SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'IOD'


List of Similar Pattern of Amino Acids


Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD Dali
Z-score
Seq.
Identity (%)
View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_C_DCFC1353_2
(ADENOSINE DEAMINASE)
6an0 HISTIDINOL
DEHYDROGENASE

(Elizabethkingia
anophelis)
4 / 5 LEU A 278
LEU A 274
LEU A 306
GLY A 303
None
None
IOD  A 509 ( 4.6A)
None
0.99A 1a4lC-6an0A:
undetectable
1a4lC-6an0A:
22.95
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.
1AV2_C_DVAC6_0
(GRAMICIDIN A)
6ax6 PROCOLLAGEN LYSYL
HYDROXYLASE AND
GLYCOSYLTRANSFERASE

(Acanthamoeba
polyphaga
mimivirus)
3 / 3 ALA A 791
VAL A 785
TRP A 782
IOD  A 902 ( 3.9A)
None
None
0.88A 1av2C-6ax6A:
undetectable
1av2D-6ax6A:
undetectable
1av2C-6ax6A:
undetectable
1av2D-6ax6A:
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.
1DDS_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)
4bh5 MUREIN HYDROLASE
ACTIVATOR ENVC

(Escherichia
coli)
5 / 12 ILE A 386
ALA A 344
LEU A 365
SER A 392
LEU A 400
None
None
None
IOD  A1421 ( 4.9A)
None
1.20A 1ddsB-4bh5A:
undetectable
1ddsB-4bh5A:
22.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DMY_A_AZMA400_1
(MURINE CARBONIC
ANHYDRASE V)
4e9o IMV MEMBRANE PROTEIN
(Vaccinia
virus)
5 / 11 HIS X  67
VAL X  94
TYR X 104
LEU X 114
TRP X 182
IOD  X 309 (-4.6A)
IOD  X 310 ( 4.9A)
None
None
None
0.81A 1dmyA-4e9oX:
33.0
1dmyA-4e9oX:
33.71
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.
1DRF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)
6b4m MONOTREME LACTATION
PROTEIN

(Ornithorhynchus
anatinus)
5 / 12 LEU A 159
PHE A 142
PHE A 141
ILE A  51
LEU A  41
None
None
None
None
IOD  A 403 ( 4.8A)
1.11A 1drfA-6b4mA:
undetectable
1drfA-6b4mA:
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.
1E7A_B_PFLB4001_1
(SERUM ALBUMIN)
4kca ENDO-1,5-ALPHA-L-ARA
BINANASE

(Bos
taurus)
5 / 9 ASN A 628
PHE A 555
VAL A 451
GLY A 450
LEU A 625
None
None
None
None
IOD  A 708 ( 4.7A)
1.15A 1e7aB-4kcaA:
undetectable
1e7aB-4kcaA:
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.
1E7B_A_HLTA4001_1
(SERUM ALBUMIN)
4lis UDP-GLUCOSE
4-EPIMERASE

(Aspergillus
nidulans)
4 / 5 ARG A 312
ALA A 249
ASP A 241
GLY A 247
IOD  A 405 (-3.7A)
UPG  A 401 (-3.2A)
None
None
0.94A 1e7bA-4lisA:
undetectable
1e7bA-4lisA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7B_A_HLTA4003_1
(SERUM ALBUMIN)
4kca ENDO-1,5-ALPHA-L-ARA
BINANASE

(Bos
taurus)
5 / 9 ASN A 628
PHE A 555
VAL A 451
GLY A 450
LEU A 625
None
None
None
None
IOD  A 708 ( 4.7A)
1.10A 1e7bA-4kcaA:
undetectable
1e7bA-4kcaA:
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.
1E7C_A_HLTA4001_1
(SERUM ALBUMIN)
4lis UDP-GLUCOSE
4-EPIMERASE

(Aspergillus
nidulans)
4 / 5 ARG A 312
ALA A 249
ASP A 241
GLY A 247
IOD  A 405 (-3.7A)
UPG  A 401 (-3.2A)
None
None
0.94A 1e7cA-4lisA:
undetectable
1e7cA-4lisA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQG_A_IBPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae)
5 / 9 VAL A 108
LEU A 112
ILE A 131
ALA A  69
LEU A  70
None
None
None
None
IOD  A 471 ( 4.6A)
1.15A 1eqgA-1xp4A:
undetectable
1eqgA-1xp4A:
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.
1EQU_A_EQIA329_0
(PROTEIN (ESTRADIOL
17
BETA-DEHYDROGENASE
1))
5jyd SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia)
5 / 10 SER A 206
VAL A 207
TYR A 219
GLY A 250
PRO A 251
NAD  A 901 (-3.1A)
None
NAD  A 901 (-4.6A)
IOD  A 903 (-4.5A)
IOD  A 903 (-4.4A)
0.64A 1equA-5jydA:
25.7
1equA-5jydA:
21.90
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.
1FDS_A_ESTA350_1
(17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE)
5jyd SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia)
5 / 12 SER A 206
VAL A 207
TYR A 219
GLY A 250
PRO A 251
NAD  A 901 (-3.1A)
None
NAD  A 901 (-4.6A)
IOD  A 903 (-4.5A)
IOD  A 903 (-4.4A)
0.42A 1fdsA-5jydA:
25.4
1fdsA-5jydA:
21.90
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.
1FDU_A_ESTA351_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)
5jyd SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia)
5 / 12 SER A 206
VAL A 207
TYR A 219
GLY A 250
PRO A 251
NAD  A 901 (-3.1A)
None
NAD  A 901 (-4.6A)
IOD  A 903 (-4.5A)
IOD  A 903 (-4.4A)
0.64A 1fduA-5jydA:
25.6
1fduA-5jydA:
21.90
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.
1FDU_C_ESTC353_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)
5jyd SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia)
5 / 12 SER A 206
VAL A 207
TYR A 219
GLY A 250
PRO A 251
NAD  A 901 (-3.1A)
None
NAD  A 901 (-4.6A)
IOD  A 903 (-4.5A)
IOD  A 903 (-4.4A)
0.61A 1fduC-5jydA:
25.4
1fduC-5jydA:
21.90
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.
1FKP_A_NVPA999_1
(HIV-1 RT, A-CHAIN)
5dn5 PEPTIDOGLYCAN
HYDROLASE FLGJ

