SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'NDG'


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.
1DVX_B_DIFB125_2
(TRANSTHYRETIN)		 1abr ABRIN-A
(Abrus
precatorius) 		4 / 7 LEU A 232
SER A 233
THR B 138
VAL B  16
 None
None
None
NDG  B 273 ( 4.9A)
 0.88A 1dvxB-1abrA:
0.0		 1dvxB-1abrA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GRM_A_DVAA6_0
(GRAMICIDIN A)		 1abr ABRIN-A
(Abrus
precatorius) 		3 / 3 ALA B 109
VAL B 111
TRP B  98
 None
None
NDG  B 268 (-4.0A)
 0.83A 1grmA-1abrB:
undetectable		 1grmA-1abrB:
4.15
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.
1GRM_B_DVAB6_0
(GRAMICIDIN A)		 1abr ABRIN-A
(Abrus
precatorius) 		3 / 3 ALA B 109
VAL B 111
TRP B  98
 None
None
NDG  B 268 (-4.0A)
 0.83A 1grmB-1abrB:
undetectable		 1grmB-1abrB:
4.15
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.
1JTX_A_CVIA200_0
(HYPOTHETICAL
TRANSCRIPTIONAL
REGULATOR IN QACA
5'REGION)		 1xfd DIPEPTIDYL
AMINOPEPTIDASE-LIKE
PROTEIN 6
(Homo
sapiens) 		5 / 12 THR A 397
ILE A 354
ILE A 318
GLU A 380
ALA A 402
 None
None
None
None
NDG  A1404 ( 4.0A)
 1.30A 1jtxA-1xfdA:
undetectable		 1jtxA-1xfdA:
13.88
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.
1XDK_B_9CRB600_2
(RETINOIC ACID
RECEPTOR, BETA)		 1q5a EP-CADHERIN
(Mus
musculus) 		3 / 3 LEU A 312
PHE A 308
ARG A 262
 None
NDG  A 804 (-4.9A)
NAG  A 805 ( 4.6A)
 0.89A 1xdkB-1q5aA:
undetectable		 1xdkB-1q5aA:
15.92
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.
2CML_A_ZMRA1478_1
(NEURAMINIDASE)		 3a79 TOLL-LIKE RECEPTOR
6, VARIABLE
LYMPHOCYTE RECEPTOR
B
(Eptatretus
burgeri;
Mus
musculus) 		4 / 7 SER B 436
SER B 437
SER B 411
ASN B 434
 NDG  B 971 (-3.6A)
NAG  B 972 ( 4.2A)
NDG  B 971 (-2.7A)
NDG  B 971 (-2.1A)
 1.02A 2cmlA-3a79B:
undetectable		 2cmlA-3a79B:
21.32
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.
2CML_B_ZMRB2478_1
(NEURAMINIDASE)		 3a79 TOLL-LIKE RECEPTOR
6, VARIABLE
LYMPHOCYTE RECEPTOR
B
(Eptatretus
burgeri;
Mus
musculus) 		4 / 8 SER B 436
SER B 437
SER B 411
ASN B 434
 NDG  B 971 (-3.6A)
NAG  B 972 ( 4.2A)
NDG  B 971 (-2.7A)
NDG  B 971 (-2.1A)
 0.94A 2cmlB-3a79B:
undetectable		 2cmlB-3a79B:
21.32
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.
2CML_C_ZMRC3478_1
(NEURAMINIDASE)		 3a79 TOLL-LIKE RECEPTOR
6, VARIABLE
LYMPHOCYTE RECEPTOR
B
(Eptatretus
burgeri;
Mus
musculus) 		4 / 8 SER B 436
SER B 437
SER B 411
ASN B 434
 NDG  B 971 (-3.6A)
NAG  B 972 ( 4.2A)
NDG  B 971 (-2.7A)
NDG  B 971 (-2.1A)
 0.98A 2cmlC-3a79B:
undetectable		 2cmlC-3a79B:
21.32
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.
2CML_D_ZMRD4478_1
(NEURAMINIDASE)		 3a79 TOLL-LIKE RECEPTOR
6, VARIABLE
LYMPHOCYTE RECEPTOR
B
(Eptatretus
burgeri;
Mus
musculus) 		4 / 8 SER B 436
SER B 437
SER B 411
ASN B 434
 NDG  B 971 (-3.6A)
NAG  B 972 ( 4.2A)
NDG  B 971 (-2.7A)
NDG  B 971 (-2.1A)
 1.07A 2cmlD-3a79B:
undetectable		 2cmlD-3a79B:
21.32
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.
2F7F_A_NIOA601_1
(NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE, PUTATIVE)		 3cql ENDOCHITINASE
(Carica
papaya) 		4 / 6 PHE A 218
ARG A 215
GLY A  83
THR A  69
 None
NDG  A 244 (-4.4A)
None
None
 1.15A 2f7fA-3cqlA:
undetectable		 2f7fA-3cqlA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JJP_A_KLNA413_1
(CYTOCHROME P450
113A1)		 1abr ABRIN-A
(Abrus
precatorius) 		5 / 12 PRO B  14
ALA B  90
ALA B  92
THR B  71
ILE B  62
 NDG  B 273 (-3.7A)
None
None
None
None
 1.29A 2jjpA-1abrB:
0.0		 2jjpA-1abrB:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PXC_A_SAMA500_0
(GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)])		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		6 / 12 GLY A  11
GLY A 175
TRP A 155
ASP A  29
ASP A  13
ILE A  12
 None
None
None
None
NDG  A 501 (-3.6A)
None
 1.41A 2pxcA-4kruA:
undetectable		 2pxcA-4kruA:
20.07
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.
