ASN A  64
TRP A  71
GLU A  74
 GAL  A 202 ( 3.9A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
GAL  A 202 (-3.9A)
GAL  A 202 ( 3.7A)
GLC  A 201 (-2.8A)
 0.35A 6b94A-3wucA:
23.9		 6b94A-3wucA:
42.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 3wud GALECTIN
(Xenopus
laevis) 		8 / 8 HIS A  45
ASN A  47
ARG A  49
HIS A  52
ASN A  62
TRP A  69
GLU A  72
ARG A  74
 GAL  A 202 (-3.8A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
SO4  A 203 (-3.9A)
GAL  A 202 (-3.9A)
GAL  A 202 (-3.9A)
GLC  A 201 (-2.7A)
GLC  A 201 (-4.0A)
 1.00A 6b94A-3wudA:
25.3		 6b94A-3wudA:
60.00
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.
6B94_A_W9TA201_0
(GALECTIN-1)		 3wv6 GALECTIN-9
(Homo
sapiens) 		4 / 8 HIS A  61
ASN A  63
ARG A  44
TRP A  82
 GAL  A 402 (-3.9A)
GAL  A 402 (-3.9A)
GAL  A 402 ( 4.9A)
GAL  A 402 (-3.7A)
 1.04A 6b94A-3wv6A:
19.4		 6b94A-3wv6A:
12.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B94_A_W9TA201_0
(GALECTIN-1)		 3wv6 GALECTIN-9
(Homo
sapiens) 		7 / 8 HIS A  61
ASN A  63
ARG A  65
ASN A  75
TRP A  82
GLU A  85
ARG A  87
 GAL  A 402 (-3.9A)
GAL  A 402 (-3.9A)
BGC  A 403 (-2.7A)
GAL  A 402 (-4.0A)
GAL  A 402 (-3.7A)
BGC  A 403 (-2.9A)
BGC  A 403 (-4.1A)
 0.38A 6b94A-3wv6A:
19.4		 6b94A-3wv6A:
12.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B94_A_W9TA201_0
(GALECTIN-1)		 3wv6 GALECTIN-9
(Homo
sapiens) 		7 / 8 HIS A 235
ASN A 237
ARG A 239
ASN A 248
TRP A 255
GLU A 258
ARG A 260
 GAL  A 404 (-4.0A)
GAL  A 404 (-4.1A)
GLC  A 405 (-2.7A)
GAL  A 404 (-3.7A)
GAL  A 404 ( 3.7A)
GLC  A 405 ( 2.8A)
GLC  A 405 (-4.3A)
 0.54A 6b94A-3wv6A:
19.4		 6b94A-3wv6A:
12.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B94_A_W9TA201_0
(GALECTIN-1)		 4fqz GALECTIN-8
(Homo
sapiens) 		5 / 8 HIS A  65
ASN A  67
ARG A  45
ASN A  79
TRP A  86
 GAL  A 401 (-4.0A)
GAL  A 401 (-4.2A)
GAL  A 401 (-2.8A)
GAL  A 401 (-3.8A)
GAL  A 401 (-3.5A)
 1.27A 6b94A-4fqzA:
18.2		 6b94A-4fqzA:
16.25
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.