(Salmonella
enterica)
5 / 11 PRO A 162
LEU A 178
VAL A 203
GLY A 188
LEU A 156
IOD  A 401 ( 4.5A)
None
None
None
None
1.38A 1fkpA-5dn5A:
undetectable
1fkpA-5dn5A:
15.25
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.
1FML_A_RTLA401_0
(RETINOL DEHYDRATASE)
4ph3 BLV CAPSID
(Bovine
leukemia
virus)
5 / 12 LEU A  97
SER A 101
HIS A  70
LEU A  74
ILE A  78
None
None
None
None
IOD  A 207 ( 4.4A)
1.18A 1fmlA-4ph3A:
undetectable
1fmlA-4ph3A:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FML_B_RTLB501_0
(RETINOL DEHYDRATASE)
4ph3 BLV CAPSID
(Bovine
leukemia
virus)
5 / 12 LEU A  97
SER A 101
HIS A  70
LEU A  74
ILE A  78
None
None
None
None
IOD  A 207 ( 4.4A)
1.18A 1fmlB-4ph3A:
undetectable
1fmlB-4ph3A:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FMO_E_ADNE351_1
(CAMP-DEPENDENT
PROTEIN KINASE)
4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo
sapiens)
7 / 12 LEU A  15
GLY A  16
VAL A  23
ALA A  36
VAL A  68
ASN A 140
THR A 156
BX7  A 401 (-3.7A)
BX7  A 401 ( 3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
None
IOD  A 402 ( 3.4A)
0.57A 1fmoE-4eutA:
21.7
1fmoE-4eutA:
26.41
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.
1FMO_E_ADNE351_1
(CAMP-DEPENDENT
PROTEIN KINASE)
4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo
sapiens)
7 / 12 LEU A  15
VAL A  23
ALA A  36
VAL A  68
ASN A 140
THR A 156
ASP A 157
BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
None
IOD  A 402 ( 3.4A)
BX7  A 401 ( 3.7A)
0.74A 1fmoE-4eutA:
21.7
1fmoE-4eutA:
26.41
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.
1FMO_E_ADNE351_1
(CAMP-DEPENDENT
PROTEIN KINASE)
4euu SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo
sapiens)
7 / 12 LEU A  15
GLY A  16
VAL A  23
ALA A  36
VAL A  68
THR A 156
ASP A 157
BX7  A 401 (-3.9A)
BX7  A 401 ( 3.8A)
BX7  A 401 ( 4.6A)
BX7  A 401 (-3.4A)
None
IOD  A 402 ( 3.5A)
BX7  A 401 (-3.6A)
0.65A 1fmoE-4euuA:
26.3
1fmoE-4euuA:
26.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FMO_E_ADNE351_1
(CAMP-DEPENDENT
PROTEIN KINASE)
4euu SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo
sapiens)
7 / 12 LEU A  15
VAL A  23
ALA A  36
VAL A  68
ASN A 140
THR A 156
ASP A 157
BX7  A 401 (-3.9A)
BX7  A 401 ( 4.6A)
BX7  A 401 (-3.4A)
None
None
IOD  A 402 ( 3.5A)
BX7  A 401 (-3.6A)
0.74A 1fmoE-4euuA:
26.3
1fmoE-4euuA:
26.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)
5jvf SITE-DETERMINING
PROTEIN

(Pseudomonas
aeruginosa)
4 / 7 MET A  99
PHE A 139
ALA A  67
ILE A  70
None
None
IOD  A 304 ( 4.2A)
None
1.06A 1fxhA-5jvfA:
undetectable
1fxhB-5jvfA:
undetectable
1fxhA-5jvfA:
23.00
1fxhB-5jvfA:
19.58
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.
1HBP_A_RTLA184_0
(RETINOL BINDING
PROTEIN)
5t12 PHOSPHOENOLPYRUVATE-
-PROTEIN
PHOSPHOTRANSFERASE

(Escherichia
coli)
5 / 11 LEU A 306
ALA A 284
ALA A 280
VAL A 272
GLN A 303
None
None
None
None
IOD  A 501 ( 4.4A)
1.25A 1hbpA-5t12A:
undetectable
1hbpA-5t12A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HPV_B_478B200_1
(HIV-1 PROTEASE)
1oxx ABC TRANSPORTER, ATP
BINDING PROTEIN

