SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'IMD'


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.
1A27_A_ESTA350_1
(17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE)		 2qzc TRANSCRIPTIONAL
ACTIVATOR TENA-1
(Sulfolobus
solfataricus) 		5 / 12 VAL A  14
GLY A  15
ASN A  19
PHE A 191
GLU A 198
 None
None
None
None
IMD  A 214 (-2.7A)
 1.17A 1a27A-2qzcA:
undetectable		 1a27A-2qzcA:
22.59
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.
1A52_A_ESTA1_1
(ESTROGEN RECEPTOR)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 10 ALA A  11
GLU A  15
LEU A  28
ILE A 225
HIS A 154
 None
None
None
IMD  A 902 ( 4.3A)
IMD  A 902 (-3.9A)
 1.42A 1a52A-1gz5A:
undetectable		 1a52A-1gz5A:
19.78
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.
1A52_A_ESTA1_1
(ESTROGEN RECEPTOR)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 10 ALA A  11
GLU A  15
LEU A  28
ILE A 225
LEU A  23
 None
None
None
IMD  A 902 ( 4.3A)
G6P  A 901 ( 3.7A)
 1.47A 1a52A-1gz5A:
undetectable		 1a52A-1gz5A:
19.78
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.
1A52_B_ESTB2_1
(ESTROGEN RECEPTOR)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 10 ALA A  11
GLU A  15
LEU A  28
ILE A 225
HIS A 154
 None
None
None
IMD  A 902 ( 4.3A)
IMD  A 902 (-3.9A)
 1.44A 1a52B-1gz5A:
undetectable		 1a52B-1gz5A:
19.78
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.
1AL4_A_DVAA6_0
(GRAMICIDIN D)		 3cc1 PUTATIVE
ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bacillus
halodurans) 		4 / 5 ALA A  23
VAL A  25
TRP A  55
TRP A  18
 GOL  A 441 ( 3.7A)
None
None
IMD  A 437 (-3.4A)
 1.25A 1al4A-3cc1A:
undetectable
1al4B-3cc1A:
undetectable		 1al4A-3cc1A:
4.58
1al4B-3cc1A:
4.58
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.
1C4D_A_DVAA8_0
(GRAMICIDIN A)		 4kvl FATTY ACID
ALPHA-OXIDASE
(Oryza
sativa) 		3 / 3 VAL A 156
TRP A 151
TRP A 315
 IMD  A 705 ( 4.6A)
None
None
 1.47A 1c4dA-4kvlA:
undetectable
1c4dB-4kvlA:
undetectable		 1c4dA-4kvlA:
2.96
1c4dB-4kvlA:
2.96
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.
1D4F_B_ADNB602_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 2z3t CYTOCHROME P450
(Streptomyces
sp.
TP-A0274) 		4 / 5 THR A 187
THR A 188
GLU A 257
THR A 253
 None
None
IMD  A 501 (-3.5A)
None
 1.29A 1d4fB-2z3tA:
undetectable		 1d4fB-2z3tA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DTL_A_BEPA206_1
(CARDIAC TROPONIN C)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		4 / 8 GLN A 185
PRO A 224
GLU A 393
ASP A 361
 IMD  A 902 ( 4.7A)
None
None
UDP  A 900 ( 4.5A)
 1.17A 1dtlA-1gz5A:
undetectable		 1dtlA-1gz5A:
17.12
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.
1EA1_A_TPFA470_1
(CYTOCHROME P450
51-LIKE RV0764C)		 3mvu TENA FAMILY
TRANSCRIPTIONAL
REGULATOR
(Ruegeria
sp.
TM1040) 		4 / 8 TYR A  45
PHE A 218
MET A 221
THR A 108
 None
IMD  A 226 (-3.6A)
None
None
 1.28A 1ea1A-3mvuA:
undetectable		 1ea1A-3mvuA:
19.11
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.
1EI6_A_PPFA410_1
(PHOSPHONOACETATE
HYDROLASE)		 4me4 METAL DEPENDENT
PHOSPHOHYDROLASE
(Persephonella
marina) 		4 / 5 ASP A 222
HIS A 250
HIS A 221
HIS A 276
 FE  A 402 ( 2.5A)
FE  A 401 ( 3.4A)
IMD  A 407 (-3.6A)
FE  A 401 (-3.4A)
 1.05A 1ei6A-4me4A:
undetectable		 1ei6A-4me4A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FM6_X_BRLX504_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 3lah METHYL-ACCEPTING
CHEMOTAXIS PROTEIN
(Caldanaerobacter
subterraneus) 		5 / 12 PHE A 141
GLY A 143
SER A 148
LEU A 117
LEU A  95
 HEM  A 200 ( 4.9A)
None
HEM  A 200 ( 4.1A)
IMD  A 502 (-4.2A)
None
 1.29A 1fm6X-3lahA:
undetectable		 1fm6X-3lahA:
19.20
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.
1FSL_A_NIOA145_1
(LEGHEMOGLOBIN A)		 3c8l FTSZ-LIKE PROTEIN OF
UNKNOWN FUNCTION
(Nostoc
punctiforme) 		4 / 8 ILE A  55
PHE A  78
HIS A  49
VAL A 116
 IMD  A 125 ( 4.6A)
IMD  A 125 ( 4.6A)
None
None
 0.81A 1fslA-3c8lA:
undetectable		 1fslA-3c8lA:
20.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IKE_A_HSMA190_1
(NITROPHORIN 4)		 2asn NITROPHORIN 2
(Rhodnius
prolixus) 		3 / 3 ASP X  29
LEU X 122
LEU X 132
 None
IMD  X 202 ( 4.2A)
IMD  X 202 (-3.9A)
 0.33A 1ikeA-2asnX:
26.3		 1ikeA-2asnX:
47.80
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.
1IVV_A_DAHA382_1
(AMINE OXIDASE)		 1w7c LYSYL OXIDASE
(Komagataella
pastoris) 		8 / 10 TYR A 384
THR A 474
ASN A 477
ASP A 479
TYR A 480
HIS A 528
HIS A 530
HIS A 694
 TPQ  A 478 ( 4.7A)
TPQ  A 478 ( 3.7A)
IMD  A 821 (-2.7A)
TPQ  A 478 ( 3.8A)
TPQ  A 478 ( 3.9A)
CU  A 801 (-3.2A)
CU  A 801 (-3.2A)
CU  A 801 (-3.1A)
 0.66A 1ivvA-1w7cA:
37.1		 1ivvA-1w7cA:
25.16
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.
1IVV_B_DAHB382_1
(AMINE OXIDASE)		 1w7c LYSYL OXIDASE
(Komagataella
pastoris) 		8 / 10 TYR A 384
THR A 474
ASN A 477
ASP A 479
TYR A 480
HIS A 528
HIS A 530
HIS A 694
 TPQ  A 478 ( 4.7A)
TPQ  A 478 ( 3.7A)
IMD  A 821 (-2.7A)
TPQ  A 478 ( 3.8A)
TPQ  A 478 ( 3.9A)
CU  A 801 (-3.2A)
CU  A 801 (-3.2A)
CU  A 801 (-3.1A)
 0.70A 1ivvB-1w7cA:
36.9		 1ivvB-1w7cA:
25.16
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.
1IVV_B_DAHB382_1
(AMINE OXIDASE)		 3k9t PUTATIVE PEPTIDASE
(Clostridium
acetobutylicum) 		5 / 10 TYR A 323
ASP A 297
TYR A 186
HIS A 324
HIS A 189
 None
None
IMD  A 438 (-4.0A)
ZN  A 435 ( 3.2A)
ZN  A 435 ( 3.2A)
 1.32A 1ivvB-3k9tA:
undetectable		 1ivvB-3k9tA:
21.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J8U_A_H4BA429_1
(PHENYLALANINE-4-HYDR
OXYLASE)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		5 / 7 VAL A 278
LEU A 282
PHE A 287
LEU A 288
ALA A 355
 None
None
IMD  A 600 ( 4.4A)
None
None
 0.25A 1j8uA-4v06A:
48.0		 1j8uA-4v06A:
61.29
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.
1JDV_A_ADNA1260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 6g7x -
(-) 		5 / 10 ARG A  87
THR A  90
GLU A 179
MET A 180
GLU A 181
 PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.32A 1jdvA-6g7xA:
34.7
1jdvD-6g7xA:
34.7		 1jdvA-6g7xA:
undetectable
1jdvD-6g7xA:
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.
1JDV_B_ADNB2260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 6g7x -
(-) 		5 / 10 ARG A  87
THR A  90
GLU A 179
MET A 180
GLU A 181
 PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.29A 1jdvB-6g7xA:
34.6
1jdvC-6g7xA:
35.5		 1jdvB-6g7xA:
undetectable
1jdvC-6g7xA:
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.
1JDV_B_ADNB2260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 6g7x -
(-) 		5 / 10 ARG A  87
THR A  90
MET A 180
GLU A 181
ASP A 204
 PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.95A 1jdvB-6g7xA:
34.6
1jdvC-6g7xA:
35.5		 1jdvB-6g7xA:
undetectable
1jdvC-6g7xA:
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.
1JDV_D_ADND3260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 6g7x -
(-) 		5 / 10 ARG A  87
THR A  90
GLU A 179
MET A 180
GLU A 181
 PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.33A 1jdvA-6g7xA:
34.7
1jdvD-6g7xA:
34.7		 1jdvA-6g7xA:
undetectable
1jdvD-6g7xA:
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.
1JDV_E_ADNE4260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 6g7x -
(-) 		5 / 12 ARG A  87
GLY A  92
GLU A 179
SER A 203
ARG A  24
 PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
None
PO4  A 304 (-3.0A)
 1.46A 1jdvE-6g7xA:
34.6
1jdvF-6g7xA:
35.5		 1jdvE-6g7xA:
undetectable
1jdvF-6g7xA:
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.
1JDV_E_ADNE4260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 6g7x -
(-) 		7 / 12 ARG A  87
THR A  90
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.45A 1jdvE-6g7xA:
34.6
1jdvF-6g7xA:
35.5		 1jdvE-6g7xA:
undetectable
1jdvF-6g7xA:
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.
1K1Y_A_ACRA660_1
(4-ALPHA-GLUCANOTRANS
FERASE)		 2qzc TRANSCRIPTIONAL
ACTIVATOR TENA-1
(Sulfolobus
solfataricus) 		5 / 12 HIS A  88
TYR A 114
ASP A  47
TYR A 140
GLU A 198
 None
IMD  A 214 ( 4.9A)
GOL  A 215 ( 3.1A)
GOL  A 215 ( 3.5A)
IMD  A 214 (-2.7A)
 1.48A 1k1yA-2qzcA:
0.5		 1k1yA-2qzcA:
17.40
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.
1KGL_A_RTLA175_0
(CELLULAR
RETINOL-BINDING
PROTEIN TYPE I)		 1wkq GUANINE DEAMINASE
(Bacillus
subtilis) 		5 / 12 ALA A  14
LYS A  61
PHE A  26
GLY A  23
ILE A  22
 None
None
IMD  A1301 (-3.3A)
None
None
 1.27A 1kglA-1wkqA:
undetectable		 1kglA-1wkqA:
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.
1KIA_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5u2w SHORT CHAIN
DEHYDROGENASE
(Burkholderia
cenocepacia) 		6 / 12 TYR A 155
ILE A  18
GLY A 140
ALA A 160
SER A 158
GLY A 186
 IMD  A 304 ( 4.3A)
NAP  A 301 (-4.0A)
None
None
None
NAP  A 301 (-4.7A)
 1.19A 1kiaA-5u2wA:
7.4		 1kiaA-5u2wA:
21.12
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.
1KIA_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5u2w SHORT CHAIN
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 12 TYR A 155
ILE A  18
GLY A 140
ALA A 160
GLY A 186
 IMD  A 304 ( 4.3A)
NAP  A 301 (-4.0A)
None
None
NAP  A 301 (-4.7A)
 1.08A 1kiaB-5u2wA:
5.8		 1kiaB-5u2wA:
21.12
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.
1KIA_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5u2w SHORT CHAIN
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 12 TYR A 155
ILE A  18
GLY A 140
ALA A 160
GLY A 186
 IMD  A 304 ( 4.3A)
NAP  A 301 (-4.0A)
None
None
NAP  A 301 (-4.7A)
 1.08A 1kiaC-5u2wA:
7.3		 1kiaC-5u2wA:
21.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1KW0_A_H4BA429_1
(PHENYLALANINE-4-HYDR
OXYLASE)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		6 / 12 VAL A 278
LEU A 282
PHE A 287
LEU A 288
THR A 299
TYR A 358
 None
None
IMD  A 600 ( 4.4A)
None
None
None
 0.96A 1kw0A-4v06A:
41.7		 1kw0A-4v06A:
61.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1KW0_A_H4BA429_1
(PHENYLALANINE-4-HYDR
OXYLASE)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		7 / 12 VAL A 278
PHE A 287
LEU A 288
THR A 299
GLU A 319
HIS A 323
TYR A 358
 None
IMD  A 600 ( 4.4A)
None
None
IMD  A 600 (-3.3A)
FE  A1491 ( 3.3A)
None
 0.97A 1kw0A-4v06A:
41.7		 1kw0A-4v06A:
61.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1KW0_A_H4BA429_1
(PHENYLALANINE-4-HYDR
OXYLASE)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		7 / 12 VAL A 278
PHE A 287
THR A 299
GLU A 319
HIS A 323
TYR A 358
GLU A 363
 None
IMD  A 600 ( 4.4A)
None
IMD  A 600 (-3.3A)
FE  A1491 ( 3.3A)
None
FE  A1491 ( 2.0A)
 0.98A 1kw0A-4v06A:
41.7		 1kw0A-4v06A:
61.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MMK_A_H4BA1427_1
(PHENYLALANINE-4-HYDR
OXYLASE)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		7 / 12 VAL A 278
LEU A 282
PHE A 287
GLU A 319
HIS A 323
TYR A 358
GLU A 363
 None
None
IMD  A 600 ( 4.4A)
IMD  A 600 (-3.3A)
FE  A1491 ( 3.3A)
None
FE  A1491 ( 2.0A)
 1.09A 1mmkA-4v06A:
41.8		 1mmkA-4v06A:
61.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MMK_A_H4BA1427_1
(PHENYLALANINE-4-HYDR
OXYLASE)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		7 / 12 VAL A 278
LEU A 282
PHE A 287
LEU A 288
GLU A 319
HIS A 323
TYR A 358
 None
None
IMD  A 600 ( 4.4A)
None
IMD  A 600 (-3.3A)
FE  A1491 ( 3.3A)
None
 0.99A 1mmkA-4v06A:
41.8		 1mmkA-4v06A:
61.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MMT_A_H4BA1426_1
(PHENYLALANINE-4-HYDR
OXYLASE)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		7 / 11 VAL A 278
LEU A 282
PHE A 287
LEU A 288
THR A 299
HIS A 323
TYR A 358
 None
None
IMD  A 600 ( 4.4A)
None
None
FE  A1491 ( 3.3A)
None
 0.93A 1mmtA-4v06A:
41.7		 1mmtA-4v06A:
61.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MMT_A_H4BA1426_1
(PHENYLALANINE-4-HYDR
OXYLASE)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		7 / 11 VAL A 278
LEU A 282
PHE A 287
THR A 299
HIS A 323
TYR A 358
GLU A 363
 None
None
IMD  A 600 ( 4.4A)
None
FE  A1491 ( 3.3A)
None
FE  A1491 ( 2.0A)
 1.03A 1mmtA-4v06A:
41.7		 1mmtA-4v06A:
61.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MMT_A_H4BA1426_1
(PHENYLALANINE-4-HYDR
OXYLASE)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		7 / 11 VAL A 278
PHE A 287
LEU A 288
THR A 299
GLU A 319
HIS A 323
TYR A 358
 None
IMD  A 600 ( 4.4A)
None
None
IMD  A 600 (-3.3A)
FE  A1491 ( 3.3A)
None
 0.87A 1mmtA-4v06A:
41.7		 1mmtA-4v06A:
61.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MMT_A_H4BA1426_1
(PHENYLALANINE-4-HYDR
OXYLASE)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		7 / 11 VAL A 278
PHE A 287
THR A 299
GLU A 319
HIS A 323
TYR A 358
GLU A 363
 None
IMD  A 600 ( 4.4A)
None
IMD  A 600 (-3.3A)
FE  A1491 ( 3.3A)
None
FE  A1491 ( 2.0A)
 0.91A 1mmtA-4v06A:
41.7		 1mmtA-4v06A:
61.29
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.