6B94_A_W9TA201_0
(GALECTIN-1)		 4fqz GALECTIN-8
(Homo
sapiens) 		6 / 8 HIS A  65
ASN A  67
ARG A  69
ASN A  79
TRP A  86
GLU A  89
 GAL  A 401 (-4.0A)
GAL  A 401 (-4.2A)
BGC  A 402 ( 2.5A)
GAL  A 401 (-3.8A)
GAL  A 401 (-3.5A)
BGC  A 402 ( 3.3A)
 0.46A 6b94A-4fqzA:
18.2		 6b94A-4fqzA:
16.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 4y1y GALECTIN-1
(Homo
sapiens) 		8 / 8 HIS A  44
ASN A  46
ARG A  48
HIS A  52
ASN A  61
TRP A  68
GLU A  71
ARG A  73
 GAL  A 201 (-3.9A)
GAL  A 201 (-4.4A)
6S2  A 202 (-2.8A)
GAL  A 201 (-4.2A)
GAL  A 201 (-3.8A)
GAL  A 201 ( 4.1A)
6S2  A 202 (-2.6A)
6S2  A 202 (-3.8A)
 0.36A 6b94A-4y1yA:
28.7		 6b94A-4y1yA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 4y26 GALECTIN-7
(Homo
sapiens) 		7 / 8 HIS A  49
ASN A  51
ARG A  53
ASN A  62
TRP A  69
GLU A  72
ARG A  74
 GAL  A 201 (-3.9A)
GAL  A 201 (-4.1A)
6S2  A 202 (-2.9A)
GAL  A 201 (-3.7A)
GAL  A 201 (-3.5A)
6S2  A 202 (-2.8A)
6S2  A 202 (-3.5A)
 0.68A 6b94A-4y26A:
20.0		 6b94A-4y26A:
35.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_B_W9TB201_0
(GALECTIN-1)		 1gan GALECTIN-1
(Rhinella
arenarum) 		9 / 10 HIS A  45
ASN A  47
ARG A  49
HIS A  53
ASP A  55
ASN A  62
TRP A  69
GLU A  72
ARG A  74
 GAL  A 136 (-4.0A)
GAL  A 136 (-3.8A)
NDG  A 135 ( 2.8A)
GAL  A 136 (-3.7A)
None
GAL  A 136 (-3.7A)
GAL  A 136 (-3.7A)
NDG  A 135 ( 2.6A)
NDG  A 135 (-3.4A)
 0.67A 6b94A-1ganA:
24.6
6b94B-1ganA:
24.4		 6b94A-1ganA:
60.49
6b94B-1ganA:
60.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_B_W9TB201_0
(GALECTIN-1)		 1hlc HUMAN LECTIN
(Homo
sapiens) 		7 / 10 HIS A  45
ASN A  47
ARG A  49
ASN A  58
TRP A  65
GLU A  68
ARG A  70
 GAL  A 998 (-3.8A)
GAL  A 998 (-4.1A)
BGC  A 999 ( 2.7A)
GAL  A 998 (-3.6A)
GAL  A 998 (-3.7A)
BGC  A 999 ( 2.8A)
BGC  A 999 (-4.3A)
 0.50A 6b94A-1hlcA:
23.4
6b94B-1hlcA:
23.2		 6b94A-1hlcA:
30.71
6b94B-1hlcA:
30.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_B_W9TB201_0
(GALECTIN-1)		 1slc BOVINE GALECTIN-1
(Bos
taurus) 		8 / 10 HIS A  44
ASN A  46
ARG A  48
HIS A  52
ASN A  61
TRP A  68
GLU A  71
ARG A  73
 GAL  A 352 ( 3.8A)
GAL  A 352 ( 4.2A)
NAG  A 351 ( 3.1A)
GAL  A 352 (-3.5A)
GAL  A 352 ( 3.8A)
GAL  A 352 (-4.3A)
NAG  A 351 ( 2.8A)
NAG  A 351 ( 3.0A)
 0.78A 6b94A-1slcA:
27.4
6b94B-1slcA:
26.5		 6b94A-1slcA:
90.00
6b94B-1slcA:
90.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_B_W9TB201_0
(GALECTIN-1)		 1slc BOVINE GALECTIN-1
(Bos
taurus) 		8 / 10 HIS A  44
ASN A  46
ARG A  48
HIS A  52
ASP A  54
ASN A  61
TRP A  68
GLU A  71
 GAL  A 352 ( 3.8A)
GAL  A 352 ( 4.2A)
NAG  A 351 ( 3.1A)
GAL  A 352 (-3.5A)
NAG  A 355 (-3.4A)
GAL  A 352 ( 3.8A)
GAL  A 352 (-4.3A)
NAG  A 351 ( 2.8A)
 0.47A 6b94A-1slcA:
27.4
6b94B-1slcA:
26.5		 6b94A-1slcA:
90.00
6b94B-1slcA:
90.00
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.