(Sulfolobus
solfataricus)
5 / 9 GLY K 249
VAL K 265
ILE K 347
GLY K 275
ILE K 235
None
None
None
None
IOD  K1921 (-4.4A)
0.96A 1hpvA-1oxxK:
undetectable
1hpvA-1oxxK:
14.86
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.
1HWI_C_115C4_1
(HMG-COA REDUCTASE)
3s6l HEP_HAG FAMILY
(Burkholderia
pseudomallei)
4 / 7 VAL A  11
SER A  20
ASN A  26
ASP A  18
IOD  A 175 ( 4.6A)
None
IOD  A 184 (-3.7A)
None
1.23A 1hwiC-3s6lA:
undetectable
1hwiC-3s6lA:
19.16
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.
1HWI_D_115D3_2
(HMG-COA REDUCTASE)
3s6l HEP_HAG FAMILY
(Burkholderia
pseudomallei)
4 / 7 VAL A  11
SER A  20
ASN A  26
ASP A  18
IOD  A 175 ( 4.6A)
None
IOD  A 184 (-3.7A)
None
1.23A 1hwiD-3s6lA:
undetectable
1hwiD-3s6lA:
19.16
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.
1I7Q_A_BEZA1501_0
(ANTHRANILATE
SYNTHASE)
4jxj RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Rickettsia
bellii)
5 / 11 GLY A  52
THR A  53
GLU A  72
LEU A  91
ARG A  58
None
None
None
None
IOD  A 302 ( 4.9A)
1.42A 1i7qA-4jxjA:
undetectable
1i7qA-4jxjA:
22.22
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.
1I9G_A_SAMA301_0
(HYPOTHETICAL PROTEIN
RV2118C)
3pfd ACYL-COA
DEHYDROGENASE

(Mycolicibacteriu
m
thermoresistibil
e)
5 / 12 GLY A 240
SER A 191
ALA A 179
ASP A 249
LEU A 248
None
IOD  A 410 ( 4.9A)
None
None
None
1.06A 1i9gA-3pfdA:
undetectable
1i9gA-3pfdA:
21.73
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.
1JTX_A_CVIA200_0
(HYPOTHETICAL
TRANSCRIPTIONAL
REGULATOR IN QACA
5'REGION)
3pfd ACYL-COA
DEHYDROGENASE

(Mycolicibacteriu
m
thermoresistibil
e)
5 / 12 ILE A 234
ILE A 233
ALA A 187
ASN A 188
THR A 181
None
None
None
None
IOD  A 410 (-4.4A)
1.11A 1jtxA-3pfdA:
2.1
1jtxA-3pfdA:
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.
1KIA_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)
4gg2 GAMMA-GLUTAMYLTRANSP
EPTIDASE 1 HEAVY
CHAIN

(Homo
sapiens)
5 / 12 TYR A 229
ILE A 241
VAL A 132
ALA A 258
GLY A  86
None
None
None
IOD  A 408 (-4.0A)
None
1.20A 1kiaB-4gg2A:
undetectable
1kiaB-4gg2A:
24.37
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.
1KIF_A_BEZA349_0
(D-AMINO ACID OXIDASE)
5jsi BACTERIORHODOPSIN
(Candidatus
Actinomarina
minuta)
4 / 5 TYR A  70
ILE A 109
ARG A 188
GLY A 175
None
LYR  A 200 ( 4.8A)
IOD  A 316 (-3.6A)
None
1.33A 1kifA-5jsiA:
undetectable
1kifA-5jsiA:
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.
1KIF_B_BEZB349_0
(D-AMINO ACID OXIDASE)
5jsi BACTERIORHODOPSIN
(Candidatus
Actinomarina
minuta)
4 / 5 TYR A  70
ILE A 109
ARG A 188
GLY A 175
None
LYR  A 200 ( 4.8A)
IOD  A 316 (-3.6A)
None
1.33A 1kifB-5jsiA:
undetectable
1kifB-5jsiA:
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.
1KIF_C_BEZC349_0
(D-AMINO ACID OXIDASE)
5jsi BACTERIORHODOPSIN
(Candidatus
Actinomarina
minuta)
4 / 5 TYR A  70
ILE A 109
ARG A 188
GLY A 175
None
LYR  A 200 ( 4.8A)
IOD  A 316 (-3.6A)
None
1.34A 1kifC-5jsiA:
undetectable
1kifC-5jsiA:
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.
1KIF_D_BEZD349_0
(D-AMINO ACID OXIDASE)
5jsi BACTERIORHODOPSIN
(Candidatus
Actinomarina
minuta)
4 / 5 TYR A  70
ILE A 109
ARG A 188
GLY A 175
None
LYR  A 200 ( 4.8A)
IOD  A 316 (-3.6A)
None
1.34A 1kifD-5jsiA:
undetectable
1kifD-5jsiA:
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.
1KIF_E_BEZE349_0
(D-AMINO ACID OXIDASE)
5jsi BACTERIORHODOPSIN
(Candidatus
Actinomarina
minuta)
4 / 5 TYR A  70
ILE A 109
ARG A 188
GLY A 175
None
LYR  A 200 ( 4.8A)
IOD  A 316 (-3.6A)
None
1.34A 1kifE-5jsiA:
undetectable
1kifE-5jsiA:
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.
1KIF_F_BEZF349_0
(D-AMINO ACID OXIDASE)
5jsi BACTERIORHODOPSIN
(Candidatus
Actinomarina
minuta)
4 / 5 TYR A  70
ILE A 109
ARG A 188
GLY A 175
None
LYR  A 200 ( 4.8A)
IOD  A 316 (-3.6A)
None
1.33A 1kifF-5jsiA:
undetectable
1kifF-5jsiA:
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.
1KIF_G_BEZG349_0
(D-AMINO ACID OXIDASE)
5jsi BACTERIORHODOPSIN
(Candidatus
Actinomarina
minuta)
4 / 5 TYR A  70
ILE A 109
ARG A 188
GLY A 175
None
LYR  A 200 ( 4.8A)
IOD  A 316 (-3.6A)
None
1.33A 1kifG-5jsiA:
undetectable
1kifG-5jsiA:
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.
1KIF_H_BEZH349_0
(D-AMINO ACID OXIDASE)
5jsi BACTERIORHODOPSIN
(Candidatus
Actinomarina
minuta)
4 / 5 TYR A  70
ILE A 109
ARG A 188
GLY A 175
None
LYR  A 200 ( 4.8A)
IOD  A 316 (-3.6A)
None
1.33A 1kifH-5jsiA:
undetectable
1kifH-5jsiA:
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.
1L7X_A_CFFA864_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)
1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.)
3 / 3 TRP A 698
HIS A 736
LYS A 838
None
IOD  A9038 ( 4.5A)
None
1.35A 1l7xA-1xc6A:
1.7
1l7xA-1xc6A:
22.41
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.
1LQT_A_ACTA1866_0
(FPRA)
5jvf SITE-DETERMINING
PROTEIN