2QMZ_B_LDPB502_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE)		 1tl2 PROTEIN
(TACHYLECTIN-2)
(Tachypleus
tridentatus) 		4 / 5 GLN A 199
PHE A 184
TRP A 216
GLY A 179
 None
None
None
NDG  A 241 (-4.7A)
 1.29A 2qmzA-1tl2A:
undetectable
2qmzB-1tl2A:
undetectable		 2qmzA-1tl2A:
24.06
2qmzB-1tl2A:
24.06
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.
2QX4_B_ML1B233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4mb5 CHITINASE 60
(Moritella
marina) 		4 / 7 GLY A 223
THR A 282
GLN A 222
PHE A 192
 NDG  A 611 (-3.6A)
None
NAG  A 610 (-3.2A)
None
 1.09A 2qx4A-4mb5A:
undetectable
2qx4B-4mb5A:
undetectable		 2qx4A-4mb5A:
18.49
2qx4B-4mb5A:
18.49
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.
2VMY_A_FFOA505_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1tl2 PROTEIN
(TACHYLECTIN-2)
(Tachypleus
tridentatus) 		5 / 12 LEU A   7
GLY A  18
LEU A 234
ALA A  32
GLY A 224
 None
None
None
None
NDG  A 238 (-3.2A)
 0.98A 2vmyB-1tl2A:
undetectable		 2vmyB-1tl2A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VMY_B_FFOB505_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1tl2 PROTEIN
(TACHYLECTIN-2)
(Tachypleus
tridentatus) 		5 / 12 LEU A   7
GLY A  18
LEU A 234
ALA A  32
GLY A 224
 None
None
None
None
NDG  A 238 (-3.2A)
 0.94A 2vmyA-1tl2A:
undetectable		 2vmyA-1tl2A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VMY_B_FFOB505_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1tl2 PROTEIN
(TACHYLECTIN-2)
(Tachypleus
tridentatus) 		5 / 12 LEU A  54
GLY A  65
LEU A  46
ALA A  79
GLY A  36
 None
None
None
None
NDG  A 237 (-3.0A)
 0.94A 2vmyA-1tl2A:
undetectable		 2vmyA-1tl2A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XRZ_A_ACTA1470_0
(DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE)		 1e33 ARYLSULFATASE A
(Homo
sapiens) 		4 / 5 ARG P 217
ALA P 212
ASP P 211
GLU P 215
 None
None
NDG  P 602 (-3.9A)
None
 0.89A 2xrzA-1e33P:
0.8		 2xrzA-1e33P:
23.14
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.
2XYT_D_TC9D1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3nvq SEMAPHORIN-7A
(Homo
sapiens) 		4 / 8 TYR A 408
GLN A 304
ARG A 245
ASP A 432
 None
None
None
NDG  A   4 (-3.9A)
 1.13A 2xytE-3nvqA:
undetectable		 2xytE-3nvqA:
17.71
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.
2XYT_G_TC9G1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3nvq SEMAPHORIN-7A
(Homo
sapiens) 		4 / 8 TYR A 408
GLN A 304
ARG A 245
ASP A 432
 None
None
None
NDG  A   4 (-3.9A)
 1.08A 2xytH-3nvqA:
undetectable		 2xytH-3nvqA:
17.71
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.
3A27_A_SAMA250_0
(UNCHARACTERIZED
PROTEIN MJ1557)		 1wno CHITINASE
(Aspergillus
fumigatus) 		5 / 12 SER A 309
ASN A 225
ASP A 242
ARG A 245
TYR A 334
 None
NDG  A1042 (-2.4A)
None
None
None
 1.36A 3a27A-1wnoA:
undetectable		 3a27A-1wnoA:
20.05
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.
3A65_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 4xn3 TAIL SPIKE PROTEIN
(Salmonella
virus
HK620) 		5 / 12 TYR A 393
ASP A 339
ASN A 471
GLY A 468
ILE A 426
 NAG  A1006 (-3.4A)
NDG  A1005 (-3.0A)
NDG  A1005 (-3.3A)
GLC  A1007 (-3.2A)
None
 1.47A 3a65A-4xn3A:
undetectable		 3a65A-4xn3A:
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.
3AOB_C_RFPC2002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 4gvf BETA-HEXOSAMINIDASE
(Salmonella
enterica) 		5 / 12 GLN A  69
PHE A 117
ALA A 118
ARG A  67
GLY A  65
 None
NDG  A 401 ( 4.7A)
None
None
None
 1.20A 3aobC-4gvfA:
undetectable		 3aobC-4gvfA:
16.46
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.
3DLC_A_SAMA220_0
(PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE)		 4gvf BETA-HEXOSAMINIDASE
(Salmonella
enterica) 		5 / 12 GLY A 124
GLY A 169
ASP A 138
ARG A 133
SER A 134
 None
None
None
NDG  A 401 ( 2.8A)
None
 1.08A 3dlcA-4gvfA:
undetectable		 3dlcA-4gvfA:
20.70
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.
3FHJ_A_TRPA1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		5 / 10 GLY A 190
MET A 193
ASP A 192
ILE A  12
VAL A 187
 None
None
NDG  A 501 (-4.0A)
None
None
 1.36A 3fhjA-4kruA:
undetectable		 3fhjA-4kruA:
22.66
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.
3FHJ_B_TRPB1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		5 / 10 GLY A 190
MET A 193
ASP A 192
ILE A  12
VAL A 187
 None
None
NDG  A 501 (-4.0A)
None
None
 1.37A 3fhjB-4kruA:
undetectable		 3fhjB-4kruA:
22.66
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.