6B94_B_W9TB201_0
(GALECTIN-1)		 1ule GALECTIN-2
(Coprinopsis
cinerea) 		6 / 10 HIS A  51
ARG A  55
ASN A  64
TRP A  72
GLU A  75
ARG A  77
 GAL  A 152 (-3.8A)
NAG  A 153 ( 2.8A)
GAL  A 152 (-3.9A)
GAL  A 152 (-3.8A)
NAG  A 153 ( 2.8A)
NAG  A 153 (-3.5A)
 0.45A 6b94A-1uleA:
16.1
6b94B-1uleA:
15.2		 6b94A-1uleA:
27.62
6b94B-1uleA:
27.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B94_B_W9TB201_0
(GALECTIN-1)		 1ww6 GALECTIN
(Agrocybe
cylindracea) 		6 / 10 HIS A  62
ARG A  66
ASN A  75
TRP A  83
GLU A  86
ARG A  88
 GAL  A 200 (-4.1A)
BGC  A 201 ( 3.0A)
GAL  A 200 (-3.7A)
GAL  A 200 (-3.6A)
BGC  A 201 ( 3.1A)
BGC  A 201 ( 4.3A)
 0.73A 6b94A-1ww6A:
14.6
6b94B-1ww6A:
14.2		 6b94A-1ww6A:
20.25
6b94B-1ww6A:
20.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_B_W9TB201_0
(GALECTIN-1)		 2zhl GALECTIN-9
(Homo
sapiens) 		7 / 10 HIS A  61
ASN A  63
ARG A  65
ASN A  75
TRP A  82
GLU A  85
ARG A  87
 GAL  A1493 ( 3.9A)
GAL  A1493 (-3.6A)
NAG  A1494 ( 2.8A)
GAL  A1493 (-3.9A)
GAL  A1493 (-3.7A)
NAG  A1494 ( 2.7A)
NAG  A1494 (-4.0A)
 0.43A 6b94A-2zhlA:
19.9
6b94B-2zhlA:
19.7		 6b94A-2zhlA:
32.29
6b94B-2zhlA:
32.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_B_W9TB201_0
(GALECTIN-1)		 3ajy ANCESTRAL CONGERIN
CON-ANC
(-) 		7 / 10 HIS A  44
ARG A  48
ASP A  54
ASN A  61
TRP A  68
GLU A  71
ARG A  73
 GAL  A 136 (-3.9A)
BGC  A 135 ( 2.9A)
None
GAL  A 136 (-3.7A)
GAL  A 136 (-3.5A)
BGC  A 135 ( 2.6A)
BGC  A 135 (-4.1A)
 0.81A 6b94A-3ajyA:
22.0
6b94B-3ajyA:
21.9		 6b94A-3ajyA:
43.21
6b94B-3ajyA:
43.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_B_W9TB201_0
(GALECTIN-1)		 3ajz ANCESTRAL CONGERIN
CON-ANC
(-) 		7 / 10 HIS A  42
ARG A  46
ASP A  52
ASN A  59
TRP A  66
GLU A  69
ARG A  71
 GAL  A 133 (-4.0A)
BGC  A 134 ( 2.8A)
None
GAL  A 133 (-3.8A)
GAL  A 133 (-3.7A)
BGC  A 134 ( 2.8A)
BGC  A 134 ( 4.4A)
 0.74A 6b94A-3ajzA:
24.5
6b94B-3ajzA:
24.4		 6b94A-3ajzA:
35.63
6b94B-3ajzA:
35.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_B_W9TB201_0
(GALECTIN-1)		 3ayd GALECTIN-3
(Homo
sapiens) 		7 / 10 HIS A 158
ASN A 160
ARG A 162
ASN A 174
TRP A 181
GLU A 184
ARG A 186
 GAL  A 253 (-3.7A)
GAL  A 253 (-4.1A)
A2G  A 252 ( 3.1A)
GAL  A 253 (-3.9A)
GAL  A 253 (-3.5A)
A2G  A 252 (-3.0A)
GAL  A 256 ( 3.8A)
 0.41A 6b94A-3aydA:
19.4
6b94B-3aydA:
19.1		 6b94A-3aydA:
34.78
6b94B-3aydA:
34.78
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.