(Pseudomonas
aeruginosa)
4 / 4 ARG A 260
LEU A 121
ASN A 120
VAL A  10
None
None
None
IOD  A 302 (-4.5A)
1.38A 1lqtA-5jvfA:
2.2
1lqtA-5jvfA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LQT_B_ACTB1875_0
(FPRA)
5jvf SITE-DETERMINING
PROTEIN

(Pseudomonas
aeruginosa)
4 / 4 ARG A 260
LEU A 121
ASN A 120
VAL A  10
None
None
None
IOD  A 302 (-4.5A)
1.38A 1lqtB-5jvfA:
3.3
1lqtB-5jvfA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LQU_A_ACTA1423_0
(FPRA)
5jvf SITE-DETERMINING
PROTEIN

(Pseudomonas
aeruginosa)
4 / 4 ARG A 260
LEU A 121
ASN A 120
VAL A  10
None
None
None
IOD  A 302 (-4.5A)
1.38A 1lquA-5jvfA:
3.3
1lquA-5jvfA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LQU_B_ACTB1432_0
(FPRA)
5jvf SITE-DETERMINING
PROTEIN

(Pseudomonas
aeruginosa)
4 / 4 ARG A 260
LEU A 121
ASN A 120
VAL A  10
None
None
None
IOD  A 302 (-4.5A)
1.37A 1lquB-5jvfA:
2.6
1lquB-5jvfA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LWC_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)
5dn5 PEPTIDOGLYCAN
HYDROLASE FLGJ

(Salmonella
enterica)
5 / 11 PRO A 162
LEU A 178
VAL A 203
GLY A 188
LEU A 156
IOD  A 401 ( 4.5A)
None
None
None
None
1.42A 1lwcA-5dn5A:
undetectable
1lwcA-5dn5A:
15.26
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.
1MXG_A_ACRA444_1
(ALPHA AMYLASE)
1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.)
4 / 7 TYR A 936
ASN A 962
TYR A 958
GLY A 960
None
None
None
IOD  A9052 ( 4.3A)
1.32A 1mxgA-1xc6A:
10.1
1mxgA-1xc6A:
17.57
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.
1N2X_B_SAMB402_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)
5udy ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 7

(Homo
sapiens)
6 / 12 HIS A 203
GLY A 351
GLY A 206
GLY A 202
VAL A 252
GLY A 354
ZN  A 502 (-3.3A)
None
None
None
None
IOD  A 532 ( 4.3A)
1.41A 1n2xB-5udyA:
undetectable
1n2xB-5udyA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N2X_B_SAMB402_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)
5udy ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 7