3FHJ_C_TRPC1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		5 / 10 GLY A 190
MET A 193
ASP A 192
ILE A  12
VAL A 187
 None
None
NDG  A 501 (-4.0A)
None
None
 1.36A 3fhjC-4kruA:
undetectable		 3fhjC-4kruA:
22.66
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.
3FHJ_D_TRPD1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		5 / 9 GLY A 190
MET A 193
ASP A 192
ILE A  12
VAL A 187
 None
None
NDG  A 501 (-4.0A)
None
None
 1.37A 3fhjD-4kruA:
2.0		 3fhjD-4kruA:
22.66
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.
3FHJ_E_TRPE1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		5 / 10 GLY A 190
MET A 193
ASP A 192
ILE A  12
VAL A 187
 None
None
NDG  A 501 (-4.0A)
None
None
 1.36A 3fhjE-4kruA:
undetectable		 3fhjE-4kruA:
22.66
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.
3FHJ_F_TRPF1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		5 / 9 GLY A 190
MET A 193
ASP A 192
ILE A  12
VAL A 187
 None
None
NDG  A 501 (-4.0A)
None
None
 1.37A 3fhjF-4kruA:
undetectable		 3fhjF-4kruA:
22.66
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.
3G1U_C_ADNC438_2
(ADENOSYLHOMOCYSTEINA
SE)		 4nz5 DEACETYLASE DA1
(Vibrio
cholerae) 		4 / 5 GLN A 125
THR A 187
HIS A 104
HIS A 124
 None
None
None
NDG  A 504 (-4.1A)
 1.11A 3g1uC-4nz5A:
undetectable		 3g1uC-4nz5A:
23.22
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
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.
3KO0_A_TFPA202_1
(PROTEIN S100-A4)		 3i2t EPIDERMAL GROWTH
FACTOR RECEPTOR,
ISOFORM A
(Drosophila
melanogaster) 		5 / 12 LEU A 416
ILE A 408
LEU A 437
ASP A 436
PHE A 381
 None
None
None
NDG  A4701 ( 3.1A)
None
 1.18A 3ko0A-3i2tA:
undetectable
3ko0B-3i2tA:
undetectable
3ko0C-3i2tA:
undetectable
3ko0D-3i2tA:
undetectable		 3ko0A-3i2tA:
11.34
3ko0B-3i2tA:
11.34
3ko0C-3i2tA:
11.34
3ko0D-3i2tA:
11.34
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.
3KO0_I_TFPI202_1
(PROTEIN S100-A4)		 3i2t EPIDERMAL GROWTH
FACTOR RECEPTOR,
ISOFORM A
(Drosophila
melanogaster) 		5 / 12 PHE A 381
LEU A 416
ILE A 408
LEU A 437
ASP A 436
 None
None
None
None
NDG  A4701 ( 3.1A)
 1.18A 3ko0G-3i2tA:
undetectable
3ko0H-3i2tA:
undetectable
3ko0I-3i2tA:
undetectable
3ko0J-3i2tA:
undetectable		 3ko0G-3i2tA:
11.34
3ko0H-3i2tA:
11.34
3ko0I-3i2tA:
11.34
3ko0J-3i2tA:
11.34
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.
3KO0_J_TFPJ202_1
(PROTEIN S100-A4)		 3i2t EPIDERMAL GROWTH
FACTOR RECEPTOR,
ISOFORM A
(Drosophila
melanogaster) 		5 / 11 PHE A 381
LEU A 437
ASP A 436
LEU A 416
ILE A 408
 None
None
NDG  A4701 ( 3.1A)
None
None
 1.19A 3ko0A-3i2tA:
undetectable
3ko0B-3i2tA:
undetectable
3ko0I-3i2tA:
undetectable
3ko0J-3i2tA:
undetectable		 3ko0A-3i2tA:
11.34
3ko0B-3i2tA:
11.34
3ko0I-3i2tA:
11.34
3ko0J-3i2tA:
11.34
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.
3KO0_K_TFPK202_1
(PROTEIN S100-A4)		 3i2t EPIDERMAL GROWTH
FACTOR RECEPTOR,
ISOFORM A
(Drosophila
melanogaster) 		5 / 12 LEU A 416
ILE A 408
LEU A 437
ASP A 436
PHE A 381
 None
None
None
NDG  A4701 ( 3.1A)
None
 1.11A 3ko0K-3i2tA:
undetectable
3ko0L-3i2tA:
undetectable
3ko0S-3i2tA:
undetectable
3ko0T-3i2tA:
undetectable		 3ko0K-3i2tA:
11.34
3ko0L-3i2tA:
11.34
3ko0S-3i2tA:
11.34
3ko0T-3i2tA:
11.34
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.
3KO0_L_TFPL202_1
(PROTEIN S100-A4)		 3i2t EPIDERMAL GROWTH
FACTOR RECEPTOR,
ISOFORM A
(Drosophila
melanogaster) 		5 / 12 LEU A 437
ASP A 436
LEU A 416
ILE A 408
PHE A 381
 None
NDG  A4701 ( 3.1A)
None
None
None
 1.20A 3ko0K-3i2tA:
undetectable
3ko0L-3i2tA:
undetectable
3ko0M-3i2tA:
undetectable
3ko0N-3i2tA:
undetectable		 3ko0K-3i2tA:
11.34
3ko0L-3i2tA:
11.34
3ko0M-3i2tA:
11.34
3ko0N-3i2tA:
11.34
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.