6B94_B_W9TB201_0
(GALECTIN-1)		 3nv3 GALECTIN 9 SHORT
ISOFORM VARIANT
(Homo
sapiens) 		7 / 10 HIS A 235
ASN A 237
ARG A 239
ASN A 248
TRP A 255
GLU A 258
ARG A 260
 GAL  A 501 (-3.9A)
GAL  A 501 (-3.8A)
NAG  A 502 ( 2.7A)
GAL  A 501 (-3.8A)
GAL  A 501 (-3.6A)
NAG  A 502 ( 2.7A)
NAG  A 502 (-4.0A)
 0.39A 6b94A-3nv3A:
19.4
6b94B-3nv3A:
18.6		 6b94A-3nv3A:
23.31
6b94B-3nv3A:
23.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_B_W9TB201_0
(GALECTIN-1)		 3vv1 PROTEIN LEC-6
(Caenorhabditis
elegans) 		7 / 10 HIS A  60
ASN A  62
ARG A  64
ASN A  73
TRP A  80
GLU A  83
ARG A  85
 GAL  A 201 (-3.8A)
GAL  A 201 (-3.9A)
FUC  A 202 (-2.7A)
GAL  A 201 (-3.8A)
GAL  A 201 ( 3.8A)
FUC  A 202 (-2.7A)
FUC  A 202 ( 4.1A)
 0.41A 6b94A-3vv1A:
18.2
6b94B-3vv1A:
18.1		 6b94A-3vv1A:
31.00
6b94B-3vv1A:
31.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_B_W9TB201_0
(GALECTIN-1)		 3wuc GALECTIN
(Xenopus
laevis) 		7 / 10 HIS A  47
ASN A  49
ARG A  51
ASP A  57
ASN A  64
TRP A  71
GLU A  74
 GAL  A 202 ( 3.9A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
None
GAL  A 202 (-3.9A)
GAL  A 202 ( 3.7A)
GLC  A 201 (-2.8A)
 0.42A 6b94A-3wucA:
23.9
6b94B-3wucA:
23.9		 6b94A-3wucA:
42.35
6b94B-3wucA:
42.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_B_W9TB201_0
(GALECTIN-1)		 3wud GALECTIN
(Xenopus
laevis) 		9 / 10 HIS A  45
ASN A  47
ARG A  49
HIS A  52
ASP A  55
ASN A  62
TRP A  69
GLU A  72
ARG A  74
 GAL  A 202 (-3.8A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
SO4  A 203 (-3.9A)
None
GAL  A 202 (-3.9A)
GAL  A 202 (-3.9A)
GLC  A 201 (-2.7A)
GLC  A 201 (-4.0A)
 1.00A 6b94A-3wudA:
25.3
6b94B-3wudA:
24.9		 6b94A-3wudA:
60.00
6b94B-3wudA:
60.00
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.
6B94_B_W9TB201_0
(GALECTIN-1)		 3wv6 GALECTIN-9
(Homo
sapiens) 		7 / 10 HIS A  61
ASN A  63
ARG A  65
ASN A  75
TRP A  82
GLU A  85
ARG A  87
 GAL  A 402 (-3.9A)
GAL  A 402 (-3.9A)
BGC  A 403 (-2.7A)
GAL  A 402 (-4.0A)
GAL  A 402 (-3.7A)
BGC  A 403 (-2.9A)
BGC  A 403 (-4.1A)
 0.46A 6b94A-3wv6A:
19.4
6b94B-3wv6A:
19.1		 6b94A-3wv6A:
12.93
6b94B-3wv6A:
12.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B94_B_W9TB201_0
(GALECTIN-1)		 3wv6 GALECTIN-9
(Homo
sapiens) 		7 / 10 HIS A 235
ASN A 237
ARG A 239
ASN A 248
TRP A 255
GLU A 258
ARG A 260
 GAL  A 404 (-4.0A)
GAL  A 404 (-4.1A)
GLC  A 405 (-2.7A)
GAL  A 404 (-3.7A)
GAL  A 404 ( 3.7A)
GLC  A 405 ( 2.8A)
GLC  A 405 (-4.3A)
 0.44A 6b94A-3wv6A:
19.4
6b94B-3wv6A:
19.1		 6b94A-3wv6A:
12.93
6b94B-3wv6A:
12.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B94_B_W9TB201_0
(GALECTIN-1)		 4fqz GALECTIN-8
(Homo
sapiens) 		5 / 10 HIS A  65
ASN A  67
ARG A  45
ASN A  79
TRP A  86
 GAL  A 401 (-4.0A)
GAL  A 401 (-4.2A)
GAL  A 401 (-2.8A)
GAL  A 401 (-3.8A)
GAL  A 401 (-3.5A)
 1.33A 6b94A-4fqzA:
18.2
6b94B-4fqzA:
17.8		 6b94A-4fqzA:
16.25
6b94B-4fqzA:
16.25
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.