1MUI_B_AB1B100_2
(PROTEASE)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 12 GLY A 389
ALA A 390
ILE A 434
GLY A 226
ILE A 225
 None
None
None
None
IMD  A 902 ( 4.3A)
 0.84A 1muiB-1gz5A:
undetectable		 1muiB-1gz5A:
15.85
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.
1N2X_A_SAMA401_1
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 4hhr ALPHA-DIOXYGENASE
(Arabidopsis
thaliana) 		4 / 4 HIS A 163
ASP A 220
SER A 107
ASP A 264
 IMD  A 702 (-3.7A)
CA  A 703 (-2.9A)
None
None
 1.45A 1n2xA-4hhrA:
undetectable		 1n2xA-4hhrA:
19.10
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.
1N2X_A_SAMA401_1
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 4kvl FATTY ACID
ALPHA-OXIDASE
(Oryza
sativa) 		4 / 4 HIS A 157
ASP A 214
SER A 101
ASP A 257
 IMD  A 705 (-3.8A)
CA  A 703 (-2.9A)
None
None
 1.39A 1n2xA-4kvlA:
undetectable		 1n2xA-4kvlA:
19.20
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.
1N49_B_RITB301_2
(PROTEASE)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 11 GLY A 389
ALA A 390
ILE A 434
GLY A 226
ILE A 225
 None
None
None
None
IMD  A 902 ( 4.3A)
 0.79A 1n49B-1gz5A:
undetectable		 1n49B-1gz5A:
12.36
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.
1N49_D_RITD401_1
(PROTEASE)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 11 GLY A 389
ALA A 390
ILE A 434
GLY A 226
ILE A 225
 None
None
None
None
IMD  A 902 ( 4.3A)
 0.80A 1n49C-1gz5A:
undetectable		 1n49C-1gz5A:
12.36
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.
1NBH_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5u2w SHORT CHAIN
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 12 TYR A 155
ILE A  18
GLY A 140
ALA A 160
SER A 158
 IMD  A 304 ( 4.3A)
NAP  A 301 (-4.0A)
None
None
None
 1.20A 1nbhA-5u2wA:
6.8		 1nbhA-5u2wA:
21.12
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.
1NBH_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5u2w SHORT CHAIN
DEHYDROGENASE
(Burkholderia
cenocepacia) 		6 / 12 TYR A 155
ILE A  18
GLY A 140
ALA A 160
SER A 158
GLY A 186
 IMD  A 304 ( 4.3A)
NAP  A 301 (-4.0A)
None
None
None
NAP  A 301 (-4.7A)
 1.22A 1nbhB-5u2wA:
6.5		 1nbhB-5u2wA:
21.12
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.
1NBH_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 3l07 BIFUNCTIONAL PROTEIN
FOLD
(Francisella
tularensis) 		5 / 12 ILE A 231
GLY A 260
VAL A 257
ASP A 228
SER A  10
 IMD  A 503 ( 4.6A)
None
None
None
None
 1.20A 1nbhC-3l07A:
undetectable		 1nbhC-3l07A:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5u2w SHORT CHAIN
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 12 TYR A 155
ILE A  18
GLY A 140
ALA A 160
SER A 158
 IMD  A 304 ( 4.3A)
NAP  A 301 (-4.0A)
None
None
None
 1.21A 1nbhC-5u2wA:
5.9		 1nbhC-5u2wA:
21.12
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.
1NBH_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5u2w SHORT CHAIN
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 12 TYR A 155
ILE A  18
GLY A 140
ALA A 160
SER A 158
 IMD  A 304 ( 4.3A)
NAP  A 301 (-4.0A)
None
None
None
 1.21A 1nbhD-5u2wA:
5.9		 1nbhD-5u2wA:
21.12
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.
1NBI_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5u2w SHORT CHAIN
DEHYDROGENASE
(Burkholderia
cenocepacia) 		6 / 12 TYR A 155
ILE A  18
GLY A 140
ALA A 160
SER A 158
GLY A 186
 IMD  A 304 ( 4.3A)
NAP  A 301 (-4.0A)
None
None
None
NAP  A 301 (-4.7A)
 1.23A 1nbiA-5u2wA:
6.4		 1nbiA-5u2wA:
20.79
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.
1NBI_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5u2w SHORT CHAIN
DEHYDROGENASE
(Burkholderia
cenocepacia) 		6 / 12 TYR A 155
ILE A  18
GLY A 140
ALA A 160
SER A 158
GLY A 186
 IMD  A 304 ( 4.3A)
NAP  A 301 (-4.0A)
None
None
None
NAP  A 301 (-4.7A)
 1.22A 1nbiB-5u2wA:
7.1		 1nbiB-5u2wA:
20.79
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.
1NBI_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5u2w SHORT CHAIN
DEHYDROGENASE
(Burkholderia
cenocepacia) 		6 / 12 TYR A 155
GLY A 140
THR A 139
ALA A 160
SER A 158
GLY A 186
 IMD  A 304 ( 4.3A)
None
NAP  A 301 ( 3.8A)
None
None
NAP  A 301 (-4.7A)
 1.29A 1nbiC-5u2wA:
5.5		 1nbiC-5u2wA:
20.79
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.
1NBI_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 5u2w SHORT CHAIN
DEHYDROGENASE
(Burkholderia
cenocepacia) 		6 / 12 TYR A 155
GLY A 140
THR A 139
ALA A 160
SER A 158
GLY A 186
 IMD  A 304 ( 4.3A)
None
NAP  A 301 ( 3.8A)
None
None
NAP  A 301 (-4.7A)
 1.28A 1nbiD-5u2wA:
5.5		 1nbiD-5u2wA:
20.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1NP1_B_HSMB304_1
(NITROPHORIN 1)		 2asn NITROPHORIN 2
(Rhodnius
prolixus) 		3 / 3 ASP X  29
LEU X 122
LEU X 132
 None
IMD  X 202 ( 4.2A)
IMD  X 202 (-3.9A)
 0.34A 1np1B-2asnX:
27.0		 1np1B-2asnX:
46.15
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.
1NV8_A_SAMA300_0
(HEMK PROTEIN)		 3lah METHYL-ACCEPTING
CHEMOTAXIS PROTEIN
(Caldanaerobacter
subterraneus) 		5 / 12 THR A  12
GLY A 147
GLY A 143
PHE A 152
ASN A  74
 None
None
None
None
IMD  A 501 ( 4.6A)
 1.06A 1nv8A-3lahA:
2.5		 1nv8A-3lahA:
24.13
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.
1ODI_A_ADNA1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 11 ARG A  87
THR A  90
GLY A  92
GLU A 179
GLU A 181
ILE A  94
 PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
PO4  A 304 ( 4.7A)
None
 1.33A 1odiA-6g7xA:
25.3		 1odiA-6g7xA:
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.
1ODI_A_ADNA1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		8 / 11 MET A  64
ARG A  87
THR A  90
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.60A 1odiA-6g7xA:
25.3		 1odiA-6g7xA:
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.
1ODI_A_ADNA1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		5 / 11 MET A 180
ARG A  87
THR A  90
GLU A 181
SER A 203
 IMD  A 302 (-4.6A)
PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
PO4  A 304 ( 4.7A)
None
 1.48A 1odiA-6g7xA:
25.3		 1odiA-6g7xA:
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.
1ODI_B_ADNB1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 11 ARG A  87
THR A  90
GLY A  92
GLU A 179
GLU A 181
ILE A  94
 PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
PO4  A 304 ( 4.7A)
None
 1.30A 1odiB-6g7xA:
35.8		 1odiB-6g7xA:
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.
1ODI_B_ADNB1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		8 / 11 MET A  64
ARG A  87
THR A  90
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.57A 1odiB-6g7xA:
35.8		 1odiB-6g7xA:
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.
1ODI_B_ADNB1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		5 / 11 MET A 180
ARG A  87
THR A  90
GLU A 181
SER A 203
 IMD  A 302 (-4.6A)
PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
PO4  A 304 ( 4.7A)
None
 1.49A 1odiB-6g7xA:
35.8		 1odiB-6g7xA:
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.
1ODI_C_ADNC1238_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 11 ARG A  87
THR A  90
GLY A  92
GLU A 179
GLU A 181
ILE A  94
 PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
PO4  A 304 ( 4.7A)
None
 1.29A 1odiC-6g7xA:
36.0		 1odiC-6g7xA:
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.
1ODI_C_ADNC1238_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		8 / 11 MET A  64
ARG A  87
THR A  90
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.62A 1odiC-6g7xA:
36.0		 1odiC-6g7xA:
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.
1ODI_D_ADND1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 11 ARG A  87
THR A  90
GLY A  92
GLU A 179
GLU A 181
ILE A  94
 PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
PO4  A 304 ( 4.7A)
None
 1.33A 1odiD-6g7xA:
35.9		 1odiD-6g7xA:
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.
1ODI_D_ADND1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		8 / 11 MET A  64
ARG A  87
THR A  90
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.59A 1odiD-6g7xA:
35.9		 1odiD-6g7xA:
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.
1ODI_E_ADNE1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 11 ARG A  87
THR A  90
GLY A  92
GLU A 179
GLU A 181
ILE A  94
 PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
PO4  A 304 ( 4.7A)
None
 1.31A 1odiE-6g7xA:
35.8		 1odiE-6g7xA:
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.
1ODI_E_ADNE1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		8 / 11 MET A  64
ARG A  87
THR A  90
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.53A 1odiE-6g7xA:
35.8		 1odiE-6g7xA:
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.
1ODI_F_ADNF1238_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 11 ARG A  87
THR A  90
GLY A  92
GLU A 179
GLU A 181
ILE A  94
 PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
PO4  A 304 ( 4.7A)
None
 1.34A 1odiF-6g7xA:
35.9		 1odiF-6g7xA:
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.
1ODI_F_ADNF1238_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		8 / 11 MET A  64
ARG A  87
THR A  90
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.58A 1odiF-6g7xA:
35.9		 1odiF-6g7xA:
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.
1ODI_F_ADNF1238_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		5 / 11 MET A 180
ARG A  87
THR A  90
GLU A 181
SER A 203
 IMD  A 302 (-4.6A)
PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
PO4  A 304 ( 4.7A)
None
 1.50A 1odiF-6g7xA:
35.9		 1odiF-6g7xA:
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.
1P7L_C_SAMC685_1
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 3fvb BACTERIOFERRITIN
(Brucella
abortus) 		4 / 8 ALA A  97
GLU A 127
ASP A 132
ILE A 131
 IMD  A 171 (-3.4A)
FE  A 164 ( 2.5A)
None
None
 0.87A 1p7lD-3fvbA:
undetectable		 1p7lD-3fvbA:
18.18
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.
1P7L_C_SAMC885_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 3fvb BACTERIOFERRITIN
(Brucella
abortus) 		4 / 8 ALA A  97
GLU A 127
ASP A 132
ILE A 131
 IMD  A 171 (-3.4A)
FE  A 164 ( 2.5A)
None
None
 0.89A 1p7lC-3fvbA:
undetectable		 1p7lC-3fvbA:
18.18
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.
1PK7_A_ADNA1245_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		7 / 9 MET A  64
ARG A  87
GLU A 179
MET A 180
GLU A 181
SER A 203
ASP A 204
 None
PO4  A 304 ( 4.4A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
None
 0.82A 1pk7A-6g7xA:
38.1		 1pk7A-6g7xA:
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.
1PK7_A_ADNA1245_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		7 / 9 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.48A 1pk7A-6g7xA:
38.1		 1pk7A-6g7xA:
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.
1PK7_C_ADNC1247_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		7 / 10 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.61A 1pk7C-6g7xA:
39.0		 1pk7C-6g7xA:
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.
1PK9_A_2FAA306_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		7 / 10 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.47A 1pk9A-6g7xA:
38.0		 1pk9A-6g7xA:
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.
1PK9_B_2FAB307_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		7 / 9 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.51A 1pk9B-6g7xA:
38.3		 1pk9B-6g7xA:
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.
1PK9_B_2FAB307_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 9 MET A  64
ARG A  87
MET A 180
GLU A 181
SER A 203
ASP A 204
 None
PO4  A 304 ( 4.4A)
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
None
 0.92A 1pk9B-6g7xA:
38.3		 1pk9B-6g7xA:
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.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 11 ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
ILE A  94
 PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 1.36A 1pk9C-6g7xA:
38.0		 1pk9C-6g7xA:
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.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		7 / 11 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.57A 1pk9C-6g7xA:
38.0		 1pk9C-6g7xA:
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.
1PW7_A_RABA645_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 10 ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
ILE A  94
 PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 1.50A 1pw7A-6g7xA:
38.1		 1pw7A-6g7xA:
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.
1PW7_A_RABA645_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		7 / 10 MET A  64
ARG A  87
GLU A 179
MET A 180
GLU A 181
SER A 203
ASP A 204
 None
PO4  A 304 ( 4.4A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
None
 0.86A 1pw7A-6g7xA:
38.1		 1pw7A-6g7xA:
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.
1PW7_A_RABA645_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		7 / 10 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.51A 1pw7A-6g7xA:
38.1		 1pw7A-6g7xA:
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.
1PW7_B_RABB646_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 9 ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
ILE A  94
 PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 1.41A 1pw7B-6g7xA:
38.9		 1pw7B-6g7xA:
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.
1PW7_B_RABB646_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 9 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.41A 1pw7B-6g7xA:
38.9		 1pw7B-6g7xA:
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.
1PW7_C_RABC647_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 9 MET A  64
GLU A 179
MET A 180
GLU A 181
SER A 203
ASP A 204
 None
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
None
 0.91A 1pw7C-6g7xA:
39.0		 1pw7C-6g7xA:
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.
1Q13_A_TESA501_1
(PROSTAGLANDIN-E2
9-REDUCTASE)		 2qzc TRANSCRIPTIONAL
ACTIVATOR TENA-1
(Sulfolobus
solfataricus) 		4 / 6 TYR A 140
TYR A 162
HIS A  88
GLU A 198
 GOL  A 215 ( 3.5A)
GOL  A 215 (-4.7A)
None
IMD  A 214 (-2.7A)
 1.24A 1q13A-2qzcA:
undetectable		 1q13A-2qzcA:
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.
1Q6I_A_FK5A301_1
(FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA)		 3no6 TRANSCRIPTIONAL
ACTIVATOR TENA
(Staphylococcus
epidermidis) 		5 / 9 TYR A  40
ASP A  44
LEU A  89
ILE A 144
PHE A 212
 None
IMD  A 300 (-3.3A)
None
None
None
 1.33A 1q6iA-3no6A:
undetectable		 1q6iA-3no6A:
22.73
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.
1QKU_A_ESTA600_1
(ESTRADIOL RECEPTOR)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 10 ALA A  11
GLU A  15
LEU A  28
ILE A 225
HIS A 154
 None
None
None
IMD  A 902 ( 4.3A)
IMD  A 902 (-3.9A)
 1.31A 1qkuA-1gz5A:
0.0		 1qkuA-1gz5A:
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.