3KO0_M_TFPM202_1
(PROTEIN S100-A4)		 3i2t EPIDERMAL GROWTH
FACTOR RECEPTOR,
ISOFORM A
(Drosophila
melanogaster) 		5 / 12 LEU A 416
ILE A 408
LEU A 437
ASP A 436
PHE A 381
 None
None
None
NDG  A4701 ( 3.1A)
None
 1.14A 3ko0M-3i2tA:
undetectable
3ko0N-3i2tA:
undetectable
3ko0O-3i2tA:
undetectable
3ko0P-3i2tA:
undetectable		 3ko0M-3i2tA:
11.34
3ko0N-3i2tA:
11.34
3ko0O-3i2tA:
11.34
3ko0P-3i2tA:
11.34
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.
3KO0_P_TFPP202_1
(PROTEIN S100-A4)		 3i2t EPIDERMAL GROWTH
FACTOR RECEPTOR,
ISOFORM A
(Drosophila
melanogaster) 		5 / 12 PHE A 381
LEU A 437
ASP A 436
LEU A 416
ILE A 408
 None
None
NDG  A4701 ( 3.1A)
None
None
 1.12A 3ko0M-3i2tA:
undetectable
3ko0N-3i2tA:
undetectable
3ko0O-3i2tA:
undetectable
3ko0P-3i2tA:
undetectable		 3ko0M-3i2tA:
11.34
3ko0N-3i2tA:
11.34
3ko0O-3i2tA:
11.34
3ko0P-3i2tA:
11.34
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.
3M8P_A_65BA562_0
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H
P51 RT)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		5 / 11 VAL A 124
VAL A 133
TYR A  66
LEU A  86
TYR A  94
 None
None
NDG  A 501 (-3.9A)
None
None
 1.29A 3m8pA-4kruA:
undetectable
3m8pB-4kruA:
1.7		 3m8pA-4kruA:
17.22
3m8pB-4kruA:
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.
3MBG_C_ACTC800_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 4z2q LECTIN
(Athelia
rolfsii) 		3 / 3 ASP A  77
ARG A 101
ALA A 104
 NAG  A 203 ( 2.6A)
NDG  A 202 ( 3.9A)
NAG  A 203 ( 4.3A)
 0.79A 3mbgC-4z2qA:
undetectable		 3mbgC-4z2qA:
15.29
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.
3P97_A_SAMA263_0
(NON-STRUCTURAL
PROTEIN 5)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		6 / 12 GLY A  11
GLY A 175
TRP A 155
ASP A  29
ASP A  13
ILE A  12
 None
None
None
None
NDG  A 501 (-3.6A)
None
 1.39A 3p97A-4kruA:
undetectable		 3p97A-4kruA:
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.
3P97_C_SAMC263_0
(NON-STRUCTURAL
PROTEIN 5)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		6 / 12 GLY A  11
TRP A 155
ASP A  29
VAL A  31
ASP A  13
ILE A  12
 None
None
None
None
NDG  A 501 (-3.6A)
None
 1.47A 3p97C-4kruA:
undetectable		 3p97C-4kruA:
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 1n26 IL-6 RECEPTOR ALPHA
CHAIN
(Homo
sapiens) 		4 / 6 GLN A 153
TYR A 148
GLN A 147
SER A 152
 None
None
NDG  A 636 (-3.9A)
None
 1.04A 3peoG-1n26A:
undetectable		 3peoG-1n26A:
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.
3RAE_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 1pw5 NAGD PROTEIN,
PUTATIVE
(Thermotoga
maritima) 		3 / 4 SER A  26
GLY A 230
GLU A 235
 None
None
NDG  A 254 (-3.1A)
 0.60A 3raeA-1pw5A:
undetectable
3raeC-1pw5A:
undetectable		 3raeA-1pw5A:
20.24
3raeC-1pw5A:
23.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UGR_A_IMNA2001_2
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 3cql ENDOCHITINASE
(Carica
papaya) 		4 / 7 TYR A  96
GLU A 203
GLN A 118
PRO A 241
 None
NDG  A 244 (-3.3A)
NDG  A 244 (-3.9A)
None
 1.14A 3ugrA-3cqlA:
undetectable		 3ugrA-3cqlA:
19.82
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.
3UQ6_B_ADNB401_2
(ADENOSINE KINASE,
PUTATIVE)		 1tl2 PROTEIN
(TACHYLECTIN-2)
(Tachypleus
tridentatus) 		4 / 5 LEU A 109
GLY A 130
PHE A 137
ASN A 168
 None
NDG  A 239 (-3.0A)
None
NDG  A 239 (-3.5A)
 1.27A 3uq6B-1tl2A:
undetectable		 3uq6B-1tl2A:
17.25
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.
3WXO_A_NIZA802_1
(CATALASE-PEROXIDASE)		 4b8v EXTRACELLULAR
PROTEIN 6
(Passalora
fulva) 		4 / 8 LEU A  55
ILE A  57
GLY A  33
ILE A  34
 None
None
None
NDG  A1199 ( 4.6A)
 0.88A 3wxoA-4b8vA:
undetectable		 3wxoA-4b8vA:
15.93
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.