(Homo
sapiens)
6 / 12 HIS A 203
THR A 250
GLY A 351
GLY A 206
GLY A 202
GLY A 354
ZN  A 502 (-3.3A)
None
None
None
None
IOD  A 532 ( 4.3A)
1.23A 1n2xB-5udyA:
undetectable
1n2xB-5udyA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N4F_A_ASRA140_0
(LYSOZYME C)
4nhb TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Desulfovibrio
desulfuricans)
3 / 3 ASN A 131
ALA A 102
ASN A 319
None
IOD  A 402 (-4.1A)
None
0.79A 1n4fA-4nhbA:
undetectable
1n4fA-4nhbA:
17.57
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.
1NBI_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)
3g7r PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor)
5 / 12 GLY A 101
ALA A  95
SER A  97
GLY A 109
TYR A  28
None
None
IOD  A 203 (-3.6A)
None
None
1.24A 1nbiC-3g7rA:
undetectable
1nbiC-3g7rA:
24.12
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_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)
3s6l HEP_HAG FAMILY
(Burkholderia
pseudomallei)
5 / 12 GLY A  85
THR A 100
ALA A  90
SER A  89
SER A  70
None
IOD  A 179 (-4.8A)
None
None
None
1.30A 1nbiC-3s6lA:
undetectable
1nbiC-3s6lA:
24.03
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.
1NBI_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)
3g7r PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor)
5 / 12 GLY A 101
ALA A  95
SER A  97
GLY A 109
TYR A  28
None
None
IOD  A 203 (-3.6A)
None
None
1.23A 1nbiD-3g7rA:
undetectable
1nbiD-3g7rA:
24.12
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_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)
3s6l HEP_HAG FAMILY
(Burkholderia
pseudomallei)
5 / 12 GLY A  85
THR A 100
ALA A  90
SER A  89
SER A  70
None
IOD  A 179 (-4.8A)
None
None
None
1.29A 1nbiD-3s6lA:
undetectable
1nbiD-3s6lA:
24.03
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.
1NW3_A_ACTA600_0
(HISTONE
METHYLTRANSFERASE
DOT1L)
4ihc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Dickeya
paradisiaca)
4 / 5 LEU A 236
VAL A 228
TYR A 199
THR A 232
None
IOD  A 506 ( 4.1A)
None
IOD  A 506 (-3.5A)
1.49A 1nw3A-4ihcA:
undetectable
1nw3A-4ihcA:
21.22
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.
1NW5_A_SAMA401_1
(MODIFICATION
METHYLASE RSRI)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
3 / 3 ASP A 611
HIS A 651
ASP A 687
5ID  A1800 (-3.6A)
None
IOD  A1799 (-4.0A)
0.78A 1nw5A-2vuwA:
undetectable
1nw5A-2vuwA:
20.17
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)
5jyd SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia)
4 / 8 ARG A 211
TYR A 219
GLN A 257
SER A 274
IOD  A 904 ( 3.8A)
NAD  A 901 (-4.6A)
NAD  A 901 (-3.7A)
None
1.20A 1nx9A-5jydA:
3.6
1nx9A-5jydA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)
5jyd SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia)
4 / 8 ARG A 211
TYR A 219
GLN A 257
SER A 274
IOD  A 904 ( 3.8A)
NAD  A 901 (-4.6A)
NAD  A 901 (-3.7A)
None
1.20A 1nx9B-5jydA:
5.2
1nx9B-5jydA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)
5jyd SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia)
4 / 8 ARG A 211
TYR A 219
GLN A 257
SER A 274
IOD  A 904 ( 3.8A)
NAD  A 901 (-4.6A)
NAD  A 901 (-3.7A)
None
1.21A 1nx9C-5jydA:
3.5
1nx9C-5jydA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)
5jyd SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia)
4 / 8 ARG A 211
TYR A 219
GLN A 257
SER A 274
IOD  A 904 ( 3.8A)
NAD  A 901 (-4.6A)
NAD  A 901 (-3.7A)
None
1.18A 1nx9D-5jydA:
4.8
1nx9D-5jydA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_I_BEZI518_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
5wlh LBACAS13A H328A
(C2C2)

(Lachnospiraceae
bacterium
NK4A179)
4 / 7 ILE A 152
GLY A 151
PHE A 158
ASN A 160
None
IOD  A1514 ( 4.4A)
None
None
0.98A 1oniG-5wlhA:
undetectable
1oniI-5wlhA:
undetectable
1oniG-5wlhA:
7.59
1oniI-5wlhA:
7.59
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.
1P6K_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)
3m6m RPFF PROTEIN
(Xanthomonas
campestris)
4 / 6 GLY A 154
VAL A 209
ALA A 197
SER A 196
IOD  A 290 (-4.3A)
None
IOD  A 290 ( 3.9A)
IOD  A 290 ( 4.2A)
0.96A 1p6kA-3m6mA:
undetectable
1p6kA-3m6mA:
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.
1QAO_A_SAMA245_0
(ERMC'
METHYLTRANSFERASE)
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora)
6 / 12 GLY A 131
GLY A 133
ASP A 179
ASN A 194
PRO A 196
ILE A 214
SAH  A 414 (-3.0A)
SAH  A 414 (-2.8A)
SAH  A 414 (-2.9A)
TRS  A 415 ( 2.3A)
SAH  A 414 ( 3.2A)
IOD  A 409 (-4.2A)
0.75A 1qaoA-5u4tA:
10.2
1qaoA-5u4tA:
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.
1T9W_A_NFNA6002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)
4zu2 PUTATIVE
ISOHEXENYLGLUTACONYL
-COA HYDRATASE

(Pseudomonas
aeruginosa)
4 / 7 ALA A 147
PHE A 152
ARG A  40
ASN A  88
IOD  A 304 (-4.7A)
None
IOD  A 305 (-4.4A)
IOD  A 304 (-4.0A)
1.35A 1t9wA-4zu2A:
3.1
1t9wA-4zu2A:
14.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1U1J_A_C2FA773_0
(5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE)
3hr6 PUTATIVE
SURFACE-ANCHORED
FIMBRIAL SUBUNIT

(Corynebacterium
diphtheriae)
4 / 8 ARG A 351
HIS A 418
SER A 354
VAL A 352
None
IOD  A 487 (-4.7A)
None
None
1.11A 1u1jA-3hr6A:
undetectable
1u1jA-3hr6A:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UDU_B_CIAB2003_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)
3s99 BASIC MEMBRANE
LIPOPROTEIN