1QKU_B_ESTB600_1
(ESTRADIOL RECEPTOR)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 10 ALA A  11
GLU A  15
LEU A  28
ILE A 225
HIS A 154
 None
None
None
IMD  A 902 ( 4.3A)
IMD  A 902 (-3.9A)
 1.32A 1qkuB-1gz5A:
undetectable		 1qkuB-1gz5A:
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.
1QKU_C_ESTC600_1
(ESTRADIOL RECEPTOR)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 10 ALA A  11
GLU A  15
LEU A  28
ILE A 225
HIS A 154
 None
None
None
IMD  A 902 ( 4.3A)
IMD  A 902 (-3.9A)
 1.31A 1qkuC-1gz5A:
undetectable		 1qkuC-1gz5A:
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.
1QVU_A_PRLA196_0
(TRANSCRIPTIONAL
REGULATOR QACR)		 3soy NTF2-LIKE
SUPERFAMILY PROTEIN
(Salmonella
enterica) 		4 / 6 GLU A 149
TRP A 130
THR A 145
TYR A  96
 IMD  A 182 (-3.2A)
IMD  A 182 ( 3.8A)
None
None
 1.43A 1qvuA-3soyA:
undetectable		 1qvuA-3soyA:
21.00
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.
1QZZ_A_SAMA635_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		5 / 12 GLY A1344
GLY A1345
GLY A1347
PHE A1340
ASN A1500
 IMD  A2009 (-4.1A)
None
IMD  A2009 (-3.5A)
None
IMD  A2010 (-3.7A)
 0.86A 1qzzA-3u9wA:
undetectable		 1qzzA-3u9wA:
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.
1RG9_A_SAMA385_1
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 3fvb BACTERIOFERRITIN
(Brucella
abortus) 		4 / 8 ALA A  97
GLU A 127
ASP A 132
ILE A 131
 IMD  A 171 (-3.4A)
FE  A 164 ( 2.5A)
None
None
 0.87A 1rg9B-3fvbA:
undetectable		 1rg9B-3fvbA:
18.18
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.
1RG9_B_SAMB485_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 3fvb BACTERIOFERRITIN
(Brucella
abortus) 		4 / 8 ALA A  97
GLU A 127
ASP A 132
ILE A 131
 IMD  A 171 (-3.4A)
FE  A 164 ( 2.5A)
None
None
 0.87A 1rg9A-3fvbA:
undetectable		 1rg9A-3fvbA:
18.18
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.
1RG9_C_SAMC585_1
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 3fvb BACTERIOFERRITIN
(Brucella
abortus) 		4 / 8 ALA A  97
GLU A 127
ASP A 132
ILE A 131
 IMD  A 171 (-3.4A)
FE  A 164 ( 2.5A)
None
None
 0.86A 1rg9D-3fvbA:
undetectable		 1rg9D-3fvbA:
18.18
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.
1RG9_C_SAMC685_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 3fvb BACTERIOFERRITIN
(Brucella
abortus) 		4 / 8 ALA A  97
GLU A 127
ASP A 132
ILE A 131
 IMD  A 171 (-3.4A)
FE  A 164 ( 2.5A)
None
None
 0.88A 1rg9C-3fvbA:
undetectable		 1rg9C-3fvbA:
18.18
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.
1RNR_A_DAHA208_1
(RIBONUCLEOTIDE
REDUCTASE R1 PROTEIN)		 3fvb BACTERIOFERRITIN
(Brucella
abortus) 		5 / 11 GLU A  51
HIS A  54
GLU A  94
SER A 100
GLU A 127
 FE  A 164 ( 2.9A)
FE  A 164 (-3.3A)
IMD  A 171 (-3.2A)
None
FE  A 164 ( 2.5A)
 0.93A 1rnrA-3fvbA:
8.0		 1rnrA-3fvbA:
18.59
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.
1RNR_B_DAHB208_1
(RIBONUCLEOTIDE
REDUCTASE R1 PROTEIN)		 3fvb BACTERIOFERRITIN
(Brucella
abortus) 		5 / 12 GLU A  51
HIS A  54
GLU A  94
SER A 100
GLU A 127
 FE  A 164 ( 2.9A)
FE  A 164 (-3.3A)
IMD  A 171 (-3.2A)
None
FE  A 164 ( 2.5A)
 0.98A 1rnrB-3fvbA:
9.0		 1rnrB-3fvbA:
18.59
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.
1SGU_B_MK1B2632_2
(POL POLYPROTEIN)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 12 GLY A 389
ALA A 390
ILE A 434
GLY A 226
ILE A 225
 None
None
None
None
IMD  A 902 ( 4.3A)
 0.80A 1sguB-1gz5A:
undetectable		 1sguB-1gz5A:
15.50
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.
1T3R_A_017A1200_1
(PROTEASE RETROPEPSIN)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 10 GLY A 389
ALA A 390
ILE A 434
GLY A 226
ILE A 225
 None
None
None
None
IMD  A 902 ( 4.3A)
 0.78A 1t3rA-1gz5A:
undetectable		 1t3rA-1gz5A:
11.72
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.
1T7I_A_017A200_1
(POL POLYPROTEIN)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 10 GLY A 389
ALA A 390
ILE A 434
GLY A 226
ILE A 225
 None
None
None
None
IMD  A 902 ( 4.3A)
 0.82A 1t7iA-1gz5A:
undetectable		 1t7iA-1gz5A:
11.49
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.
1T9U_A_CPFA5002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 3dkq PKHD-TYPE
HYDROXYLASE
SBAL_3634
(Shewanella
baltica) 		4 / 6 PHE A  93
ASN A  85
ARG A 102
ASN A  99
 IMD  A 502 (-4.0A)
None
IMD  A 501 ( 4.7A)
None
 1.45A 1t9uA-3dkqA:
undetectable		 1t9uA-3dkqA:
12.90
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.
1VHW_A_ADNA252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 11 ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
ILE A  94
 PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 1.42A 1vhwA-6g7xA:
39.8
1vhwD-6g7xA:
39.6		 1vhwA-6g7xA:
undetectable
1vhwD-6g7xA:
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.
1VHW_A_ADNA252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 11 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.46A 1vhwA-6g7xA:
39.8
1vhwD-6g7xA:
39.6		 1vhwA-6g7xA:
undetectable
1vhwD-6g7xA:
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.
1VHW_B_ADNB252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		5 / 9 MET A  64
ARG A  87
GLY A  92
MET A 180
GLU A 181
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.49A 1vhwB-6g7xA:
39.9
1vhwF-6g7xA:
39.3		 1vhwB-6g7xA:
undetectable
1vhwF-6g7xA:
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.
1VHW_C_ADNC252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 11 ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
ILE A  94
 PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 1.48A 1vhwC-6g7xA:
39.7
1vhwE-6g7xA:
39.6		 1vhwC-6g7xA:
undetectable
1vhwE-6g7xA:
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.
1VHW_C_ADNC252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 11 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.47A 1vhwC-6g7xA:
39.7
1vhwE-6g7xA:
39.6		 1vhwC-6g7xA:
undetectable
1vhwE-6g7xA:
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.
1VHW_D_ADND252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 11 ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
ILE A  94
 PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 1.46A 1vhwA-6g7xA:
39.8
1vhwD-6g7xA:
39.6		 1vhwA-6g7xA:
undetectable
1vhwD-6g7xA:
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.
1VHW_D_ADND252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 11 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.47A 1vhwA-6g7xA:
39.8
1vhwD-6g7xA:
39.6		 1vhwA-6g7xA:
undetectable
1vhwD-6g7xA:
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.
1VHW_E_ADNE252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 11 ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
ILE A  94
 PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 1.42A 1vhwC-6g7xA:
39.7
1vhwE-6g7xA:
39.6		 1vhwC-6g7xA:
undetectable
1vhwE-6g7xA:
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.
1VHW_E_ADNE252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 11 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.46A 1vhwC-6g7xA:
39.7
1vhwE-6g7xA:
39.6		 1vhwC-6g7xA:
undetectable
1vhwE-6g7xA:
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.
1VHW_F_ADNF252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 10 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.47A 1vhwB-6g7xA:
39.9
1vhwF-6g7xA:
39.3		 1vhwB-6g7xA:
undetectable
1vhwF-6g7xA:
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.
1W76_B_GNTB1538_1
(ACETYLCHOLINESTERASE)		 3gff IROE-LIKE SERINE
HYDROLASE
(Shewanella
oneidensis) 		5 / 10 GLY A 147
GLY A 146
TYR A  89
SER A 170
HIS A 246
 None
None
None
IMD  A 332 (-3.2A)
IMD  A 332 (-3.5A)
 1.30A 1w76B-3gffA:
11.9		 1w76B-3gffA:
21.88
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.
1XDS_A_SAMA5635_0
(PROTEIN RDMB)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		5 / 12 GLY A1344
GLY A1345
GLY A1347
PHE A1340
ASN A1500
 IMD  A2009 (-4.1A)
None
IMD  A2009 (-3.5A)
None
IMD  A2010 (-3.7A)
 0.79A 1xdsA-3u9wA:
undetectable		 1xdsA-3u9wA:
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.
1XDS_B_SAMB9635_0
(PROTEIN RDMB)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		5 / 12 GLY A1344
GLY A1345
GLY A1347
PHE A1340
ASN A1500
 IMD  A2009 (-4.1A)
None
IMD  A2009 (-3.5A)
None
IMD  A2010 (-3.7A)
 0.81A 1xdsB-3u9wA:
undetectable		 1xdsB-3u9wA:
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.
1YA3_A_STRA1001_2
(MINERALOCORTICOID
RECEPTOR)		 4bf7 ARABINOGALACTAN
ENDO-1,4-BETA-GALACT
OSIDASE A
(Aspergillus
nidulans) 		4 / 4 LEU A 158
LEU A 203
SER A 204
LEU A 197
 None
IMD  A1342 ( 4.8A)
None
None
 1.17A 1ya3A-4bf7A:
undetectable		 1ya3A-4bf7A:
21.57
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.
1Z35_A_2FAA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		8 / 10 MET A  64
ARG A  87
THR A  90
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.44A 1z35A-6g7xA:
37.5		 1z35A-6g7xA:
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.
1Z37_A_ADNA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		8 / 9 MET A  64
ARG A  87
THR A  90
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.46A 1z37A-6g7xA:
37.6		 1z37A-6g7xA:
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.
1ZLQ_A_ACTA1507_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 4kvl FATTY ACID
ALPHA-OXIDASE
(Oryza
sativa) 		3 / 3 GLN A 153
HIS A 157
ARG A 259
 HEM  A 701 ( 3.1A)
IMD  A 705 (-3.8A)
None
 1.09A 1zlqA-4kvlA:
undetectable		 1zlqA-4kvlA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
209D_C_DVAC2_0
(N8-ACTINOMYCIN D)		 3l07 BIFUNCTIONAL PROTEIN
FOLD
(Francisella
tularensis) 		3 / 3 THR A 265
PRO A 263
THR A 267
 None
IMD  A 503 (-4.3A)
None
 0.79A 209dC-3l07A:
undetectable		 209dC-3l07A:
3.70
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.
2A3A_A_TEPA1435_1
(CHITINASE)		 5t9x GLYCOSIDE HYDROLASE
(Bacteroides
uniformis) 		3 / 3 TRP A 237
GLU A 193
TYR A 195
 None
IMD  A 402 (-3.6A)
None
 1.23A 2a3aA-5t9xA:
undetectable		 2a3aA-5t9xA:
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.
2AC7_A_ADNA1216_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		7 / 11 MET A  64
ARG A  87
THR A  90
GLY A  92
GLU A 179
MET A 180
GLU A 181
 None
PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.48A 2ac7A-6g7xA:
36.3
2ac7B-6g7xA:
36.4		 2ac7A-6g7xA:
undetectable
2ac7B-6g7xA:
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.
2AC7_B_ADNB1215_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		7 / 11 MET A  64
ARG A  87
THR A  90
GLY A  92
GLU A 179
MET A 180
GLU A 181
 None
PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.49A 2ac7A-6g7xA:
36.3
2ac7B-6g7xA:
36.4		 2ac7A-6g7xA:
undetectable
2ac7B-6g7xA:
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.
2AQU_B_DR7B300_2
(HIV-1 PROTEASE)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 11 GLY A 389
ALA A 390
ILE A 434
GLY A 226
ILE A 225
 None
None
None
None
IMD  A 902 ( 4.3A)
 0.91A 2aquB-1gz5A:
undetectable		 2aquB-1gz5A:
15.85
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.
2AVV_A_MK1A901_3
(POL POLYPROTEIN)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 12 GLY A 389
ALA A 390
ILE A 434
GLY A 226
ILE A 225
 None
None
None
None
IMD  A 902 ( 4.3A)
 0.75A 2avvB-1gz5A:
undetectable		 2avvB-1gz5A:
15.71
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.
2B60_B_RITB100_1
(GAG-POL POLYPROTEIN)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 12 GLY A 389
ALA A 390
ILE A 434
GLY A 226
ILE A 225
 None
None
None
None
IMD  A 902 ( 4.3A)
 0.86A 2b60A-1gz5A:
undetectable		 2b60A-1gz5A:
15.50
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.
2B7Z_B_MK1B200_2
(HIV-1 PROTEASE)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 12 GLY A 389
ALA A 390
ILE A 434
GLY A 226
ILE A 225
 None
None
None
None
IMD  A 902 ( 4.3A)
 0.72A 2b7zB-1gz5A:
undetectable		 2b7zB-1gz5A:
15.81
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.
2BNN_B_FCNB1199_1
(EPOXIDASE)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		4 / 8 LEU A  31
HIS A 129
HIS A 154
ALA A  30
 None
None
IMD  A 902 (-3.9A)
None
 0.86A 2bnnA-1gz5A:
undetectable
2bnnB-1gz5A:
undetectable		 2bnnA-1gz5A:
17.98
2bnnB-1gz5A:
17.98
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.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		 4pcs ALPHA-L-FUCOSIDASE
(Bacteroides
thetaiotaomicron) 		5 / 9 TYR A 168
VAL A 129
THR A 126
GLY A 371
ALA A 367
 IMD  A 503 (-4.9A)
None
None
None
None
 1.34A 2cojA-4pcsA:
undetectable
2cojB-4pcsA:
undetectable		 2cojA-4pcsA:
20.64
2cojB-4pcsA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DDW_B_PXLB1005_1
(PYRIDOXINE KINASE)		 5u02 GLYCOSYL TRANSFERASE
(Staphylococcus
aureus) 		4 / 7 LEU A 472
THR A 473
PRO A 474
GLY A 514
 None
IMD  A 601 (-3.8A)
None
None
 1.05A 2ddwB-5u02A:
undetectable		 2ddwB-5u02A:
22.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F78_A_BEZA1001_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 3k1n HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM
(Acinetobacter
sp.
ADP1) 		9 / 9 LEU A 100
LEU A 104
LEU A 105
ILE A 108
PHE A 144
LEU A 159
ARG A 160
ILE A 269
TYR A 293
 IMD  A 313 ( 4.1A)
CL  A 314 ( 4.1A)
IMD  A 313 ( 4.0A)
None
IMD  A 313 ( 4.9A)
None
CL  A 314 (-3.4A)
IMD  A 313 ( 4.1A)
IMD  A 313 (-4.7A)
 0.53A 2f78A-3k1nA:
32.3		 2f78A-3k1nA:
74.36
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.
2F78_B_BEZB1002_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 3jtj 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE
(Yersinia
pestis) 		5 / 9 LEU A 212
LEU A 215
ILE A 221
PHE A 155
TYR A 185
 None
None
None
None
IMD  A 301 (-3.9A)
 1.27A 2f78B-3jtjA:
undetectable		 2f78B-3jtjA:
20.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F78_B_BEZB1002_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 3k1n HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM
(Acinetobacter
sp.