4CTJ_A_SAMA1263_0
(NON-STRUCTURAL
PROTEIN 5)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		6 / 12 GLY A  11
GLY A 175
TRP A 155
ASP A  29
ASP A  13
ILE A  12
 None
None
None
None
NDG  A 501 (-3.6A)
None
 1.40A 4ctjA-4kruA:
undetectable		 4ctjA-4kruA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTK_A_SAMA1263_0
(POLYPROTEIN)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		6 / 12 GLY A  11
GLY A 175
TRP A 155
ASP A  29
ASP A  13
ILE A  12
 None
None
None
None
NDG  A 501 (-3.6A)
None
 1.39A 4ctkA-4kruA:
undetectable		 4ctkA-4kruA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GBO_A_CUA301_0
(E7)		 3ry6 LOW AFFINITY
IMMUNOGLOBULIN GAMMA
FC REGION RECEPTOR
II-A
(Homo
sapiens) 		4 / 5 ALA C 144
HIS C 148
GLN C 125
TYR C 152
 None
NDG  C 200 (-4.5A)
None
None
 1.39A 4gboA-3ry6C:
undetectable		 4gboA-3ry6C:
24.67
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.
4JEC_B_478B401_3
(HIV-1 PROTEASE)		 1e33 ARYLSULFATASE A
(Homo
sapiens) 		3 / 3 ASP P 207
LEU P 117
VAL P  24
 None
NDG  P 602 (-4.9A)
None
 0.64A 4jecB-1e33P:
0.0		 4jecB-1e33P:
11.06
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.
4JUO_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA)		 1pw5 NAGD PROTEIN,
PUTATIVE
(Thermotoga
maritima) 		3 / 4 SER A  26
GLY A 230
GLU A 235
 None
None
NDG  A 254 (-3.1A)
 0.60A 4juoA-1pw5A:
undetectable
4juoC-1pw5A:
undetectable		 4juoA-1pw5A:
20.24
4juoC-1pw5A:
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.
4KF9_A_ACTA407_0
(GLUTATHIONE
S-TRANSFERASE
PROTEIN)		 5mb4 GLCNAC SPECIFIC
LECTIN
(Psathyrella) 		3 / 3 GLU A 191
ARG A 170
HIS A 171
 None
MLI  A 507 (-3.8A)
NDG  A 509 ( 3.9A)
 0.85A 4kf9A-5mb4A:
undetectable		 4kf9A-5mb4A:
23.94
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.
4M51_A_BEZA501_0
(AMIDOHYDROLASE
FAMILY PROTEIN)		 3ciy TOLL-LIKE RECEPTOR 3
(Mus
musculus) 		4 / 6 ILE A  45
ILE A  87
PHE A  71
LEU A  80
 NDG  A 724 (-4.3A)
None
None
None
 0.99A 4m51A-3ciyA:
undetectable		 4m51A-3ciyA:
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.
4MMD_A_29EA603_1
(TRANSPORTER)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 10 VAL A 546
TYR A 547
GLY A 599
SER A 630
GLY A 633
 None
SO4  A1769 ( 4.5A)
NDG  A1685 (-4.6A)
SO4  A1769 ( 3.0A)
None
 0.96A 4mmdA-2bucA:
undetectable		 4mmdA-2bucA:
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.
4MMD_B_29EB603_1
(TRANSPORTER)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 12 VAL A 546
TYR A 547
GLY A 599
SER A 630
GLY A 633
 None
SO4  A1769 ( 4.5A)
NDG  A1685 (-4.6A)
SO4  A1769 ( 3.0A)
None
 1.01A 4mmdB-2bucA:
undetectable		 4mmdB-2bucA:
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.
4QYQ_A_3CJA607_1
(LACTOPEROXIDASE)		 3cql ENDOCHITINASE
(Carica
papaya) 		3 / 3 GLN A 211
HIS A  66
ARG A 215
 None
NDG  A 244 (-3.9A)
NDG  A 244 (-4.4A)
 1.31A 4qyqA-3cqlA:
undetectable		 4qyqA-3cqlA:
17.31
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.
4QYQ_B_3CJB607_1
(LACTOPEROXIDASE)		 3cql ENDOCHITINASE
(Carica
papaya) 		3 / 3 GLN A 211
HIS A  66
ARG A 215
 None
NDG  A 244 (-3.9A)
NDG  A 244 (-4.4A)
 1.26A 4qyqB-3cqlA:
undetectable		 4qyqB-3cqlA:
17.31
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.