(Brucella
abortus)
5 / 12 ALA A  69
ILE A  26
VAL A  98
ALA A  99
PHE A 102
None
None
IOD  A 352 ( 4.1A)
None
None
1.00A 1uduB-3s99A:
undetectable
1uduB-3s99A:
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.
1UOF_A_PNNA1312_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)
6ax6 PROCOLLAGEN LYSYL
HYDROXYLASE AND
GLYCOSYLTRANSFERASE

(Acanthamoeba
polyphaga
mimivirus)
6 / 11 HIS A 825
ASP A 827
THR A 832
HIS A 877
ARG A 887
VAL A 891
FE2  A 934 (-3.6A)
FE2  A 934 ( 2.8A)
None
FE2  A 934 (-3.5A)
IOD  A 923 (-3.4A)
None
0.75A 1uofA-6ax6A:
8.3
1uofA-6ax6A:
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.
1UYU_B_CAMB1416_0
(CYTOCHROME P450-CAM)
3oib ACYL-COA
DEHYDROGENASE

(Mycolicibacteriu
m
smegmatis)
4 / 8 LEU A 128
VAL A 246
VAL A 240
ASP A 208
None
None
None
IOD  A 507 ( 4.1A)
1.17A 1uyuB-3oibA:
undetectable
1uyuB-3oibA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VE9_A_BEZA352_0
(D-AMINO ACID OXIDASE)
5jsi BACTERIORHODOPSIN
(Candidatus
Actinomarina
minuta)
4 / 5 TYR A  70
ILE A 109
ARG A 188
GLY A 175
None
LYR  A 200 ( 4.8A)
IOD  A 316 (-3.6A)
None
1.27A 1ve9A-5jsiA:
undetectable
1ve9A-5jsiA:
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.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)
4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA

(Sulfurospirillum
multivorans)
4 / 6 ARG A  89
SER A 236
ILE A 432
ALA A  79
None
None
IOD  A1467 ( 4.7A)
None
0.90A 1w0gA-4ur2A:
undetectable
1w0gA-4ur2A:
21.22
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.
1W5U_B_DVAB6_0
(GRAMICIDIN D)
5gzh ENDO-BETA-1,2-GLUCAN
ASE

(Chitinophaga
pinensis)
3 / 3 TRP A 120
ALA A  52
VAL A  69
None
None
IOD  A 506 ( 4.7A)
1.00A 1w5uA-5gzhA:
undetectable
1w5uB-5gzhA:
undetectable
1w5uA-5gzhA:
3.11
1w5uB-5gzhA:
3.11
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.
1W5U_C_DVAC6_0
(GRAMICIDIN D)
6ax6 PROCOLLAGEN LYSYL
HYDROXYLASE AND
GLYCOSYLTRANSFERASE

(Acanthamoeba
polyphaga
mimivirus)
3 / 3 ALA A 791
VAL A 785
TRP A 782
IOD  A 902 ( 3.9A)
None
None
0.87A 1w5uC-6ax6A:
undetectable
1w5uD-6ax6A:
undetectable
1w5uC-6ax6A:
undetectable
1w5uD-6ax6A:
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.
1XDK_F_9CRF1600_1
(RETINOIC ACID
RECEPTOR, BETA)
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus)
5 / 12 LEU A 279
LEU A 282
ILE A 283
ILE A 286
LEU A 266
None
None
None
None
IOD  A 962 ( 4.6A)
1.00A 1xdkF-3s1sA:
undetectable
1xdkF-3s1sA:
16.59
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.
1XOQ_B_ROFB501_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
5ygu DIAMINOPIMELATE
EPIMERASE

(Escherichia
coli)
3 / 3 MET A 118
ASN A  11
GLN A  44
None
IOD  A 308 (-4.5A)
None
0.71A 1xoqB-5yguA:
undetectable
1xoqB-5yguA:
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.
1YA4_B_CTXB2_2
(CES1 PROTEIN)
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius)
4 / 4 LEU A 416
PRO A 411
ILE A 463
LEU A 404
None
IOD  A1721 ( 4.8A)
None
None
0.99A 1ya4B-4aw7A:
undetectable
1ya4B-4aw7A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YI4_A_ADNA306_1
(PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE PIM-1)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
5 / 10 ALA A 509
ILE A 557
ASP A 611
LEU A 656
ILE A 686
5ID  A1800 (-3.4A)
5ID  A1800 ( 4.5A)
5ID  A1800 (-3.6A)
5ID  A1800 (-4.5A)
IOD  A1799 (-4.2A)
0.72A 1yi4A-2vuwA:
17.2
1yi4A-2vuwA:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZLQ_A_ACTA1502_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)
3qqm MLR3007 PROTEIN
(Mesorhizobium
loti)
4 / 5 TRP A  98
GLY A 208
ASN A 209
GLY A 213
None
None
IOD  A 234 (-4.1A)
IOD  A 225 ( 3.9A)
1.17A 1zlqA-3qqmA:
undetectable
1zlqA-3qqmA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_B_PNXB2434_1
(CHITINASE)
5a11 THIOCYANATE FORMING
PROTEIN