ADP1) 		9 / 9 LEU A 100
LEU A 104
LEU A 105
ILE A 108
PHE A 144
LEU A 159
ARG A 160
ILE A 269
TYR A 293
 IMD  A 313 ( 4.1A)
CL  A 314 ( 4.1A)
IMD  A 313 ( 4.0A)
None
IMD  A 313 ( 4.9A)
None
CL  A 314 (-3.4A)
IMD  A 313 ( 4.1A)
IMD  A 313 (-4.7A)
 0.52A 2f78B-3k1nA:
32.8		 2f78B-3k1nA:
74.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F7A_A_BEZA1003_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 3k1n HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM
(Acinetobacter
sp.
ADP1) 		9 / 9 LEU A 100
LEU A 104
LEU A 105
ILE A 108
PHE A 144
LEU A 159
ARG A 160
ILE A 269
TYR A 293
 IMD  A 313 ( 4.1A)
CL  A 314 ( 4.1A)
IMD  A 313 ( 4.0A)
None
IMD  A 313 ( 4.9A)
None
CL  A 314 (-3.4A)
IMD  A 313 ( 4.1A)
IMD  A 313 (-4.7A)
 0.41A 2f7aA-3k1nA:
31.5		 2f7aA-3k1nA:
74.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F7A_B_BEZB1002_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 3k1n HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM
(Acinetobacter
sp.
ADP1) 		8 / 9 LEU A 100
LEU A 104
ILE A 108
PHE A 144
LEU A 159
ARG A 160
ILE A 269
TYR A 293
 IMD  A 313 ( 4.1A)
CL  A 314 ( 4.1A)
None
IMD  A 313 ( 4.9A)
None
CL  A 314 (-3.4A)
IMD  A 313 ( 4.1A)
IMD  A 313 (-4.7A)
 0.72A 2f7aB-3k1nA:
32.4		 2f7aB-3k1nA:
74.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F7A_B_BEZB1002_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 3k1n HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM
(Acinetobacter
sp.
ADP1) 		8 / 9 LEU A 100
LEU A 104
LEU A 105
ILE A 108
PHE A 144
LEU A 159
ILE A 269
TYR A 293
 IMD  A 313 ( 4.1A)
CL  A 314 ( 4.1A)
IMD  A 313 ( 4.0A)
None
IMD  A 313 ( 4.9A)
None
IMD  A 313 ( 4.1A)
IMD  A 313 (-4.7A)
 0.69A 2f7aB-3k1nA:
32.4		 2f7aB-3k1nA:
74.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F8D_A_BEZA1002_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 3k1n HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM
(Acinetobacter
sp.
ADP1) 		10 / 10 LEU A 100
GLY A 103
LEU A 104
LEU A 105
ILE A 108
PHE A 144
LEU A 159
ARG A 160
ILE A 269
TYR A 293
 IMD  A 313 ( 4.1A)
CL  A 314 ( 4.1A)
CL  A 314 ( 4.1A)
IMD  A 313 ( 4.0A)
None
IMD  A 313 ( 4.9A)
None
CL  A 314 (-3.4A)
IMD  A 313 ( 4.1A)
IMD  A 313 (-4.7A)
 0.51A 2f8dA-3k1nA:
34.1		 2f8dA-3k1nA:
74.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F8D_B_BEZB1003_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 3k1n HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM
(Acinetobacter
sp.
ADP1) 		10 / 10 LEU A 100
GLY A 103
LEU A 104
LEU A 105
ILE A 108
PHE A 144
LEU A 159
ARG A 160
ILE A 269
TYR A 293
 IMD  A 313 ( 4.1A)
CL  A 314 ( 4.1A)
CL  A 314 ( 4.1A)
IMD  A 313 ( 4.0A)
None
IMD  A 313 ( 4.9A)
None
CL  A 314 (-3.4A)
IMD  A 313 ( 4.1A)
IMD  A 313 (-4.7A)
 0.54A 2f8dB-3k1nA:
35.0		 2f8dB-3k1nA:
74.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2FJ1_A_CTCA222_0
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)
(Escherichia
coli) 		9 / 12 HIS A  64
SER A  67
PHE A  86
HIS A 100
THR A 112
GLN A 116
LEU A 131
ILE A 134
SER A 138
 None
None
None
IMD  A   1 (-4.0A)
None
None
None
None
None
 0.67A 2fj1A-1qpiA:
25.4		 2fj1A-1qpiA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2H42_B_VIAB902_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 4hvl MEMBRANE-ANCHORED
MYCOSIN MYCP1
(Mycolicibacteriu
m
thermoresistibil
e) 		5 / 12 ALA A 357
ILE A 360
VAL A 226
ALA A 225
ILE A 199
 IMD  A 510 (-3.5A)
None
IMD  A 510 (-4.8A)
None
None
 0.91A 2h42B-4hvlA:
undetectable		 2h42B-4hvlA:
20.52
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.
2HA2_B_SCKB951_1
(ACETYLCHOLINESTERASE)		 2qzc TRANSCRIPTIONAL
ACTIVATOR TENA-1
(Sulfolobus
solfataricus) 		4 / 8 TYR A  50
ASP A  47
TYR A 140
HIS A  24
 IMD  A 214 (-3.7A)
GOL  A 215 ( 3.1A)
GOL  A 215 ( 3.5A)
None
 1.48A 2ha2B-2qzcA:
undetectable		 2ha2B-2qzcA:
16.24
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.
2J0H_B_ACHB1289_0
(FICOLIN-2)		 2ygt DELTA TOXIN
(Clostridium
perfringens) 		4 / 4 ARG A 287
ASP A 280
THR A 285
LYS A 239
 IMD  A1293 (-4.3A)
None
None
None
 1.29A 2j0hB-2ygtA:
0.0		 2j0hB-2ygtA:
19.02
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.
2J0H_C_ACHC1289_0
(FICOLIN-2)		 2ygt DELTA TOXIN
(Clostridium
perfringens) 		4 / 4 ARG A 287
ASP A 280
THR A 285
LYS A 239
 IMD  A1293 (-4.3A)
None
None
None
 1.21A 2j0hC-2ygtA:
0.0		 2j0hC-2ygtA:
19.02
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.
2J0H_F_ACHF1289_0
(FICOLIN-2)		 2ygt DELTA TOXIN
(Clostridium
perfringens) 		4 / 4 ARG A 287
ASP A 280
THR A 285
LYS A 239
 IMD  A1293 (-4.3A)
None
None
None
 1.20A 2j0hF-2ygtA:
0.0		 2j0hF-2ygtA:
19.02
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.
2J2P_B_SC2B1289_1
(FICOLIN-2)		 2ygt DELTA TOXIN
(Clostridium
perfringens) 		4 / 4 ARG A 287
ASP A 280
THR A 285
LYS A 239
 IMD  A1293 (-4.3A)
None
None
None
 1.29A 2j2pB-2ygtA:
0.0		 2j2pB-2ygtA:
19.02
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.
2J2P_C_SC2C1290_1
(FICOLIN-2)		 2ygt DELTA TOXIN
(Clostridium
perfringens) 		4 / 4 ARG A 287
ASP A 280
THR A 285
LYS A 239
 IMD  A1293 (-4.3A)
None
None
None
 1.39A 2j2pC-2ygtA:
0.0		 2j2pC-2ygtA:
19.02
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.
2J2P_F_SC2F1290_1
(FICOLIN-2)		 2ygt DELTA TOXIN
(Clostridium
perfringens) 		4 / 4 ARG A 287
ASP A 280
THR A 285
LYS A 239
 IMD  A1293 (-4.3A)
None
None
None
 1.30A 2j2pF-2ygtA:
0.0		 2j2pF-2ygtA:
19.02
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.
2NMZ_B_ROCB401_3
(PROTEASE)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 12 GLY A 389
ALA A 390
ILE A 434
GLY A 226
ILE A 225
 None
None
None
None
IMD  A 902 ( 4.3A)
 0.89A 2nmzB-1gz5A:
undetectable		 2nmzB-1gz5A:
12.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2O7O_A_DXTA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)
(Escherichia
coli) 		7 / 12 HIS A  64
ASN A  82
PHE A  86
HIS A 100
THR A 112
GLN A 116
SER A 138
 None
None
None
IMD  A   1 (-4.0A)
None
None
None
 0.65A 2o7oA-1qpiA:
24.9		 2o7oA-1qpiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2O7O_A_DXTA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)
(Escherichia
coli) 		7 / 12 HIS A  64
SER A  67
ASN A  82
PHE A  86
HIS A 100
THR A 112
GLN A 116
 None
None
None
None
IMD  A   1 (-4.0A)
None
None
 0.69A 2o7oA-1qpiA:
24.9		 2o7oA-1qpiA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OBV_A_SAMA501_0
(S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		4 / 8 HIS A 318
PRO A 314
SER A 336
PHE A 296
 FE  A1491 ( 3.5A)
IMD  A 600 ( 4.7A)
None
IMD  A 600 (-4.7A)
 1.22A 2obvA-4v06A:
undetectable		 2obvA-4v06A:
22.91
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.
2OKC_A_SAMA500_1
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 3cc1 PUTATIVE
ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bacillus
halodurans) 		4 / 6 THR A 327
THR A 293
ASP A  19
ASP A  52
 None
None
None
IMD  A 437 (-3.3A)
 1.32A 2okcA-3cc1A:
undetectable		 2okcA-3cc1A:
21.26
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.
2PNC_A_CLUA808_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		 1w7c LYSYL OXIDASE
(Komagataella
pastoris) 		6 / 7 ALA A 382
TYR A 384
TYR A 396
ASP A 398
TYR A 480
HIS A 530
 TPQ  A 478 ( 4.6A)
TPQ  A 478 ( 4.7A)
IMD  A 821 (-3.5A)
IMD  A 821 (-2.6A)
TPQ  A 478 ( 3.9A)
CU  A 801 (-3.2A)
 0.52A 2pncA-1w7cA:
39.9		 2pncA-1w7cA:
28.98
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.
2PNC_B_CLUB809_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		 1w7c LYSYL OXIDASE
(Komagataella
pastoris) 		5 / 6 ALA A 382
TYR A 396
ASP A 398
TYR A 480
HIS A 530
 TPQ  A 478 ( 4.6A)
IMD  A 821 (-3.5A)
IMD  A 821 (-2.6A)
TPQ  A 478 ( 3.9A)
CU  A 801 (-3.2A)
 0.48A 2pncB-1w7cA:
43.7		 2pncB-1w7cA:
28.98
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.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
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)		 5mse GREEN FLUORESCENT
PROTEIN
(Aequorea
victoria) 		3 / 3 ASN A 170
LEU A 141
HIS A 169
 IMD  A 303 (-3.6A)
None
NA  A 301 (-4.1A)
 0.87A 2q6fB-5mseA:
undetectable		 2q6fB-5mseA:
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		 3jtj 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE
(Yersinia
pestis) 		5 / 12 GLU A 210
TYR A 187
ILE A 221
VAL A 214
PHE A 191
 IMD  A 301 ( 4.4A)
IMD  A 301 (-4.8A)
None
None
None
 1.38A 2qeoA-3jtjA:
undetectable		 2qeoA-3jtjA:
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.
2R5Q_B_1UNB900_2
(PROTEASE)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 11 GLY A 389
ALA A 390
ILE A 434
GLY A 226
ILE A 225
 None
None
None
None
IMD  A 902 ( 4.3A)
 0.88A 2r5qB-1gz5A:
undetectable		 2r5qB-1gz5A:
12.36
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.
2R5Q_D_1UND900_2
(PROTEASE)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 10 GLY A 389
ALA A 390
ILE A 434
GLY A 226
ILE A 225
 None
None
None
None
IMD  A 902 ( 4.3A)
 0.88A 2r5qD-1gz5A:
undetectable		 2r5qD-1gz5A:
12.36
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.
2RHM_D_BEZD194_0
(PUTATIVE KINASE)		 5exk LIPOYL SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 5 PRO A 193
ILE A 191
ARG A 192
ASP A  86
 None
None
MET  A 404 ( 2.9A)
IMD  A 405 (-3.9A)
 1.50A 2rhmD-5exkA:
1.5		 2rhmD-5exkA:
21.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TCT_A_CTCA222_0
(TETRACYCLINE
REPRESSOR)		 1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)
(Escherichia
coli) 		9 / 12 HIS A  64
SER A  67
PHE A  86
HIS A 100
THR A 112
VAL A 113
GLN A 116
ILE A 134
SER A 138
 None
None
None
IMD  A   1 (-4.0A)
None
None
None
None
None
 0.70A 2tctA-1qpiA:
25.8		 2tctA-1qpiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TRT_A_TACA222_1
(TETRACYCLINE
REPRESSOR CLASS D)		 1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)
(Escherichia
coli) 		8 / 11 HIS A  64
SER A  67
ASN A  82
PHE A  86
HIS A 100
GLN A 116
ILE A 134
SER A 138
 None
None
None
None
IMD  A   1 (-4.0A)
None
None
None
 0.72A 2trtA-1qpiA:
25.5		 2trtA-1qpiA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V3D_A_NBVA1503_1
(GLUCOSYLCERAMIDASE)		 2y24 XYLANASE
(Dickeya
chrysanthemi) 		7 / 12 TRP A 113
ASN A 164
GLU A 165
HIS A 230
TYR A 232
GLU A 253
TRP A 289
 XYP  A1001 (-3.9A)
XYP  A1001 (-3.1A)
XYP  A1001 ( 2.4A)
None
IMD  A1417 (-3.8A)
XYP  A1001 (-2.8A)
XYP  A1001 (-4.2A)
 0.58A 2v3dA-2y24A:
35.3		 2v3dA-2y24A:
23.65
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.
2V3D_B_NBVB1504_1
(GLUCOSYLCERAMIDASE)		 2y24 XYLANASE
(Dickeya
chrysanthemi) 		6 / 11 TRP A 113
ASN A 164
GLU A 165
TYR A 232
GLU A 253
TRP A 289
 XYP  A1001 (-3.9A)
XYP  A1001 (-3.1A)
XYP  A1001 ( 2.4A)
IMD  A1417 (-3.8A)
XYP  A1001 (-2.8A)
XYP  A1001 (-4.2A)
 0.66A 2v3dB-2y24A:
35.0		 2v3dB-2y24A:
23.65
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.
2V95_A_HCYA1375_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 3qzy BACULOVIRUS
SULFHYDRYL OXIDASE
AC92
(Autographa
californica
multiple
nucleopolyhedrov
irus) 		5 / 12 PRO A   3
THR A 112
ILE A 119
ASP A 121
PHE A 115
 None
None
None
None
IMD  A 261 (-4.5A)
 1.29A 2v95A-3qzyA:
undetectable		 2v95A-3qzyA:
22.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VKE_A_TACA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)
(Escherichia
coli) 		8 / 11 HIS A  64
SER A  67
ASN A  82
PHE A  86
HIS A 100
GLN A 116
ILE A 134
SER A 138
 None
None
None
None
IMD  A   1 (-4.0A)
None
None
None
 0.80A 2vkeA-1qpiA:
25.4		 2vkeA-1qpiA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WEK_B_DIFB1374_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 3poh ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F1
(Bacteroides
thetaiotaomicron) 		4 / 6 PRO A 346
ILE A 174
ASN A 100
LEU A  96
 None
IMD  A 500 ( 4.1A)
None
None
 1.15A 2wekB-3pohA:
undetectable		 2wekB-3pohA:
21.17
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.