4XE5_A_OBNA1104_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 1pw5 NAGD PROTEIN,
PUTATIVE
(Thermotoga
maritima) 		5 / 12 ASP A 213
LEU A 210
GLY A 230
GLU A 235
PHE A 246
 SO4  A 302 ( 4.7A)
None
None
NDG  A 254 (-3.1A)
None
 1.28A 4xe5A-1pw5A:
6.8		 4xe5A-1pw5A:
14.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z90_E_4LEE401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 1q5a EP-CADHERIN
(Mus
musculus) 		4 / 7 THR A 407
THR A 425
LEU A 426
THR A 405
 NAG  A 808 (-2.2A)
NDG  A 811 (-2.2A)
None
NAG  A 808 ( 4.5A)
 0.65A 4z90A-1q5aA:
undetectable
4z90B-1q5aA:
undetectable
4z90C-1q5aA:
undetectable
4z90D-1q5aA:
undetectable
4z90E-1q5aA:
undetectable		 4z90A-1q5aA:
16.50
4z90B-1q5aA:
16.50
4z90C-1q5aA:
16.50
4z90D-1q5aA:
16.50
4z90E-1q5aA:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z91_F_4LEF401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 1q5a EP-CADHERIN
(Mus
musculus) 		4 / 7 THR A 405
THR A 407
THR A 425
LEU A 426
 NAG  A 808 ( 4.5A)
NAG  A 808 (-2.2A)
NDG  A 811 (-2.2A)
None
 0.96A 4z91F-1q5aA:
undetectable
4z91G-1q5aA:
undetectable
4z91H-1q5aA:
undetectable
4z91I-1q5aA:
undetectable
4z91J-1q5aA:
undetectable		 4z91F-1q5aA:
16.50
4z91G-1q5aA:
16.50
4z91H-1q5aA:
16.50
4z91I-1q5aA:
16.50
4z91J-1q5aA:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E9Q_A_SAMA301_0
(GENOME POLYPROTEIN)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		6 / 12 GLY A  11
GLY A 175
TRP A 155
ASP A  29
ASP A  13
ILE A  12
 None
None
None
None
NDG  A 501 (-3.6A)
None
 1.41A 5e9qA-4kruA:
undetectable		 5e9qA-4kruA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E9Q_C_SAMC4000_0
(GENOME POLYPROTEIN)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		6 / 12 GLY A  11
TRP A 155
ASP A  29
VAL A  31
ASP A  13
ILE A  12
 None
None
None
None
NDG  A 501 (-3.6A)
None
 1.50A 5e9qC-4kruA:
undetectable		 5e9qC-4kruA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EC8_C_SAMC4000_0
(GENOME POLYPROTEIN)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		6 / 12 GLY A  11
GLY A 175
TRP A 155
ASP A  29
ASP A  13
ILE A  12
 None
None
None
None
NDG  A 501 (-3.6A)
None
 1.45A 5ec8C-4kruA:
undetectable		 5ec8C-4kruA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EC8_C_SAMC4000_0
(GENOME POLYPROTEIN)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		6 / 12 GLY A  11
TRP A 155
ASP A  29
VAL A  31
ASP A  13
ILE A  12
 None
None
None
None
NDG  A 501 (-3.6A)
None
 1.44A 5ec8C-4kruA:
undetectable		 5ec8C-4kruA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		 4gvf BETA-HEXOSAMINIDASE
(Salmonella
enterica) 		5 / 12 PRO A 180
SER A 225
ASP A 122
HIS A 164
GLY A 169
 None
None
None
NDG  A 401 ( 3.6A)
None
 1.28A 5eenA-4gvfA:
undetectable		 5eenA-4gvfA:
22.93
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.
5EIF_A_SAMA301_0
(GENOME POLYPROTEIN)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		6 / 12 GLY A  11
GLY A 175
TRP A 155
ASP A  29
ASP A  13
ILE A  12
 None
None
None
None
NDG  A 501 (-3.6A)
None
 1.41A 5eifA-4kruA:
undetectable		 5eifA-4kruA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EIF_A_SAMA301_0
(GENOME POLYPROTEIN)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		6 / 12 GLY A  11
TRP A 155
ASP A  29
VAL A  31
ASP A  13
ILE A  12
 None
None
None
None
NDG  A 501 (-3.6A)
None
 1.41A 5eifA-4kruA:
undetectable		 5eifA-4kruA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EIF_C_SAMC4000_0
(GENOME POLYPROTEIN)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		6 / 12 GLY A  11
TRP A 155
ASP A  29
VAL A  31
ASP A  13
ILE A  12
 None
None
None
None
NDG  A 501 (-3.6A)
None
 1.49A 5eifC-4kruA:
undetectable		 5eifC-4kruA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EIW_C_SAMC4000_0
(NS5
METHYLTRANSFERASE)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		6 / 12 GLY A  11
GLY A 175
TRP A 155
ASP A  29
ASP A  13
ILE A  12
 None
None
None
None
NDG  A 501 (-3.6A)
None
 1.41A 5eiwC-4kruA:
undetectable		 5eiwC-4kruA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EIW_C_SAMC4000_0
(NS5
METHYLTRANSFERASE)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		6 / 12 GLY A  11
TRP A 155
ASP A  29
VAL A  31
ASP A  13
ILE A  12
 None
None
None
None
NDG  A 501 (-3.6A)
None
 1.38A 5eiwC-4kruA:
undetectable		 5eiwC-4kruA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FHZ_B_REAB602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 2h6o MAJOR OUTER ENVELOPE
GLYCOPROTEIN GP350
(Human
gammaherpesvirus
4) 		5 / 9 ILE A 115
GLY A  84
LEU A  61
LEU A 111
LEU A  91
 NDG  A1114 ( 4.7A)
None
None
None
None
 1.37A 5fhzB-2h6oA:
undetectable		 5fhzB-2h6oA:
20.28
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.
5G48_B_1FLB1375_1
(DNA POLYMERASE III
SUBUNIT BETA)		 1e33 ARYLSULFATASE A
(Homo
sapiens) 		5 / 9 LEU P 197
LEU P 145
PRO P 192
PRO P 136
MET P 120
 None
NDG  P 601 ( 4.9A)
None
None
None
 1.39A 5g48B-1e33P:
0.0		 5g48B-1e33P:
19.14
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.
5GWZ_D_010D6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
PEDV MAIN PROTEASE)		 3wfz LACTO-N-BIOSE
PHOSPHORYLASE
(Bifidobacterium
longum) 		3 / 3 MET A 345
HIS A 460
GLY A 335
 None
NDG  A4001 ( 4.0A)
None
 0.85A 5gwzB-3wfzA:
undetectable		 5gwzB-3wfzA:
17.53
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.
5KB5_A_ADNA401_2
(ADENOSINE KINASE)		 3a79 TOLL-LIKE RECEPTOR
6, VARIABLE
LYMPHOCYTE RECEPTOR
B
(Eptatretus
burgeri;
Mus
musculus) 		4 / 4 ASN B 387
LEU B 389
SER B 411
LEU B 408
 None
None
NDG  B 971 (-2.7A)
None
 1.08A 5kb5A-3a79B:
undetectable		 5kb5A-3a79B:
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.