6B94_B_W9TB201_0
(GALECTIN-1)		 4fqz GALECTIN-8
(Homo
sapiens) 		6 / 10 HIS A  65
ASN A  67
ARG A  69
ASN A  79
TRP A  86
GLU A  89
 GAL  A 401 (-4.0A)
GAL  A 401 (-4.2A)
BGC  A 402 ( 2.5A)
GAL  A 401 (-3.8A)
GAL  A 401 (-3.5A)
BGC  A 402 ( 3.3A)
 0.42A 6b94A-4fqzA:
18.2
6b94B-4fqzA:
17.8		 6b94A-4fqzA:
16.25
6b94B-4fqzA:
16.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_B_W9TB201_0
(GALECTIN-1)		 4y1y GALECTIN-1
(Homo
sapiens) 		9 / 10 HIS A  44
ASN A  46
ARG A  48
HIS A  52
ASP A  54
ASN A  61
TRP A  68
GLU A  71
ARG A  73
 GAL  A 201 (-3.9A)
GAL  A 201 (-4.4A)
6S2  A 202 (-2.8A)
GAL  A 201 (-4.2A)
6S2  A 202 (-3.5A)
GAL  A 201 (-3.8A)
GAL  A 201 ( 4.1A)
6S2  A 202 (-2.6A)
6S2  A 202 (-3.8A)
 0.44A 6b94A-4y1yA:
28.7
6b94B-4y1yA:
26.8		 6b94A-4y1yA:
78.79
6b94B-4y1yA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_B_W9TB201_0
(GALECTIN-1)		 4y26 GALECTIN-7
(Homo
sapiens) 		7 / 10 HIS A  49
ASN A  51
ARG A  53
ASN A  62
TRP A  69
GLU A  72
ARG A  74
 GAL  A 201 (-3.9A)
GAL  A 201 (-4.1A)
6S2  A 202 (-2.9A)
GAL  A 201 (-3.7A)
GAL  A 201 (-3.5A)
6S2  A 202 (-2.8A)
6S2  A 202 (-3.5A)
 0.71A 6b94A-4y26A:
20.0
6b94B-4y26A:
19.4		 6b94A-4y26A:
35.51
6b94B-4y26A:
35.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ECE_C_DVAC3010_0
(VLM2
DODECADEPSIPEPTIDE)		 3dh4 SODIUM/GLUCOSE
COTRANSPORTER
(Vibrio
parahaemolyticus) 		3 / 3 ALA A 259
PHE A 479
GLN A 425
 GAL  A 701 ( 4.0A)
None
None
 0.82A 6eceA-3dh4A:
undetectable		 6eceA-3dh4A:
19.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6FK2_A_SORA302_0
(GALECTIN-3)		 3ayd GALECTIN-3
(Homo
sapiens) 		4 / 4 ARG A 162
GLU A 165
GLU A 184
ARG A 186
 A2G  A 252 ( 3.1A)
None
A2G  A 252 (-3.0A)
GAL  A 256 ( 3.8A)
 0.31A 6fk2A-3aydA:
27.4		 6fk2A-3aydA:
97.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6FK2_A_SORA302_0
(GALECTIN-3)		 3ayd GALECTIN-3
(Homo
sapiens) 		4 / 4 ARG A 186
GLU A 184
GLU A 165
ARG A 162
 GAL  A 256 ( 3.8A)
A2G  A 252 (-3.0A)
None
A2G  A 252 ( 3.1A)
 0.96A 6fk2A-3aydA:
27.4		 6fk2A-3aydA:
97.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNF_A_QPSA602_1
(-)		 1led WEST-CENTRAL AFRICAN
LEGUME LECTIN IV
(Griffonia
simplicifolia) 		5 / 12 ASP A  89
ASN A  82
ARG A  48
PRO A  86
GLY A  84
 GAL  A 253 ( 2.8A)
None
FUC  A 254 ( 4.2A)
None
None
 1.20A 6gnfA-1ledA:
undetectable		 6gnfA-1ledA:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MD4_A_BRLA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4wwh ABC TRANSPORTER
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLY A 275
GLN A 276
TYR A 358
LEU A 353
ILE A 286
 None
GAL  A 401 ( 3.9A)
TRS  A 402 (-2.9A)
None
None
 1.47A 6md4A-4wwhA:
undetectable		 6md4A-4wwhA:
13.28
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.