2X91_A_LPRA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		5 / 12 HIS A 318
GLU A 319
HIS A 323
GLU A 363
TYR A 281
 FE  A1491 ( 3.5A)
IMD  A 600 (-3.3A)
FE  A1491 ( 3.3A)
FE  A1491 ( 2.0A)
None
 1.41A 2x91A-4v06A:
undetectable		 2x91A-4v06A:
19.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XPV_A_MIYA1209_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)
(Escherichia
coli) 		9 / 12 HIS A  64
ASN A  82
PHE A  86
HIS A 100
THR A 112
VAL A 113
GLN A 116
ILE A 134
SER A 138
 None
None
None
IMD  A   1 (-4.0A)
None
None
None
None
None
 0.64A 2xpvA-1qpiA:
25.6		 2xpvA-1qpiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XPW_A_OTCA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)
(Escherichia
coli) 		7 / 12 LEU A  60
HIS A  64
ASN A  82
PHE A  86
HIS A 100
GLN A 116
SER A 138
 None
None
None
None
IMD  A   1 (-4.0A)
None
None
 0.75A 2xpwA-1qpiA:
24.7		 2xpwA-1qpiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XPW_A_OTCA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)
(Escherichia
coli) 		5 / 12 LEU A  60
PHE A  86
HIS A 100
PRO A 105
SER A 138
 None
None
IMD  A   1 (-4.0A)
IMD  A   1 ( 4.9A)
None
 0.74A 2xpwA-1qpiA:
24.7		 2xpwA-1qpiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XRL_A_DXTA1211_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)
(Escherichia
coli) 		7 / 12 HIS A  64
ASN A  82
PHE A  86
HIS A 100
THR A 112
GLN A 116
SER A 138
 None
None
None
IMD  A   1 (-4.0A)
None
None
None
 0.70A 2xrlA-1qpiA:
25.3		 2xrlA-1qpiA:
99.51
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.
2Y69_C_CHDC1265_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		4 / 5 PHE A 335
PHE A 332
LEU A 327
PHE A 296
 None
None
None
IMD  A 600 (-4.7A)
 1.32A 2y69C-4v06A:
undetectable
2y69J-4v06A:
undetectable		 2y69C-4v06A:
21.41
2y69J-4v06A:
12.72
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.
2Y69_P_CHDP1265_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		4 / 5 PHE A 335
PHE A 332
LEU A 327
PHE A 296
 None
None
None
IMD  A 600 (-4.7A)
 1.30A 2y69P-4v06A:
undetectable
2y69W-4v06A:
undetectable		 2y69P-4v06A:
21.41
2y69W-4v06A:
12.72
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.
3ABM_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		4 / 5 PHE A 335
PHE A 332
LEU A 327
PHE A 296
 None
None
None
IMD  A 600 (-4.7A)
 1.32A 3abmC-4v06A:
undetectable
3abmJ-4v06A:
undetectable		 3abmC-4v06A:
21.41
3abmJ-4v06A:
11.89
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.
3ABM_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		4 / 5 PHE A 335
PHE A 332
LEU A 327
PHE A 296
 None
None
None
IMD  A 600 (-4.7A)
 1.28A 3abmP-4v06A:
undetectable
3abmW-4v06A:
undetectable		 3abmP-4v06A:
21.41
3abmW-4v06A:
11.89
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.
3AG3_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		4 / 5 PHE A 335
PHE A 332
LEU A 327
PHE A 296
 None
None
None
IMD  A 600 (-4.7A)
 1.35A 3ag3C-4v06A:
undetectable
3ag3J-4v06A:
undetectable		 3ag3C-4v06A:
21.41
3ag3J-4v06A:
11.89
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.
3AI9_X_SAMX501_0
(UPF0217 PROTEIN
MJ1640)		 2rd9 BH0186 PROTEIN
(Bacillus
halodurans) 		5 / 9 ILE A  64
GLY A 122
SER A 137
LEU A 136
LEU A 118
 None
None
None
None
IMD  A 302 ( 4.9A)
 1.08A 3ai9X-2rd9A:
undetectable		 3ai9X-2rd9A:
21.05
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.
3AI9_X_SAMX501_0
(UPF0217 PROTEIN
MJ1640)		 2rd9 BH0186 PROTEIN
(Bacillus
halodurans) 		5 / 9 LEU A 135
ILE A  64
GLY A 122
SER A 137
LEU A 118
 None
None
None
None
IMD  A 302 ( 4.9A)
 1.07A 3ai9X-2rd9A:
undetectable		 3ai9X-2rd9A:
21.05
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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 3mvu TENA FAMILY
TRANSCRIPTIONAL
REGULATOR
(Ruegeria
sp.
TM1040) 		5 / 12 TYR A 172
ILE A 147
PHE A 218
GLU A 215
TYR A  45
 EDO  A 237 (-4.7A)
None
IMD  A 226 (-3.6A)
IMD  A 226 (-2.8A)
None
 1.28A 3apwA-3mvuA:
undetectable		 3apwA-3mvuA:
19.92
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		 3l5o UNCHARACTERIZED
PROTEIN FROM DUF364
FAMILY
(Desulfitobacteri
um
hafniense) 		4 / 7 VAL A 128
ASP A 180
LEU A 158
ILE A 196
 None
IMD  A 303 ( 2.8A)
IMD  A 303 (-4.2A)
None
 0.98A 3avpA-3l5oA:
undetectable		 3avpA-3l5oA:
22.09
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.
3BJW_A_SVRA508_2
(PHOSPHOLIPASE A2)		 3ph2 CYTOCHROME C6
(Phormidium
laminosum) 		5 / 9 VAL B  52
VAL B  51
GLY B  55
LYS B  56
GLY B  64
 IMD  B1088 (-4.5A)
IMD  B1088 (-4.3A)
IMD  B1088 ( 4.4A)
HEM  B1087 (-2.8A)
None
 1.18A 3bjwG-3ph2B:
undetectable		 3bjwG-3ph2B:
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.
3ELZ_B_CHDB200_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3l07 BIFUNCTIONAL PROTEIN
FOLD
(Francisella
tularensis) 		4 / 5 PRO A 258
VAL A 257
THR A 147
GLY A 144
 IMD  A 503 (-4.4A)
None
EDO  A 506 ( 3.5A)
None
 1.16A 3elzB-3l07A:
undetectable		 3elzB-3l07A:
19.86
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.
3EM0_B_CHDB500_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4pfb C4-DICARBOXYLATE-BIN
DING PROTEIN
(Fusobacterium
nucleatum) 		4 / 7 THR A  64
VAL A  29
THR A  31
VAL A  87
 IMD  A 406 ( 3.6A)
None
None
None
 0.62A 3em0B-4pfbA:
undetectable		 3em0B-4pfbA:
16.77
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.
3ETE_C_H3PC554_1
(GLUTAMATE
DEHYDROGENASE)		 2nuh PERIPLASMIC DIVALENT
CATION TOLERANCE
PROTEIN
(Xylella
fastidiosa) 		4 / 5 ILE A  60
TYR A   6
ILE A  71
HIS A  78
 None
None
IMD  A 200 (-3.6A)
None
 1.24A 3eteB-2nuhA:
undetectable
3eteC-2nuhA:
undetectable		 3eteB-2nuhA:
14.25
3eteC-2nuhA:
14.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HCR_A_CHDA424_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3l07 BIFUNCTIONAL PROTEIN
FOLD
(Francisella
tularensis) 		4 / 8 LEU A   3
GLY A 262
PRO A 263
MET A 264
 None
IMD  A 503 ( 3.8A)
IMD  A 503 (-4.3A)
None
 1.06A 3hcrA-3l07A:
2.3		 3hcrA-3l07A:
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.
3IB1_A_IMNA701_1
(LACTOTRANSFERRIN)		 5u02 GLYCOSYL TRANSFERASE
(Staphylococcus
aureus) 		4 / 4 PRO A 474
THR A 473
GLY A 510
THR A 509
 None
IMD  A 601 (-3.8A)
None
None
 0.94A 3ib1A-5u02A:
undetectable		 3ib1A-5u02A:
21.16
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.
3IV6_D_SAMD301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 3c2q UNCHARACTERIZED
CONSERVED PROTEIN
(Methanococcus
maripaludis) 		5 / 12 GLY A 212
SER A 351
THR A 352
ILE A 237
LEU A 243
 None
IMD  A 501 (-4.0A)
None
None
None
 1.27A 3iv6D-3c2qA:
undetectable		 3iv6D-3c2qA:
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.
3JW2_A_017A401_2
(GAG-POL POLYPROTEIN)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 12 GLY A 389
ALA A 390
ILE A 434
GLY A 226
ILE A 225
 None
None
None
None
IMD  A 902 ( 4.3A)
 0.84A 3jw2B-1gz5A:
undetectable		 3jw2B-1gz5A:
15.71
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.
3JW3_A_TOPA208_1
(DIHYDROFOLATE
REDUCTASE)		 3q10 PANTOATE--BETA-ALANI
NE LIGASE
(Yersinia
pestis) 		5 / 10 ALA A 248
LEU A 282
VAL A 280
ILE A 222
ILE A 263
 IMD  A 606 ( 4.8A)
None
None
None
None
 1.13A 3jw3A-3q10A:
undetectable		 3jw3A-3q10A:
19.01
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.
3K9W_A_ACTA170_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 3jtj 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE
(Yersinia
pestis) 		3 / 3 SER A  74
GLY A  75
THR A  76
 None
None
IMD  A 301 (-4.3A)
 0.22A 3k9wA-3jtjA:
2.7		 3k9wA-3jtjA:
22.81
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.
3KO0_T_TFPT201_1
(PROTEIN S100-A4)		 5sxg DNA DC->DU-EDITING
ENZYME APOBEC-3B
(Homo
sapiens) 		4 / 7 PHE A 341
PHE A 198
GLY A 361
PHE A 278
 None
None
None
IMD  A 403 ( 4.7A)
 0.87A 3ko0R-5sxgA:
undetectable
3ko0T-5sxgA:
undetectable		 3ko0R-5sxgA:
20.79
3ko0T-5sxgA:
20.79
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.
3KVR_A_URFA2001_1
(URIDINE
PHOSPHORYLASE)		 6g7x -
(-) 		5 / 10 THR A  90
GLY A  92
PHE A 159
GLU A 179
MET A 180
 PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
IMD  A 302 (-4.4A)
None
IMD  A 302 (-4.6A)
 0.42A 3kvrA-6g7xA:
19.5		 3kvrA-6g7xA:
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.
3KVR_B_URFB2011_1
(URIDINE
PHOSPHORYLASE)		 6g7x -
(-) 		5 / 10 THR A  90
GLY A  92
PHE A 159
GLU A 179
MET A 180
 PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
IMD  A 302 (-4.4A)
None
IMD  A 302 (-4.6A)
 0.43A 3kvrB-6g7xA:
23.7		 3kvrB-6g7xA:
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.
3KZ7_A_RAPA225_1
(FK506-BINDING
PROTEIN 3)		 3no6 TRANSCRIPTIONAL
ACTIVATOR TENA
(Staphylococcus
epidermidis) 		5 / 10 TYR A  40
ASP A  44
LEU A  89
ILE A 144
PHE A 212
 None
IMD  A 300 (-3.3A)
None
None
None
 1.31A 3kz7A-3no6A:
undetectable		 3kz7A-3no6A:
16.74
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.
3LZV_A_017A200_1
(HIV-1 PROTEASE)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 10 GLY A 389
ALA A 390
ILE A 434
GLY A 226
ILE A 225
 None
None
None
None
IMD  A 902 ( 4.3A)
 0.79A 3lzvA-1gz5A:
undetectable		 3lzvA-1gz5A:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU4_B_478B401_1
(PROTEASE)		 2vd3 ATP
PHOSPHORIBOSYLTRANSF
ERASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 9 ALA A 114
ASP A 134
ILE A 133
ILE A 156
ILE A 110
 None
IMD  A1288 (-3.8A)
None
None
None
 0.96A 3nu4A-2vd3A:
undetectable		 3nu4A-2vd3A:
18.73
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.
3OU6_D_SAMD300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 5t9x GLYCOSIDE HYDROLASE
(Bacteroides
uniformis) 		5 / 12 GLU A 193
ALA A 194
TRP A 179
GLY A 196
SER A 172
 IMD  A 402 (-3.6A)
None
IMD  A 402 (-3.5A)
None
None
 1.44A 3ou6D-5t9xA:
undetectable		 3ou6D-5t9xA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4zfm PUTATIVE
6-PHOSPHO-BETA-GALAC
TOBIOSIDASE
(Geobacillus
stearothermophil
us) 		3 / 3 TYR A  61
ASP A  59
ASP A  55
 None
IMD  A 507 (-3.4A)
None
 0.87A 3ou7B-4zfmA:
undetectable		 3ou7B-4zfmA:
19.18
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3cc1 PUTATIVE
ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bacillus
halodurans) 		4 / 6 GLN A  54
MET A 114
ILE A  53
SER A 283
 GOL  A 441 ( 3.7A)
None
IMD  A 437 ( 4.4A)
None
 1.16A 3pmzD-3cc1A:
undetectable		 3pmzD-3cc1A:
18.27
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.
3PP1_A_ACTA590_0
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 3k1n HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM
(Acinetobacter
sp.
ADP1) 		4 / 5 GLU A 125
LEU A 100
GLN A 131
GLY A 145
 None
IMD  A 313 ( 4.1A)
None
None
 1.27A 3pp1A-3k1nA:
undetectable		 3pp1A-3k1nA:
24.19
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.
3QEL_D_QELD2_1
(NMDA GLUTAMATE
RECEPTOR SUBUNIT
GLUTAMATE [NMDA]
RECEPTOR SUBUNIT
EPSILON-2)		 3smv S-(-)-AZETIDINE-2-CA
RBOXYLATE HYDROLASE
(Pseudomonas
sp.
AC2) 		4 / 5 TYR A 160
THR A 159
PHE A 158
LEU A 165
 IMD  A 401 (-4.8A)
None
None
None
 0.73A 3qelC-3smvA:
4.4		 3qelC-3smvA:
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.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3c8l FTSZ-LIKE PROTEIN OF
UNKNOWN FUNCTION
(Nostoc
punctiforme) 		5 / 12 VAL A  29
ALA A 113
ILE A   8
LEU A  38
ILE A  33
 None
None
None
IMD  A 125 (-4.6A)
IMD  A 125 (-3.7A)
 1.18A 3qfxA-3c8lA:
undetectable		 3qfxA-3c8lA:
19.05
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.
3QFX_B_CP6B702_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3c8l FTSZ-LIKE PROTEIN OF
UNKNOWN FUNCTION
(Nostoc
punctiforme) 		5 / 12 VAL A  29
ALA A 113
ILE A   8
LEU A  38
ILE A  33
 None
None
None
IMD  A 125 (-4.6A)
IMD  A 125 (-3.7A)
 1.14A 3qfxB-3c8lA:
undetectable		 3qfxB-3c8lA:
19.05
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.
3QL6_A_NIMA614_1
(LACTOPEROXIDASE)		 5u02 GLYCOSYL TRANSFERASE
(Staphylococcus
aureus) 		4 / 7 GLN A 537
GLU A 458
PHE A 362
PRO A 474
 None
IMD  A 601 (-3.0A)
None
None
 1.06A 3ql6A-5u02A:
undetectable		 3ql6A-5u02A:
19.90
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.
3R9T_C_BEZC264_0
(ECHA1_1)		 3fvb BACTERIOFERRITIN
(Brucella
abortus) 		4 / 5 ALA A  21
GLU A 127
GLU A  94
ALA A  97
 IMD  A 171 (-3.4A)
FE  A 164 ( 2.5A)
IMD  A 171 (-3.2A)
IMD  A 171 (-3.4A)
 1.31A 3r9tC-3fvbA:
undetectable		 3r9tC-3fvbA:
21.48
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.
3ROD_A_NCAA302_0
(NICOTINAMIDE
N-METHYLTRANSFERASE)		 1w7c LYSYL OXIDASE
(Komagataella
pastoris) 		4 / 8 TYR A 396
ASP A 388
TYR A 384
SER A 526
 IMD  A 821 (-3.5A)
None
TPQ  A 478 ( 4.7A)
None
 0.98A 3rodA-1w7cA:
undetectable		 3rodA-1w7cA:
15.64
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.