5KQS_A_SAMA307_0
(GENOME POLYPROTEIN)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		6 / 12 GLY A  11
GLY A 175
TRP A 155
ASP A  29
ASP A  13
ILE A  12
 None
None
None
None
NDG  A 501 (-3.6A)
None
 1.47A 5kqsA-4kruA:
undetectable		 5kqsA-4kruA:
22.15
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.
5M6G_A_SORA711_0
(BETA-GLUCOSIDASE)		 4gvf BETA-HEXOSAMINIDASE
(Salmonella
enterica) 		5 / 12 ASP A  62
PHE A 117
LYS A 163
HIS A 164
MET A 210
 NDG  A 401 ( 3.0A)
NDG  A 401 ( 4.7A)
NDG  A 401 ( 2.9A)
NDG  A 401 ( 3.6A)
NDG  A 401 ( 4.3A)
 0.71A 5m6gA-4gvfA:
25.3		 5m6gA-4gvfA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_A_ACTA301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 4nz5 DEACETYLASE DA1
(Vibrio
cholerae) 		5 / 6 ASP A  39
ASP A  40
HIS A  97
HIS A 101
HIS A 295
 ACT  A 503 (-3.4A)
CD  A 502 ( 2.6A)
CD  A 502 ( 3.6A)
NDG  A 504 ( 3.4A)
ACT  A 503 (-4.5A)
 0.37A 5ncdA-4nz5A:
16.4
5ncdD-4nz5A:
16.5		 5ncdA-4nz5A:
20.36
5ncdD-4nz5A:
20.36
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.
5NCD_C_ACTC301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 4nz5 DEACETYLASE DA1
(Vibrio
cholerae) 		5 / 6 ASP A  39
ASP A  40
HIS A  97
HIS A 101
HIS A 295
 ACT  A 503 (-3.4A)
CD  A 502 ( 2.6A)
CD  A 502 ( 3.6A)
NDG  A 504 ( 3.4A)
ACT  A 503 (-4.5A)
 0.34A 5ncdB-4nz5A:
16.3
5ncdC-4nz5A:
16.4		 5ncdB-4nz5A:
20.36
5ncdC-4nz5A:
20.36
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.
5NCD_D_ACTD301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 4nz5 DEACETYLASE DA1
(Vibrio
cholerae) 		4 / 4 ASP A  39
HIS A  97
HIS A 101
HIS A 295
 ACT  A 503 (-3.4A)
CD  A 502 ( 3.6A)
NDG  A 504 ( 3.4A)
ACT  A 503 (-4.5A)
 0.25A 5ncdD-4nz5A:
16.5		 5ncdD-4nz5A:
20.36
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.
5NEK_B_AZMB302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 4nz5 DEACETYLASE DA1
(Vibrio
cholerae) 		6 / 8 ASP A  39
ASP A  40
HIS A  97
HIS A 101
PRO A 168
HIS A 295
 ACT  A 503 (-3.4A)
CD  A 502 ( 2.6A)
CD  A 502 ( 3.6A)
NDG  A 504 ( 3.4A)
ACT  A 503 (-4.5A)
ACT  A 503 (-4.5A)
 0.28A 5nekB-4nz5A:
16.4		 5nekB-4nz5A:
10.63
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.
5NEK_D_AZMD302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 4nz5 DEACETYLASE DA1
(Vibrio
cholerae) 		6 / 8 ASP A  39
ASP A  40
HIS A  97
HIS A 101
TRP A 229
HIS A 295
 ACT  A 503 (-3.4A)
CD  A 502 ( 2.6A)
CD  A 502 ( 3.6A)
NDG  A 504 ( 3.4A)
None
ACT  A 503 (-4.5A)
 0.36A 5nekD-4nz5A:
16.4		 5nekD-4nz5A:
10.63
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.
5NEL_A_ACTA302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 4nz5 DEACETYLASE DA1
(Vibrio
cholerae) 		5 / 6 ASP A  39
ASP A  40
HIS A  97
HIS A 101
HIS A 295
 ACT  A 503 (-3.4A)
CD  A 502 ( 2.6A)
CD  A 502 ( 3.6A)
NDG  A 504 ( 3.4A)
ACT  A 503 (-4.5A)
 0.42A 5nelA-4nz5A:
16.5
5nelD-4nz5A:
16.5		 5nelA-4nz5A:
20.36
5nelD-4nz5A:
20.36
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.
5NEL_C_ACTC302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 4nz5 DEACETYLASE DA1
(Vibrio
cholerae) 		5 / 6 ASP A  39
HIS A  97
HIS A 101
LEU A 293
HIS A 295
 ACT  A 503 (-3.4A)
CD  A 502 ( 3.6A)
NDG  A 504 ( 3.4A)
ACT  A 503 ( 4.9A)
ACT  A 503 (-4.5A)
 0.41A 5nelB-4nz5A:
16.3
5nelC-4nz5A:
16.5		 5nelB-4nz5A:
20.36
5nelC-4nz5A:
20.36
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.
5NOO_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 1tl2 PROTEIN
(TACHYLECTIN-2)
(Tachypleus
tridentatus) 		4 / 6 TYR A  11
ASP A  71
LEU A  34
GLY A  36
 None
None
None
NDG  A 237 (-3.0A)
 1.06A 5nooC-1tl2A:
undetectable		 5nooC-1tl2A:
16.98
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.