6MN4_E_AM2E301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 5dvj BINDING PROTEIN
COMPONENT OF ABC
SUGAR TRANSPORTER
(Pseudomonas
putida) 		4 / 7 TRP A 270
HIS A 379
THR A 195
HIS A  34
 GAL  A 501 (-3.6A)
GAL  A 501 (-3.9A)
None
None
 1.05A 6mn4E-5dvjA:
undetectable		 6mn4E-5dvjA:
21.67
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.
6MN4_F_AM2F301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 1ww6 GALECTIN
(Agrocybe
cylindracea) 		4 / 7 TRP A  83
HIS A  62
ARG A  88
GLU A  69
 GAL  A 200 (-3.6A)
GAL  A 200 (-4.1A)
BGC  A 201 ( 4.3A)
None
 1.42A 6mn4F-1ww6A:
undetectable		 6mn4F-1ww6A:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN4_F_AM2F301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 3ob8 BETA-GALACTOSIDASE
(Kluyveromyces
lactis) 		4 / 7 TRP A 582
HIS A 389
GLU A 414
GLU A 431
 GAL  A2001 (-4.0A)
GAL  A2001 (-3.8A)
MG  A3001 (-2.8A)
None
 1.40A 6mn4F-3ob8A:
undetectable		 6mn4F-3ob8A:
12.83
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.
6MN5_A_LLLA301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 5bxp LACTO-N-BIOSIDASE
(Bifidobacterium
bifidum) 		4 / 6 ASP A 467
GLU A 321
ASP A 320
GLU A 257
 LOG  A 702 (-2.9A)
LOG  A 702 (-3.1A)
GAL  A 701 (-3.0A)
None
 1.23A 6mn5A-5bxpA:
undetectable		 6mn5A-5bxpA:
7.63
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.
6MN5_C_LLLC301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 5bxp LACTO-N-BIOSIDASE
(Bifidobacterium
bifidum) 		4 / 6 ASP A 467
GLU A 321
ASP A 320
GLU A 257
 LOG  A 702 (-2.9A)
LOG  A 702 (-3.1A)
GAL  A 701 (-3.0A)
None
 1.32A 6mn5C-5bxpA:
undetectable		 6mn5C-5bxpA:
7.63
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.
6MN5_D_LLLD301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 5bxp LACTO-N-BIOSIDASE
(Bifidobacterium
bifidum) 		4 / 6 ASP A 467
GLU A 321
ASP A 320
GLU A 257
 LOG  A 702 (-2.9A)
LOG  A 702 (-3.1A)
GAL  A 701 (-3.0A)
None
 1.36A 6mn5D-5bxpA:
undetectable		 6mn5D-5bxpA:
7.63
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.
6NMF_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5ldr BETA-D-GALACTOSIDASE
(Paracoccus
sp.
32d) 		4 / 7 HIS B 509
TRP B 489
THR B 496
TYR B 135
 None
GAL  B 801 (-3.8A)
None
None
 1.50A 6nmfN-5ldrB:
undetectable
6nmfP-5ldrB:
undetectable		 6nmfN-5ldrB:
20.51
6nmfP-5ldrB:
13.25