3ROD_A_NCAA302_0
(NICOTINAMIDE
N-METHYLTRANSFERASE)		 1w7c LYSYL OXIDASE
(Komagataella
pastoris) 		4 / 8 TYR A 396
SER A 386
TYR A 384
SER A 526
 IMD  A 821 (-3.5A)
None
TPQ  A 478 ( 4.7A)
None
 1.07A 3rodA-1w7cA:
undetectable		 3rodA-1w7cA:
15.64
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.
3S43_A_478A401_1
(PROTEASE)		 2vd3 ATP
PHOSPHORIBOSYLTRANSF
ERASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 9 ALA A 114
ASP A 134
ILE A 133
ILE A 156
ILE A 110
 None
IMD  A1288 (-3.8A)
None
None
None
 0.97A 3s43A-2vd3A:
undetectable		 3s43A-2vd3A:
17.23
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.
3S53_A_017A201_2
(PROTEASE)		 3k1n HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM
(Acinetobacter
sp.
ADP1) 		5 / 11 ALA A 142
GLY A 145
ILE A 269
ILE A 109
ILE A  94
 None
None
IMD  A 313 ( 4.1A)
None
None
 1.01A 3s53B-3k1nA:
undetectable		 3s53B-3k1nA:
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.
3T3R_B_9PLB501_1
(CYTOCHROME P450 2A6)		 5aif LIMONENE-1,2-EPOXIDE
HYDROLASE
(unidentified) 		5 / 9 PHE A 118
PHE A 113
VAL A  94
PHE A  53
PHE A  82
 None
IMD  A 200 (-3.6A)
IMD  A 200 ( 4.8A)
None
None
 1.33A 3t3rB-5aifA:
undetectable		 3t3rB-5aifA:
13.66
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.
3U40_A_ADNA251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		5 / 9 MET A  64
ARG A  87
GLU A 179
MET A 180
GLU A 181
 None
PO4  A 304 ( 4.4A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.36A 3u40A-6g7xA:
37.0
3u40F-6g7xA:
18.4		 3u40A-6g7xA:
undetectable
3u40F-6g7xA:
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.
3U40_B_ADNB251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		5 / 10 MET A  64
ARG A  87
GLU A 179
MET A 180
GLU A 181
 None
PO4  A 304 ( 4.4A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.33A 3u40B-6g7xA:
36.7
3u40C-6g7xA:
22.2		 3u40B-6g7xA:
undetectable
3u40C-6g7xA:
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.
3U40_C_ADNC251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 12 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.25A 3u40B-6g7xA:
36.7
3u40C-6g7xA:
22.2		 3u40B-6g7xA:
undetectable
3u40C-6g7xA:
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.
3U40_D_ADND251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 11 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.28A 3u40D-6g7xA:
36.8
3u40E-6g7xA:
35.9		 3u40D-6g7xA:
undetectable
3u40E-6g7xA:
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.
3U40_E_ADNE251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		6 / 12 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.30A 3u40D-6g7xA:
36.8
3u40E-6g7xA:
35.9		 3u40D-6g7xA:
undetectable
3u40E-6g7xA:
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.
3U40_F_ADNF251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6g7x -
(-) 		5 / 10 MET A  64
ARG A  87
GLU A 179
MET A 180
GLU A 181
 None
PO4  A 304 ( 4.4A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.29A 3u40A-6g7xA:
37.0
3u40F-6g7xA:
18.4		 3u40A-6g7xA:
undetectable
3u40F-6g7xA:
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.
3UAW_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 6g7x -
(-) 		6 / 11 ARG A  87
THR A  90
GLY A  92
GLU A 179
GLU A 181
ILE A  94
 PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
PO4  A 304 ( 4.7A)
None
 1.39A 3uawA-6g7xA:
38.0		 3uawA-6g7xA:
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.
3UAW_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 6g7x -
(-) 		8 / 11 MET A  64
ARG A  87
THR A  90
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.60A 3uawA-6g7xA:
38.0		 3uawA-6g7xA:
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.
3UAY_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 6g7x -
(-) 		6 / 10 ARG A  87
THR A  90
GLY A  92
GLU A 179
GLU A 181
ILE A  94
 PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
PO4  A 304 ( 4.7A)
None
 1.40A 3uayA-6g7xA:
38.2		 3uayA-6g7xA:
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.
3UAY_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 6g7x -
(-) 		7 / 10 MET A  64
ARG A  87
THR A  90
GLY A  92
GLU A 179
MET A 180
GLU A 181
 None
PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.45A 3uayA-6g7xA:
38.2		 3uayA-6g7xA:
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.
3UBO_B_ADNB353_2
(ADENOSINE KINASE)		 5u2w SHORT CHAIN
DEHYDROGENASE
(Burkholderia
cenocepacia) 		4 / 5 SER A 141
ILE A  18
TYR A 155
GLY A 186
 IMD  A 304 (-3.4A)
NAP  A 301 (-4.0A)
IMD  A 304 ( 4.3A)
NAP  A 301 (-4.7A)
 1.01A 3uboB-5u2wA:
7.6		 3uboB-5u2wA:
21.79
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.
3UJ7_B_SAMB302_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 5t9x GLYCOSIDE HYDROLASE
(Bacteroides
uniformis) 		4 / 5 TYR A 195
SER A 306
ASP A 177
ILE A 121
 None
None
IMD  A 402 (-3.5A)
None
 1.29A 3uj7B-5t9xA:
undetectable		 3uj7B-5t9xA:
19.25
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.
3V4T_A_ACTA503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 2vyo POLYSACCHARIDE
DEACETYLASE
DOMAIN-CONTAINING
PROTEIN ECU11_0510
(Encephalitozoon
cuniculi) 		3 / 3 ARG A 123
GLU A 121
THR A 120
 None
IMD  A1229 ( 4.7A)
None
 0.81A 3v4tA-2vyoA:
undetectable		 3v4tA-2vyoA:
21.51
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.
3VN2_A_TLSA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 5c6f BACTERIAL NON-HEME
FERRITIN
(Helicobacter
pylori) 		5 / 12 SER A 100
ILE A 101
TYR A 123
LEU A 120
LEU A  61
 None
None
IMD  A 204 (-3.7A)
None
None
 1.05A 3vn2A-5c6fA:
undetectable		 3vn2A-5c6fA:
20.41
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.
3ZJQ_A_NCAA300_0
(PROTOGLOBIN)		 4ese FMN-DEPENDENT
NADH-AZOREDUCTASE
(Yersinia
pestis) 		4 / 7 TYR A 156
VAL A 153
PHE A 109
ILE A  92
 IMD  A 306 ( 4.3A)
IMD  A 306 ( 4.8A)
None
None
 0.80A 3zjqA-4eseA:
undetectable		 3zjqA-4eseA:
24.78
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.
4A83_A_DXCA1160_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		 4pcs ALPHA-L-FUCOSIDASE
(Bacteroides
thetaiotaomicron) 		5 / 12 PHE A 112
LEU A 161
ILE A 131
ALA A 118
MET A 120
 None
None
None
None
IMD  A 503 (-3.1A)
 1.04A 4a83A-4pcsA:
undetectable		 4a83A-4pcsA:
18.12
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.
4A99_D_MIYD393_1
(TETX2 PROTEIN)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		4 / 5 ILE A1476
GLN A1473
ILE A1469
GLU A1501
 None
None
None
IMD  A2009 (-2.7A)
 0.98A 4a99D-3u9wA:
undetectable		 4a99D-3u9wA:
21.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ABZ_A_T1CA1209_1
(TETRACYCLINE
REPRESSOR CLASS D)		 1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)
(Escherichia
coli) 		8 / 12 HIS A  64
ASN A  82
PHE A  86
HIS A 100
THR A 112
GLN A 116
LEU A 131
SER A 138
 None
None
None
IMD  A   1 (-4.0A)
None
None
None
None
 0.60A 4abzA-1qpiA:
25.4		 4abzA-1qpiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AC0_A_MIYA1204_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS B FROM
TRANSPOSON TN1 0)		 1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)
(Escherichia
coli) 		5 / 12 HIS A  64
ASN A  82
PHE A  86
ARG A 104
THR A 112
 None
None
None
IMD  A   1 (-3.6A)
None
 0.97A 4ac0A-1qpiA:
24.7		 4ac0A-1qpiA:
65.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AC0_A_MIYA1204_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS B FROM
TRANSPOSON TN1 0)		 1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)
(Escherichia
coli) 		7 / 12 HIS A  64
ASN A  82
PHE A  86
HIS A 100
THR A 112
GLN A 116
LEU A 131
 None
None
None
IMD  A   1 (-4.0A)
None
None
None
 0.68A 4ac0A-1qpiA:
24.7		 4ac0A-1qpiA:
65.00
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		 1w7c LYSYL OXIDASE
(Komagataella
pastoris) 		4 / 7 THR A 394
TYR A 401
LEU A 174
PHE A 390
 None
IMD  A 821 ( 3.2A)
None
None
 1.22A 4awuA-1w7cA:
undetectable		 4awuA-1w7cA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D1Y_A_RBFA1176_1
(PUTATIVE PROTEASE I)		 5v4b F-BOX/WD
REPEAT-CONTAINING
PROTEIN 7
(Homo
sapiens) 		4 / 8 ASN B2635
GLN B2358
THR B2680
TRP B2365
 None
None
SO4  B2802 (-4.0A)
IMD  B2810 ( 4.2A)
 1.13A 4d1yA-5v4bB:
undetectable
4d1yB-5v4bB:
undetectable		 4d1yA-5v4bB:
18.59
4d1yB-5v4bB:
18.59
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.
4D9H_A_ADNA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 6g7x -
(-) 		8 / 11 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
ASP A 204
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
None
 0.87A 4d9hA-6g7xA:
37.7		 4d9hA-6g7xA:
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.
4DA6_A_GA2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 6g7x -
(-) 		5 / 9 MET A  64
GLY A  92
MET A 180
GLU A 181
ASP A 204
 None
IMD  A 302 ( 4.2A)
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.99A 4da6A-6g7xA:
37.3		 4da6A-6g7xA:
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.
4DA6_A_GA2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 6g7x -
(-) 		5 / 9 MET A  64
MET A 180
GLU A 181
SER A 203
ASP A 204
 None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
None
 1.16A 4da6A-6g7xA:
37.3		 4da6A-6g7xA:
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.
4DA7_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 6g7x -
(-) 		7 / 10 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.64A 4da7A-6g7xA:
37.8		 4da7A-6g7xA:
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.
4DAN_A_2FAA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 6g7x -
(-) 		8 / 11 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
ASP A 204
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
None
 0.98A 4danA-6g7xA:
37.2		 4danA-6g7xA:
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.
4DAN_B_2FAB301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 6g7x -
(-) 		7 / 12 ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
ASP A 204
 PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
None
 1.01A 4danA-6g7xA:
37.2
4danB-6g7xA:
37.3		 4danA-6g7xA:
undetectable
4danB-6g7xA:
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.
4DUB_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT 9D7)		 3dkq PKHD-TYPE
HYDROXYLASE
SBAL_3634
(Shewanella
baltica) 		4 / 6 PHE A 118
GLY A 128
LEU A 130
VAL A 159
 None
None
IMD  A 502 (-4.8A)
IMD  A 502 (-4.9A)
 1.07A 4dubA-3dkqA:
undetectable		 4dubA-3dkqA:
19.62
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.
4DX7_A_DM2A1105_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 4me4 METAL DEPENDENT
PHOSPHOHYDROLASE
(Persephonella
marina) 		5 / 11 THR A 251
GLY A 224
ASP A 222
ARG A 314
GLU A 185
 None
None
FE  A 402 ( 2.5A)
None
IMD  A 407 (-2.4A)
 1.26A 4dx7A-4me4A:
0.0		 4dx7A-4me4A:
15.85
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.
4E0F_A_RBFA301_1
(RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA)		 3pfe SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE
(Legionella
pneumophila) 		5 / 11 VAL A 434
LEU A 435
ALA A 128
HIS A 449
VAL A 453
 None
IMD  A 513 ( 4.0A)
None
GOL  A 522 (-4.4A)
None
 1.18A 4e0fA-3pfeA:
undetectable		 4e0fA-3pfeA:
17.19
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.
4E7C_A_ACTA504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 5fji BETA-GLUCOSIDASE
(Aspergillus
fumigatus) 		3 / 3 ARG A 741
TRP A 329
GLY A 743
 IMD  A1885 (-3.5A)
None
None
 0.81A 4e7cA-5fjiA:
undetectable		 4e7cA-5fjiA:
18.85
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.
4EJW_A_SRYA2001_2
(TRANSCRIPTIONAL
REGULATOR TCAR)		 2qzc TRANSCRIPTIONAL
ACTIVATOR TENA-1
(Sulfolobus
solfataricus) 		4 / 6 ILE A  39
GLU A 198
HIS A  24
VAL A 143
 None
IMD  A 214 (-2.7A)
None
None
 1.12A 4ejwB-2qzcA:
undetectable		 4ejwB-2qzcA:
19.73
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.
4FEV_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3cc1 PUTATIVE
ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bacillus
halodurans) 		4 / 7 ASP A 285
ASP A  19
ASP A 183
ASP A  52
 None
None
IMD  A 437 ( 3.8A)
IMD  A 437 (-3.3A)
 1.20A 4fevB-3cc1A:
undetectable		 4fevB-3cc1A:
21.02
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.
4FEV_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3cc1 PUTATIVE
ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bacillus
halodurans) 		4 / 7 ASP A 285
ASP A  19
ASP A 183
ASP A  52
 None
None
IMD  A 437 ( 3.8A)
IMD  A 437 (-3.3A)
 1.21A 4fevD-3cc1A:
undetectable		 4fevD-3cc1A:
21.02
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.
4FEV_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3cc1 PUTATIVE
ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bacillus
halodurans) 		4 / 7 ASP A 285
ASP A  19
ASP A 183
ASP A  52
 None
None
IMD  A 437 ( 3.8A)
IMD  A 437 (-3.3A)
 1.21A 4fevF-3cc1A:
undetectable		 4fevF-3cc1A:
21.02
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.
4FEW_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3cc1 PUTATIVE
ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bacillus
halodurans) 		4 / 7 ASP A 285
ASP A  19
ASP A 183
ASP A  52
 None
None
IMD  A 437 ( 3.8A)
IMD  A 437 (-3.3A)
 1.21A 4fewB-3cc1A:
undetectable		 4fewB-3cc1A:
21.02
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.
4FEW_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3cc1 PUTATIVE
ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bacillus
halodurans) 		4 / 8 ASP A 285
ASP A  19
ASP A 183
ASP A  52
 None
None
IMD  A 437 ( 3.8A)
IMD  A 437 (-3.3A)
 1.22A 4fewF-3cc1A:
undetectable		 4fewF-3cc1A:
21.02
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.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 11 HIS A 129
ILE A 225
LEU A 394
ASP A 361
GLY A 362
 None
IMD  A 902 ( 4.3A)
None
UDP  A 900 ( 4.5A)
None
 1.04A 4fogC-1gz5A:
0.0		 4fogC-1gz5A:
21.37
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.
4GKH_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3cc1 PUTATIVE
ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bacillus
halodurans) 		4 / 8 ASP A 285
ASP A  19
ASP A 183
ASP A  52
 None
None
IMD  A 437 ( 3.8A)
IMD  A 437 (-3.3A)
 1.21A 4gkhB-3cc1A:
undetectable		 4gkhB-3cc1A:
21.02
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.
4GKH_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3cc1 PUTATIVE
ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bacillus
halodurans) 		4 / 8 ASP A 285
ASP A  19
ASP A 183
ASP A  52
 None
None
IMD  A 437 ( 3.8A)
IMD  A 437 (-3.3A)
 1.19A 4gkhD-3cc1A:
undetectable		 4gkhD-3cc1A:
21.02
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.