5O4Y_D_CCSD14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2
PROGRAMMED CELL
DEATH 1 LIGAND 1)		 5mb4 GLCNAC SPECIFIC
LECTIN
(Psathyrella) 		5 / 12 PHE A 215
TRP A 222
GLY A 218
GLY A 190
VAL A 194
 None
NAG  A 512 (-3.5A)
None
NDG  A 509 ( 3.4A)
None
 1.20A 5o4yD-5mb4A:
undetectable
5o4yE-5mb4A:
undetectable		 5o4yD-5mb4A:
4.40
5o4yE-5mb4A:
13.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5O96_A_SAMA501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 1q5a EP-CADHERIN
(Mus
musculus) 		5 / 11 LEU A 242
GLU A 303
SER A 243
THR A 301
ALA A 317
 None
NDG  A 804 ( 4.4A)
None
NAG  A 805 (-3.4A)
None
 0.83A 5o96A-1q5aA:
undetectable
5o96B-1q5aA:
undetectable		 5o96A-1q5aA:
14.27
5o96B-1q5aA:
14.27
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.
5V0I_A_TRPA402_0
(TRYPTOPHAN--TRNA
LIGASE)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		5 / 9 GLY A 190
MET A 193
ASP A 192
ILE A  12
VAL A 187
 None
None
NDG  A 501 (-4.0A)
None
None
 1.32A 5v0iA-4kruA:
undetectable		 5v0iA-4kruA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V0I_B_TRPB402_0
(TRYPTOPHAN--TRNA
LIGASE)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		5 / 9 GLY A 190
MET A 193
ASP A 192
ILE A  12
VAL A 187
 None
None
NDG  A 501 (-4.0A)
None
None
 1.35A 5v0iB-4kruA:
undetectable		 5v0iB-4kruA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_E_C2FE3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3a79 TOLL-LIKE RECEPTOR
6, VARIABLE
LYMPHOCYTE RECEPTOR
B
(Eptatretus
burgeri;
Mus
musculus) 		4 / 5 ASN B 363
ASN B 359
ASP B 409
ASN B 413
 None
NAG  B 951 (-1.7A)
NDG  B 971 ( 4.1A)
None
 1.43A 5vooE-3a79B:
2.1		 5vooE-3a79B:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y2T_A_8LXA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4nz5 DEACETYLASE DA1
(Vibrio
cholerae) 		3 / 3 SER A  98
HIS A 101
TYR A 169
 None
NDG  A 504 ( 3.4A)
None
 0.96A 5y2tA-4nz5A:
undetectable		 5y2tA-4nz5A:
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.
6AF6_A_GLYA507_0
(L-PROLYL-[PEPTIDYL-C
ARRIER PROTEIN]
DEHYDROGENASE)		 4xn3 TAIL SPIKE PROTEIN
(Salmonella
virus
HK620) 		3 / 3 TYR A 344
HIS A 397
MET A 396
 NAG  A1004 (-3.7A)
NDG  A1005 (-3.7A)
None
 1.17A 6af6A-4xn3A:
undetectable		 6af6A-4xn3A:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_A_ACRA609_0
(ALPHA-AMYLASE)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		4 / 7 GLY A 189
TRP A  17
ASP A  13
MET A 193
 None
None
NDG  A 501 (-3.6A)
None
 1.36A 6ag0A-4kruA:
5.6		 6ag0A-4kruA:
16.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_C_ACRC609_0
(ALPHA-AMYLASE)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		4 / 7 GLY A 189
TRP A  17
ASP A  13
MET A 193
 None
None
NDG  A 501 (-3.6A)
None
 1.39A 6ag0C-4kruA:
6.7		 6ag0C-4kruA:
16.02
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
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_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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BSI_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 4kru AUTOLYTIC LYSOZYME
(Clostridium
phage
phiSM101) 		5 / 10 VAL A 124
VAL A 133
TYR A  66
LEU A  86
TYR A  94
 None
None
NDG  A 501 (-3.9A)
None
None
 1.39A 6bsiA-4kruA:
undetectable		 6bsiA-4kruA:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWD_D_GLYD713_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 5mb4 GLCNAC SPECIFIC
LECTIN
(Psathyrella) 		3 / 3 ARG A 112
HIS A 116
ARG A 118
 None
NDG  A 515 ( 3.9A)
NA  A 502 (-3.3A)
 1.09A 6dwdD-5mb4A:
undetectable		 6dwdD-5mb4A:
21.87
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.
6DWD_D_GLYD713_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 5mb4 GLCNAC SPECIFIC
LECTIN
(Psathyrella) 		3 / 3 ARG A 167
HIS A 171
ARG A 173
 None
NDG  A 509 ( 3.9A)
None
 1.15A 6dwdD-5mb4A:
undetectable		 6dwdD-5mb4A:
21.87
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.
6F88_A_STRA502_1
(CYTOCHROME P450
CYP260A1)		 3wfz LACTO-N-BIOSE
PHOSPHORYLASE
(Bifidobacterium
longum) 		4 / 6 LEU A 462
ALA A 459
THR A 169
ASN A 166
 None
None
None
NDG  A4001 ( 4.6A)
 0.94A 6f88A-3wfzA:
undetectable		 6f88A-3wfzA:
8.41
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.
6MN4_D_AM2D301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 4nz5 DEACETYLASE DA1
(Vibrio
cholerae) 		4 / 8 ASP A  40
ARG A 304
HIS A 295
GLU A 300
 CD  A 502 ( 2.6A)
NDG  A 504 (-3.9A)
ACT  A 503 (-4.5A)
None
 1.11A 6mn4D-4nz5A:
undetectable		 6mn4D-4nz5A:
21.60