4GKH_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3cc1 PUTATIVE
ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bacillus
halodurans) 		4 / 7 ASP A 285
ASP A  19
ASP A 183
ASP A  52
 None
None
IMD  A 437 ( 3.8A)
IMD  A 437 (-3.3A)
 1.22A 4gkhG-3cc1A:
undetectable		 4gkhG-3cc1A:
21.02
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.
4GKH_J_KANJ301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3cc1 PUTATIVE
ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bacillus
halodurans) 		4 / 6 ASP A 285
ASP A  19
ASP A 183
ASP A  52
 None
None
IMD  A 437 ( 3.8A)
IMD  A 437 (-3.3A)
 1.24A 4gkhJ-3cc1A:
undetectable		 4gkhJ-3cc1A:
21.02
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.
4GKI_A_KANA301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3cc1 PUTATIVE
ALPHA-N-ACETYLGALACT
OSAMINIDASE
(Bacillus
halodurans) 		4 / 8 ASP A 285
ASP A  19
ASP A 183
ASP A  52
 None
None
IMD  A 437 ( 3.8A)
IMD  A 437 (-3.3A)
 1.22A 4gkiA-3cc1A:
undetectable		 4gkiA-3cc1A:
21.02
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.
4JQ4_B_IMNB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 3lah METHYL-ACCEPTING
CHEMOTAXIS PROTEIN
(Caldanaerobacter
subterraneus) 		5 / 10 TYR A 140
VAL A  48
ILE A  51
LEU A  16
LEU A  13
 IMD  A 501 (-4.4A)
None
None
None
None
 1.44A 4jq4B-3lahA:
undetectable		 4jq4B-3lahA:
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.
4JUO_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA)		 4zfm PUTATIVE
6-PHOSPHO-BETA-GALAC
TOBIOSIDASE
(Geobacillus
stearothermophil
us) 		3 / 4 SER A  82
GLY A  54
GLU A 453
 None
None
IMD  A 507 (-2.5A)
 0.62A 4juoA-4zfmA:
undetectable
4juoC-4zfmA:
undetectable		 4juoA-4zfmA:
20.85
4juoC-4zfmA:
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.
4KTT_A_SAMA405_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 3fvb BACTERIOFERRITIN
(Brucella
abortus) 		4 / 8 ALA A  97
GLU A 127
ASP A 132
ILE A 131
 IMD  A 171 (-3.4A)
FE  A 164 ( 2.5A)
None
None
 0.88A 4kttB-3fvbA:
undetectable		 4kttB-3fvbA:
17.97
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.
4KTT_C_SAMC404_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		4 / 8 HIS A 318
PRO A 314
SER A 336
PHE A 296
 FE  A1491 ( 3.5A)
IMD  A 600 ( 4.7A)
None
IMD  A 600 (-4.7A)
 1.16A 4kttC-4v06A:
undetectable		 4kttC-4v06A:
20.49
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.
4KTV_C_ADNC403_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		5 / 11 HIS A 318
PRO A 314
SER A 336
PHE A 296
ILE A 362
 FE  A1491 ( 3.5A)
IMD  A 600 ( 4.7A)
None
IMD  A 600 (-4.7A)
None
 1.22A 4ktvC-4v06A:
undetectable
4ktvD-4v06A:
undetectable		 4ktvC-4v06A:
20.49
4ktvD-4v06A:
20.49
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.
4M2X_A_TMQA202_2
(DIHYDROFOLATE
REDUCTASE)		 4o6i NUCLEOPROTEIN
(Lymphocytic
choriomeningitis
mammarenavirus) 		3 / 3 TRP A 380
GLN A 402
THR A 379
 IMD  A 606 (-4.3A)
None
None
 0.93A 4m2xA-4o6iA:
undetectable		 4m2xA-4o6iA:
22.17
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.
4NDN_A_SAMA407_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		4 / 8 HIS A 318
PRO A 314
SER A 336
PHE A 296
 FE  A1491 ( 3.5A)
IMD  A 600 ( 4.7A)
None
IMD  A 600 (-4.7A)
 1.20A 4ndnA-4v06A:
undetectable		 4ndnA-4v06A:
20.29
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.
4NDN_A_SAMA407_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 3fvb BACTERIOFERRITIN
(Brucella
abortus) 		4 / 8 ALA A  97
GLU A 127
ASP A 132
ILE A 131
 IMD  A 171 (-3.4A)
FE  A 164 ( 2.5A)
None
None
 0.89A 4ndnB-3fvbA:
undetectable		 4ndnB-3fvbA:
17.97
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.
4NDN_C_SAMC405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		4 / 7 HIS A 318
PRO A 314
SER A 336
PHE A 296
 FE  A1491 ( 3.5A)
IMD  A 600 ( 4.7A)
None
IMD  A 600 (-4.7A)
 1.20A 4ndnC-4v06A:
undetectable		 4ndnC-4v06A:
20.29
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.
4NDN_C_SAMC405_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 3fvb BACTERIOFERRITIN
(Brucella
abortus) 		4 / 8 ALA A  97
GLU A 127
ASP A 132
ILE A 131
 IMD  A 171 (-3.4A)
FE  A 164 ( 2.5A)
None
None
 0.88A 4ndnD-3fvbA:
undetectable		 4ndnD-3fvbA:
17.97
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.
4ODJ_A_SAMA500_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		4 / 7 HIS A 318
PRO A 314
SER A 336
PHE A 296
 FE  A1491 ( 3.5A)
IMD  A 600 ( 4.7A)
None
IMD  A 600 (-4.7A)
 1.24A 4odjA-4v06A:
undetectable		 4odjA-4v06A:
20.51
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.
4ODR_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA)		 3soy NTF2-LIKE
SUPERFAMILY PROTEIN
(Salmonella
enterica) 		5 / 11 LEU A  55
ILE A  58
LEU A 109
TYR A  96
ILE A  91
 None
IMD  A 182 ( 4.6A)
IMD  A 182 ( 4.6A)
None
None
 1.00A 4odrA-3soyA:
undetectable
4odrB-3soyA:
undetectable		 4odrA-3soyA:
21.77
4odrB-3soyA:
21.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		5 / 6 PHE A 287
HIS A 318
HIS A 323
TYR A 358
GLU A 363
 IMD  A 600 ( 4.4A)
FE  A1491 ( 3.5A)
FE  A1491 ( 3.3A)
None
FE  A1491 ( 2.0A)
 0.48A 4pahA-4v06A:
47.9		 4pahA-4v06A:
64.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q15_A_HFGA803_1
(PROLINE--TRNA LIGASE)		 3iuu PUTATIVE
METALLOPEPTIDASE
(Chelativorans
sp.
BNC1) 		3 / 3 GLU A  14
THR A 160
HIS A 162
 IMD  A 496 (-3.3A)
None
ZN  A 495 ( 3.3A)
 0.75A 4q15A-3iuuA:
3.8		 4q15A-3iuuA:
21.16
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.
4Q15_B_HFGB803_1
(PROLINE--TRNA LIGASE)		 3iuu PUTATIVE
METALLOPEPTIDASE
(Chelativorans
sp.
BNC1) 		3 / 3 GLU A  14
THR A 160
HIS A 162
 IMD  A 496 (-3.3A)
None
ZN  A 495 ( 3.3A)
 0.75A 4q15B-3iuuA:
1.6		 4q15B-3iuuA:
21.16
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.
4Q1X_A_017A101_1
(ASPARTYL PROTEASE)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 11 GLY A 389
ALA A 390
ILE A 434
GLY A 226
ILE A 225
 None
None
None
None
IMD  A 902 ( 4.3A)
 0.79A 4q1xA-1gz5A:
undetectable		 4q1xA-1gz5A:
11.72
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.
4Q5M_A_ROCA1101_1
(PROTEASE)		 4hvl MEMBRANE-ANCHORED
MYCOSIN MYCP1
(Mycolicibacteriu
m
thermoresistibil
e) 		5 / 12 GLY A 195
ILE A 188
THR A  39
VAL A 233
ILE A 201
 None
None
IMD  A 509 ( 3.8A)
None
None
 0.96A 4q5mA-4hvlA:
undetectable		 4q5mA-4hvlA:
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.
4QOI_A_ML1A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2z3t CYTOCHROME P450
(Streptomyces
sp.
TP-A0274) 		4 / 8 PHE A 357
PHE A 403
GLY A 255
ILE A 161
 HEM  A 500 (-4.5A)
IMD  A 501 (-4.7A)
HEM  A 500 (-3.6A)
None
 0.89A 4qoiA-2z3tA:
undetectable
4qoiB-2z3tA:
undetectable		 4qoiA-2z3tA:
20.42
4qoiB-2z3tA:
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.
4QT3_A_RAPA202_1
(FK506-BINDING
PROTEIN (FKBP)-TYPE
PEPTIDYL-PROPYL
ISOMERASE)		 2r5r UPF0343 PROTEIN
NE1163
(Nitrosomonas
europaea) 		5 / 10 ASP A 186
PHE A 181
GLU A  83
TYR A 109
ILE A 111
 None
IMD  A 270 (-4.5A)
None
None
None
 1.37A 4qt3A-2r5rA:
undetectable		 4qt3A-2r5rA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		5 / 12 ALA A 355
HIS A 318
GLU A 319
HIS A 323
GLU A 363
 None
FE  A1491 ( 3.5A)
IMD  A 600 (-3.3A)
FE  A1491 ( 3.3A)
FE  A1491 ( 2.0A)
 0.91A 4r7lA-4v06A:
undetectable		 4r7lA-4v06A:
18.77
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.
4RYA_A_MTLA501_1
(ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL))		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		3 / 3 GLU A 319
TYR A 358
GLU A 363
 IMD  A 600 (-3.3A)
None
FE  A1491 ( 2.0A)
 0.83A 4ryaA-4v06A:
undetectable		 4ryaA-4v06A:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_E_377E401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 5c6f BACTERIAL NON-HEME
FERRITIN
(Helicobacter
pylori) 		4 / 6 ASN A 102
GLU A  17
TYR A 123
LEU A 120
 None
FE  A 203 ( 4.7A)
IMD  A 204 (-3.7A)
None
 1.30A 4twdD-5c6fA:
4.2
4twdE-5c6fA:
3.9		 4twdD-5c6fA:
17.63
4twdE-5c6fA:
17.63
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.
4TWD_J_377J401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 5c6f BACTERIAL NON-HEME
FERRITIN
(Helicobacter
pylori) 		4 / 6 ASN A 102
GLU A  17
TYR A 123
LEU A 120
 None
FE  A 203 ( 4.7A)
IMD  A 204 (-3.7A)
None
 1.24A 4twdI-5c6fA:
undetectable
4twdJ-5c6fA:
undetectable		 4twdI-5c6fA:
17.63
4twdJ-5c6fA:
17.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V2G_B_CTCB222_0
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)
(Escherichia
coli) 		10 / 12 HIS A  64
SER A  67
ASN A  82
PHE A  86
HIS A 100
THR A 112
VAL A 113
GLN A 116
ILE A 134
SER A 138
 None
None
None
None
IMD  A   1 (-4.0A)
None
None
None
None
None
 0.62A 4v2gB-1qpiA:
25.4		 4v2gB-1qpiA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XI3_C_29SC601_1
(ESTROGEN RECEPTOR)		 2zc0 ALANINE GLYOXYLATE
TRANSAMINASE
(Thermococcus
litoralis) 		5 / 12 THR A 135
LEU A 137
ALA A 138
LEU A 142
GLY A 106
 None
IMD  A 410 (-4.6A)
None
None
PMP  A 409 (-2.8A)
 0.96A 4xi3C-2zc0A:
undetectable		 4xi3C-2zc0A:
22.89
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.
4XP3_A_DX4A401_0
(MITOGEN-ACTIVATED
PROTEIN KINASE 1)		 3hdj PROBABLE ORNITHINE
CYCLODEAMINASE
(Bordetella
pertussis) 		4 / 6 ALA A  24
GLN A  59
LEU A  27
LEU A 288
 IMD  A 317 (-3.6A)
IMD  A 317 (-3.5A)
None
None
 1.25A 4xp3A-3hdjA:
undetectable		 4xp3A-3hdjA:
20.11
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.
4YDQ_B_HFGB802_1
(PROLINE--TRNA LIGASE)		 3iuu PUTATIVE
METALLOPEPTIDASE
(Chelativorans
sp.
BNC1) 		3 / 3 GLU A  14
THR A 160
HIS A 162
 IMD  A 496 (-3.3A)
None
ZN  A 495 ( 3.3A)
 0.81A 4ydqB-3iuuA:
1.6		 4ydqB-3iuuA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YMG_B_SAMB1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 4zfm PUTATIVE
6-PHOSPHO-BETA-GALAC
TOBIOSIDASE
(Geobacillus
stearothermophil
us) 		5 / 12 TYR A  64
TYR A  22
ASP A  59
ALA A  57
TYR A 437
 None
None
IMD  A 507 (-3.4A)
None
None
 1.37A 4ymgB-4zfmA:
undetectable		 4ymgB-4zfmA:
19.63
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.
4YOA_A_017A100_1
(HIV-1 PROTEASE)		 4bf7 ARABINOGALACTAN
ENDO-1,4-BETA-GALACT
OSIDASE A
(Aspergillus
nidulans) 		4 / 6 ASN A 153
ASP A 149
THR A 199
THR A 201
 ZN  A 404 ( 4.3A)
None
None
IMD  A1342 (-4.1A)
 0.94A 4yoaA-4bf7A:
undetectable		 4yoaA-4bf7A:
14.20
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.
4ZVM_B_DM2B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3iuu PUTATIVE
METALLOPEPTIDASE
(Chelativorans
sp.
BNC1) 		5 / 11 VAL A 232
PHE A 462
GLY A 305
GLY A 307
GLU A  14
 None
None
SO4  A 497 ( 4.7A)
None
IMD  A 496 (-3.3A)
 1.31A 4zvmA-3iuuA:
5.4
4zvmB-3iuuA:
5.8		 4zvmA-3iuuA:
20.16
4zvmB-3iuuA:
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.
5A1I_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		4 / 7 HIS A 318
PRO A 314
SER A 336
PHE A 296
 FE  A1491 ( 3.5A)
IMD  A 600 ( 4.7A)
None
IMD  A 600 (-4.7A)
 1.24A 5a1iA-4v06A:
undetectable		 5a1iA-4v06A:
20.29
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.
5D4U_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 12 GLY A  22
ILE A  27
HIS A 129
GLY A  29
PHE A 152
 IMD  A 902 (-3.0A)
None
None
None
None
 1.09A 5d4uA-1gz5A:
undetectable		 5d4uA-1gz5A:
20.48
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.
5ECM_A_LEUA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 3jtj 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE
(Yersinia
pestis) 		4 / 5 ALA A 124
THR A 125
TYR A 185
HIS A 222
 None
None
IMD  A 301 (-3.9A)
None
 1.36A 5ecmA-3jtjA:
undetectable		 5ecmA-3jtjA:
18.95
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.
5G44_A_YTZA1512_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		 4hvl MEMBRANE-ANCHORED
MYCOSIN MYCP1
(Mycolicibacteriu
m
thermoresistibil
e) 		5 / 9 LEU A 194
LEU A 151
ALA A 225
VAL A 233
ALA A  89
 IMD  A 508 ( 4.4A)
None
None
None
None
 1.40A 5g44A-4hvlA:
undetectable		 5g44A-4hvlA:
16.97
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.
5H2U_A_1N1A501_2
(PROTEIN-TYROSINE
KINASE 6)		 3iuu PUTATIVE
METALLOPEPTIDASE
(Chelativorans
sp.
BNC1) 		3 / 3 ILE A  75
MET A 304
ASP A  27
 None
IMD  A 496 ( 4.6A)
None
 0.82A 5h2uA-3iuuA:
undetectable		 5h2uA-3iuuA:
20.81
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.
5HBS_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 3cgx PUTATIVE
NUCLEOTIDE-DIPHOSPHO
-SUGAR TRANSFERASE
(Desulfovibrio
alaskensis) 		5 / 12 TYR A  35
VAL A 191
LEU A 200
SER A 212
LEU A  72
 IMD  A 242 (-3.8A)
None
None
None
None
 1.18A 5hbsA-3cgxA:
undetectable		 5hbsA-3cgxA:
17.36
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.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 6g7x -
(-) 		5 / 9 MET A  64
ARG A  87
GLY A  92
MET A 180
GLU A 181
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.49A 5i3cA-6g7xA:
38.4		 5i3cA-6g7xA:
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.
5I3C_B_AC2B301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 6g7x -
(-) 		5 / 10 MET A  64
GLY A  92
GLU A 179
MET A 180
GLU A 181
 None
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.33A 5i3cB-6g7xA:
38.8		 5i3cB-6g7xA:
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.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 6g7x -
(-) 		6 / 11 MET A  64
GLY A  92
GLU A 179
MET A 180
GLU A 181
ASP A 204
 None
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.77A 5i3cC-6g7xA:
38.5		 5i3cC-6g7xA:
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.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 6g7x -
(-) 		6 / 11 MET A  64
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.44A 5i3cC-6g7xA:
38.5		 5i3cC-6g7xA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IEN_A_VDYA201_2
(CDL2.2)		 3hx8 PUTATIVE KETOSTEROID
ISOMERASE
(Mesorhizobium
loti) 		7 / 12 TYR A  52
LEU A  75
LEU A  89
LEU A 109
PRO A 112
TYR A 125
LEU A 139
 None
None
IMD  A   5 ( 4.4A)
UNL  A 200 (-4.9A)
None
IMD  A   4 ( 3.6A)
None
 0.63A 5ienA-3hx8A:
22.4		 5ienA-3hx8A:
89.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IEO_A_VDYA206_1
(CDL2.3A)		 3hx8 PUTATIVE KETOSTEROID
ISOMERASE
(Mesorhizobium
loti) 		5 / 12 PHE A  36
TYR A  52
LEU A  75
TRP A  76
PHE A 107
 IMD  A   4 (-3.6A)
None
None
UNL  A 200 (-4.9A)
UNL  A 200 (-3.6A)
 0.87A 5ieoA-3hx8A:
20.1		 5ieoA-3hx8A:
82.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IEP_A_VDYA201_1
(CDL2.3B)		 3hx8 PUTATIVE KETOSTEROID
ISOMERASE
(Mesorhizobium
loti) 		5 / 12 PHE A  36
TYR A  52
LEU A  75
TRP A  76
PHE A 107
 IMD  A   4 (-3.6A)
None
None
UNL  A 200 (-4.9A)
UNL  A 200 (-3.6A)
 0.87A 5iepA-3hx8A:
20.8		 5iepA-3hx8A:
85.27
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.
5J6H_A_NCAA402_0
(H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN, Q10 ALPHA
CHAIN)		 4o6i NUCLEOPROTEIN
(Lymphocytic
choriomeningitis
mammarenavirus) 		3 / 3 PRO A 535
ARG A 533
GLU A 527
 None
None
IMD  A 606 (-3.2A)
 0.76A 5j6hA-4o6iA:
undetectable		 5j6hA-4o6iA:
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.
5KXI_A_NCTA402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)		 3dkq PKHD-TYPE
HYDROXYLASE
SBAL_3634
(Shewanella
baltica) 		4 / 8 TYR A 125
THR A 160
TYR A  87
LEU A 130
 None
None
None
IMD  A 502 (-4.8A)
 1.48A 5kxiA-3dkqA:
4.6
5kxiB-3dkqA:
4.7		 5kxiA-3dkqA:
21.27
5kxiB-3dkqA:
18.20
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.
5KXI_D_NCTD402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)		 3dkq PKHD-TYPE
HYDROXYLASE
SBAL_3634
(Shewanella
baltica) 		4 / 8 TYR A 125
THR A 160
TYR A  87
LEU A 130
 None
None
None
IMD  A 502 (-4.8A)
 1.49A 5kxiD-3dkqA:
5.2
5kxiE-3dkqA:
4.7		 5kxiD-3dkqA:
21.27
5kxiE-3dkqA:
18.20
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.
5N5D_A_SAMA306_1
(METHYLTRANSFERASE)		 4wat PFRH5
(Plasmodium
falciparum) 		4 / 7 LEU A 479
SER A 485
ILE A 235
GLU A 416
 None
IMD  A1102 (-3.0A)
None
None
 1.05A 5n5dA-4watA:
undetectable		 5n5dA-4watA:
15.76
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.
5T8S_B_SAMB402_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 3fvb BACTERIOFERRITIN
(Brucella
abortus) 		4 / 8 ALA A  97
GLU A 127
ASP A 132
ILE A 131
 IMD  A 171 (-3.4A)
FE  A 164 ( 2.5A)
None
None
 0.94A 5t8sA-3fvbA:
undetectable		 5t8sA-3fvbA:
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.
5TDZ_A_ADNA905_1
(ATP-CITRATE SYNTHASE)		 1v0m ENDO-1,4-BETA-XYLANA
SE A
(Streptomyces
lividans) 		4 / 6 ARG A  14
ARG A 219
LEU A 222
ASP A 253
 IMD  A1305 (-3.6A)
None
None
None
 1.20A 5tdzA-1v0mA:
2.5		 5tdzA-1v0mA:
21.02
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.
5TIW_A_OAQA302_0
(SULFOTRANSFERASE)		 4bcx AP-1 COMPLEX SUBUNIT
GAMMA-LIKE 2
(Homo
sapiens) 		5 / 12 ILE A 696
LEU A 748
VAL A 717
LEU A 682
LEU A 759
 None
None
IMD  A1786 ( 4.8A)
None
None
 1.22A 5tiwA-4bcxA:
undetectable		 5tiwA-4bcxA:
21.13
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.
5UL4_A_SAMA803_0
(OXSB PROTEIN)		 2nqc FILAMIN-C
(Homo
sapiens) 		5 / 12 ALA A2570
GLY A2494
GLY A2492
ILE A2507
LEU A2518
 None
None
None
None
IMD  A 201 (-4.5A)
 1.05A 5ul4A-2nqcA:
undetectable		 5ul4A-2nqcA:
12.08
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.
5V1T_A_SAMA605_0
(RADICAL SAM)		 5kvc HALOHYDRIN
DEHALOGENASE
(Agrobacterium
tumefaciens) 		5 / 12 LEU A 155
SER A  78
TYR A 145
THR A 134
GLU A 102
 None
None
IMD  A 302 (-4.5A)
IMD  A 302 (-4.0A)
EDO  A 308 (-3.5A)
 1.30A 5v1tA-5kvcA:
undetectable		 5v1tA-5kvcA:
20.88
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.
5VKQ_B_PCFB1802_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 4qme AMINOPEPTIDASE N
(Neisseria
meningitidis) 		4 / 7 SER A 201
THR A 199
PHE A 197
VAL A 205
 None
IMD  A 911 ( 4.2A)
GOL  A 909 (-4.5A)
IMD  A 911 ( 4.4A)
 1.24A 5vkqA-4qmeA:
3.2
5vkqB-4qmeA:
3.1		 5vkqA-4qmeA:
20.39
5vkqB-4qmeA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_D_PCFD1803_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 4qme AMINOPEPTIDASE N
(Neisseria
meningitidis) 		4 / 7 SER A 201
THR A 199
PHE A 197
VAL A 205
 None
IMD  A 911 ( 4.2A)
GOL  A 909 (-4.5A)
IMD  A 911 ( 4.4A)
 1.21A 5vkqC-4qmeA:
3.2
5vkqD-4qmeA:
3.2		 5vkqC-4qmeA:
20.39
5vkqD-4qmeA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WAU_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		4 / 5 PHE A 335
PHE A 332
LEU A 327
PHE A 296
 None
None
None
IMD  A 600 (-4.7A)
 1.34A 5wauC-4v06A:
undetectable
5wauJ-4v06A:
undetectable		 5wauC-4v06A:
21.41
5wauJ-4v06A:
11.89
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.
5WAU_C_CHDC308_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		4 / 5 PHE A 335
PHE A 332
LEU A 327
PHE A 296
 None
None
None
IMD  A 600 (-4.7A)
 1.32A 5wauc-4v06A:
undetectable
5wauj-4v06A:
undetectable		 5wauc-4v06A:
21.41
5wauj-4v06A:
11.89
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.
5X1B_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 3r3q SUPPRESSOR PROTEIN
STP22 OF
TEMPERATURE-SENSITIV
E ALPHA-FACTOR
RECEPTOR AND
ARGININE PERMEASE
(Saccharomyces
cerevisiae) 		4 / 5 LEU A  17
PHE A  18
PHE A  32
LEU A  36
 None
None
None
IMD  A 171 (-4.6A)
 1.11A 5x1bP-3r3qA:
undetectable		 5x1bP-3r3qA:
19.09
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.
5XDQ_C_CHDC308_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		4 / 5 PHE A 335
PHE A 332
LEU A 327
PHE A 296
 None
None
None
IMD  A 600 (-4.7A)
 1.28A 5xdqC-4v06A:
undetectable
5xdqJ-4v06A:
undetectable		 5xdqC-4v06A:
21.41
5xdqJ-4v06A:
11.89
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.
5XDQ_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		4 / 5 PHE A 335
PHE A 332
LEU A 327
PHE A 296
 None
None
None
IMD  A 600 (-4.7A)
 1.30A 5xdqP-4v06A:
undetectable
5xdqW-4v06A:
undetectable		 5xdqP-4v06A:
21.41
5xdqW-4v06A:
11.89
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.
5ZHM_B_SAMB301_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 3pfe SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE
(Legionella
pneumophila) 		6 / 12 LEU A 448
GLY A 131
GLU A 162
SER A 439
GLY A 126
GLY A 127
 None
None
ZN  A 501 (-3.9A)
IMD  A 513 ( 4.6A)
None
None
 1.26A 5zhmB-3pfeA:
undetectable		 5zhmB-3pfeA:
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.
5ZRD_C_CUC605_0
(TYROSINASE)		 4gr8 MACROPHAGE
METALLOELASTASE
(Homo
sapiens) 		4 / 5 HIS A 183
HIS A 168
HIS A 196
PHE A 185
 ZN  A 302 (-3.2A)
ZN  A 302 (-3.2A)
ZN  A 302 (-3.1A)
IMD  A 307 (-3.7A)
 1.27A 5zrdC-4gr8A:
undetectable		 5zrdC-4gr8A:
16.48
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.
6APH_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)		 5u2w SHORT CHAIN
DEHYDROGENASE
(Burkholderia
cenocepacia) 		4 / 5 GLN A 203
THR A 239
HIS A 184
LEU A 143
 IMD  A 304 ( 4.4A)
None
None
IMD  A 304 (-4.7A)
 1.44A 6aphA-5u2wA:
9.0		 6aphA-5u2wA:
23.32
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.
6B58_A_ACTA606_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 3k9t PUTATIVE PEPTIDASE
(Clostridium
acetobutylicum) 		4 / 5 GLU A 226
ASP A 195
HIS A 324
THR A 251
 IMD  A 438 (-2.6A)
ZN  A 435 ( 2.3A)
ZN  A 435 ( 3.2A)
None
 1.20A 6b58A-3k9tA:
undetectable		 6b58A-3k9tA:
20.10
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.
6C2M_D_SUED1202_1
(NS3 PROTEASE)		 1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)
(Escherichia
coli) 		4 / 9 VAL A  99
HIS A 100
LEU A  16
VAL A   9
 None
IMD  A   1 (-4.0A)
None
None
 0.83A 6c2mD-1qpiA:
undetectable		 6c2mD-1qpiA:
17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CBZ_B_ESTB602_1
(ESTROGEN RECEPTOR)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 10 ALA A  11
GLU A  15
LEU A  28
ILE A 225
HIS A 154
 None
None
None
IMD  A 902 ( 4.3A)
IMD  A 902 (-3.9A)
 1.37A 6cbzB-1gz5A:
undetectable		 6cbzB-1gz5A:
11.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DEB_B_MTXB303_1
(BIFUNCTIONAL PROTEIN
FOLD)		 3l07 BIFUNCTIONAL PROTEIN
FOLD
(Francisella
tularensis) 		5 / 5 TYR A  48
LYS A  52
GLN A  96
GLY A 210
ILE A 231
 None
None
None
None
IMD  A 503 ( 4.6A)
 0.75A 6debB-3l07A:
42.2		 6debB-3l07A:
50.62
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.
6DIL_B_TPVB201_1
(HIV-1 PROTEASE)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		5 / 12 GLY A 389
ALA A 390
ILE A 434
GLY A 226
ILE A 225
 None
None
None
None
IMD  A 902 ( 4.3A)
 0.87A 6dilB-1gz5A:
undetectable		 6dilB-1gz5A:
10.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FBN_B_SAMB401_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 3fvb BACTERIOFERRITIN
(Brucella
abortus) 		4 / 7 ALA A  97
GLU A 127
ASP A 132
ILE A 131
 IMD  A 171 (-3.4A)
FE  A 164 ( 2.5A)
None
None
 0.92A 6fbnA-3fvbA:
undetectable		 6fbnA-3fvbA:
17.97
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.
6FBP_B_ADNB404_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		5 / 12 ILE A 362
HIS A 318
PRO A 314
SER A 336
PHE A 296
 None
FE  A1491 ( 3.5A)
IMD  A 600 ( 4.7A)
None
IMD  A 600 (-4.7A)
 1.21A 6fbpA-4v06A:
undetectable
6fbpB-4v06A:
undetectable		 6fbpA-4v06A:
13.88
6fbpB-4v06A:
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.
6FCB_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		4 / 8 HIS A 318
PRO A 314
SER A 336
PHE A 296
 FE  A1491 ( 3.5A)
IMD  A 600 ( 4.7A)
None
IMD  A 600 (-4.7A)
 1.13A 6fcbA-4v06A:
undetectable		 6fcbA-4v06A:
19.81
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.
6G6R_A_SAMA406_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		4 / 7 HIS A 318
PRO A 314
SER A 336
PHE A 296
 FE  A1491 ( 3.5A)
IMD  A 600 ( 4.7A)
None
IMD  A 600 (-4.7A)
 1.24A 6g6rA-4v06A:
undetectable		 6g6rA-4v06A:
20.29
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.
6GBN_B_ADNB501_2
(-)		 5u2w SHORT CHAIN
DEHYDROGENASE
(Burkholderia
cenocepacia) 		4 / 5 GLN A 203
THR A 239
HIS A 184
LEU A 143
 IMD  A 304 ( 4.4A)
None
None
IMD  A 304 (-4.7A)
 1.41A 6gbnB-5u2wA:
3.1		 6gbnB-5u2wA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_B_QPSB601_2
(-)		 1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE
(Escherichia
coli) 		6 / 12 GLY A  21
GLY A  22
LEU A  23
GLY A 301
HIS A 132
ARG A 262
 UDP  A 900 (-3.4A)
IMD  A 902 (-3.0A)
G6P  A 901 ( 3.7A)
None
G6P  A 901 (-4.5A)
UDP  A 900 ( 3.8A)
 1.16A 6gngB-1gz5A:
22.1		 6gngB-1gz5A:
22.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6PAH_A_DAHA600_1
(PHENYLALANINE
4-MONOOXYGENASE)		 4v06 TRYPTOPHAN
5-HYDROXYLASE 2
(Homo
sapiens) 		5 / 6 PRO A 314
HIS A 318
HIS A 323
TYR A 358
GLU A 363
 IMD  A 600 ( 4.7A)
FE  A1491 ( 3.5A)
FE  A1491 ( 3.3A)
None
FE  A1491 ( 2.0A)
 0.48A 6pahA-4v06A:
47.7		 6pahA-4v06A:
64.56