(Thlaspi
arvense)
4 / 6 TRP A 234
GLY A 188
PHE A 189
SER A 132
None
None
None
IOD  A1350 ( 4.3A)
1.40A 2a3cB-5a11A:
undetectable
2a3cB-5a11A:
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.
2AB2_A_SNLA502_2
(MINERALOCORTICOID
RECEPTOR)
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus)
4 / 6 LEU A 266
LEU A 269
LEU A 282
LEU A 198
IOD  A 962 ( 4.6A)
IOD  A 962 ( 4.3A)
None
None
0.74A 2ab2A-3s1sA:
undetectable
2ab2A-3s1sA:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVO_B_MK1B902_1
(POL POLYPROTEIN)
1sd5 PUTATIVE
ANTITERMINATOR

(Mycobacterium
tuberculosis)
5 / 9 LEU A  61
ILE A  25
ILE A 118
VAL A  16
ILE A  63
None
IOD  A 414 ( 4.4A)
None
None
None
1.01A 2avoA-1sd5A:
undetectable
2avoA-1sd5A:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BM9_D_SAMD301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)
4gbo E7
(Thermobifida
fusca)
3 / 3 ASP A  76
ASP A 120
ASN A  79
None
None
IOD  A 311 (-4.2A)
0.85A 2bm9D-4gboA:
undetectable
2bm9D-4gboA:
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.
2BXQ_A_IMNA2001_1
(SERUM ALBUMIN)
4nhb TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Desulfovibrio
desulfuricans)
5 / 10 ALA A 327
ALA A 118
ARG A 119
LEU A 115
LEU A 235
None
None
None
IOD  A 403 (-4.4A)
None
1.12A 2bxqA-4nhbA:
undetectable
2bxqA-4nhbA:
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.
2C2B_E_SAME500_0
(THREONINE SYNTHASE
1, CHLOROPLASTIC)
4kca ENDO-1,5-ALPHA-L-ARA
BINANASE

(Bos
taurus)
5 / 11 SER A 211
GLY A 209
SER A 208
ASN A 239
ASP A 213
None
None
None
IOD  A 725 (-4.1A)
None
0.98A 2c2bE-4kcaA:
undetectable
2c2bF-4kcaA:
undetectable
2c2bE-4kcaA:
20.45
2c2bF-4kcaA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C8A_D_NCAD1247_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)
5a11 THIOCYANATE FORMING
PROTEIN

(Thlaspi
arvense)
4 / 7 GLY A 185
SER A 249
PHE A 202
ARG A 157
IOD  A1349 ( 3.8A)
None
None
IOD  A1349 (-4.5A)
1.03A 2c8aD-5a11A:
undetectable
2c8aD-5a11A:
22.35
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.
2DQY_C_CHDC3_0
(LIVER
CARBOXYLESTERASE 1)
5zbb -
(-)
4 / 6 LEU A 111
LEU A  99
PRO A  17
VAL A  20
IOD  A 608 ( 4.4A)
None
None
None
1.20A 2dqyC-5zbbA:
undetectable
2dqyC-5zbbA:
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.
2DU8_G_BEZG2352_0
(D-AMINO-ACID OXIDASE)
5jsi BACTERIORHODOPSIN
(Candidatus
Actinomarina
minuta)
4 / 5 TYR A  70
ILE A 109
ARG A 188
GLY A 175
None
LYR  A 200 ( 4.8A)
IOD  A 316 (-3.6A)
None
1.21A 2du8G-5jsiA:
undetectable
2du8G-5jsiA:
20.40
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.
2DU8_G_BEZG2352_0
(D-AMINO-ACID OXIDASE)
5jsi BACTERIORHODOPSIN
(Candidatus
Actinomarina
minuta)
4 / 5 TYR A 192
ILE A 109
ARG A 188
GLY A 175
None
LYR  A 200 ( 4.8A)
IOD  A 316 (-3.6A)
None
1.31A 2du8G-5jsiA:
undetectable
2du8G-5jsiA:
20.40
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.
2DU8_J_BEZJ3352_0
(D-AMINO-ACID OXIDASE)
5jsi BACTERIORHODOPSIN
(Candidatus
Actinomarina
minuta)
4 / 5 TYR A  70
ILE A 109
ARG A 188
GLY A 175
None
LYR  A 200 ( 4.8A)
IOD  A 316 (-3.6A)
None
1.22A 2du8J-5jsiA:
undetectable
2du8J-5jsiA:
20.40
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.
2EIN_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)
3w0f ENDONUCLEASE 8-LIKE
3

(Mus
musculus)
4 / 6 ILE A 105
TYR A  74
MET A  86
LEU A  84
IOD  A 305 ( 4.3A)
None
None
None
0.98A 2einN-3w0fA:
undetectable
2einW-3w0fA:
undetectable
2einN-3w0fA:
20.08
2einW-3w0fA:
12.46
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.
2EJF_B_ADNB2002_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)
3pm6 PUTATIVE
FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Coccidioides
immitis)
4 / 6 ARG A 209
ASN A 190
PRO A 186
ALA A 187
IOD  A 308 ( 4.9A)
None
None
None
1.37A 2ejfB-3pm6A:
undetectable
2ejfB-3pm6A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJG_A_ADNA1501_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)
3pm6 PUTATIVE
FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Coccidioides
immitis)
4 / 7 ARG A 209
ASN A 190
PRO A 186
ALA A 187
IOD  A 308 ( 4.9A)
None
None
None
1.31A 2ejgA-3pm6A:
undetectable
2ejgA-3pm6A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJT_A_SAMA501_0
(N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE)
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT

(Escherichia
coli)
5 / 12 LEU B 258
ALA B 245
ILE B 247
ALA B 303
PHE B 287
None
None
IOD  B1317 ( 4.9A)
None
None
1.23A 2ejtA-5g5gB:
undetectable
2ejtA-5g5gB:
22.85
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.
2EUF_B_LQQB401_1
(CELL DIVISION
PROTEIN KINASE 6)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
8 / 12 ILE A 490
VAL A 498
LYS A 511
PHE A 605
ASP A 611
ASN A 654
LEU A 656
ASP A 687
None
5ID  A1800 ( 4.5A)
IOD  A1799 (-3.2A)
5ID  A1800 (-4.1A)
5ID  A1800 (-3.6A)
None
5ID  A1800 (-4.5A)
IOD  A1799 (-4.0A)
0.72A 2eufB-2vuwA:
13.1
2eufB-2vuwA:
24.66
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.
2F78_A_BEZA1001_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus)
5 / 9 LEU A 794
LEU A 755
ILE A 731
PHE A 781
LEU A 802
None
IOD  A 956 ( 4.2A)
None
None
None
1.23A 2f78A-3s1sA:
undetectable
2f78A-3s1sA:
13.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F78_A_BEZA1003_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)
4lis UDP-GLUCOSE
4-EPIMERASE

(Aspergillus
nidulans)
4 / 7 VAL A 170
PHE A 125
HIS A  83
THR A 108
IOD  A 406 ( 4.9A)
None
None
None
1.10A 2f78A-4lisA:
undetectable
2f78A-4lisA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F78_B_BEZB1004_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)
4lis UDP-GLUCOSE
4-EPIMERASE

(Aspergillus
nidulans)
4 / 7 VAL A 170
PHE A 125
HIS A  83
THR A 108
IOD  A 406 ( 4.9A)
None
None
None
1.12A 2f78B-4lisA:
undetectable
2f78B-4lisA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F8L_A_SAMA400_0
(HYPOTHETICAL PROTEIN
LMO1582)
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus)
6 / 12 ALA A 329
GLY A 331
ASN A 334
LEU A 335
PRO A 408
PHE A 447
SAH  A 900 (-3.2A)
SAH  A 900 (-3.2A)
EDO  A 906 ( 3.7A)
IOD  A 938 (-4.1A)
SAH  A 900 (-4.0A)
None
0.82A 2f8lA-3s1sA:
0.0
2f8lA-3s1sA:
19.57
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.
2F8L_A_SAMA400_0
(HYPOTHETICAL PROTEIN
LMO1582)
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus)
5 / 12 HIS A 293
ALA A 329
GLY A 331
ASN A 334
LEU A 335
None
SAH  A 900 (-3.2A)
SAH  A 900 (-3.2A)
EDO  A 906 ( 3.7A)
IOD  A 938 (-4.1A)
0.95A 2f8lA-3s1sA:
0.0
2f8lA-3s1sA:
19.57
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.
2FJ1_A_CTCA222_0
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)
5mbg BETA SUBUNIT OF
PHOTOACTIVATED
ADENYLYL CYCLASE

(Beggiatoa
sp.
PS)
5 / 12 SER A 249
PHE A 154
THR A 293
ILE A 216
SER A 219
None
None
IOD  A 403 ( 4.9A)
None
None
1.28A 2fj1A-5mbgA:
undetectable
2fj1A-5mbgA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FT9_A_CHDA130_0
(FATTY ACID-BINDING
PROTEIN 2, LIVER)
4m73 METHYLTRANSFERASE
MPPJ

(Streptomyces
hygroscopicus)
5 / 12 PHE A 230
VAL A 224
ILE A 195
VAL A 202
LEU A 186
None
IOD  A 411 ( 4.8A)
None
None
None
1.25A 2ft9A-4m73A:
undetectable
2ft9A-4m73A:
16.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FT9_A_CHDA131_0
(FATTY ACID-BINDING
PROTEIN 2, LIVER)
6an0 HISTIDINOL
DEHYDROGENASE

(Elizabethkingia
anophelis)
5 / 11 LEU A 278
ILE A 304
PRO A   7
ASN A   6
LEU A 299
None
None
None
IOD  A 509 (-4.1A)
None
1.29A 2ft9A-6an0A:
undetectable
2ft9A-6an0A:
14.78
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.
2HW2_A_RFPA1200_1
(RIFAMPIN ADP-RIBOSYL
TRANSFERASE)
4e1l ACETOACETYL-COA
THIOLASE 2

(Clostridioides
difficile)
5 / 12 ALA A 186
MET A 224
GLY A 228
LEU A 229
LEU A 232
None
IOD  A 410 ( 4.1A)
IOD  A 410 ( 4.2A)
IOD  A 410 ( 4.8A)
None
1.09A 2hw2A-4e1lA:
undetectable
2hw2A-4e1lA:
17.35
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.
2IZQ_A_DVAA6_0
(GRAMICIDIN D)
5gzh ENDO-BETA-1,2-GLUCAN
ASE

(Chitinophaga
pinensis)
3 / 3 ALA A  52
VAL A  69
TRP A 120
None
IOD  A 506 ( 4.7A)
None
0.97A 2izqA-5gzhA:
undetectable
2izqB-5gzhA:
undetectable
2izqA-5gzhA:
3.11
2izqB-5gzhA:
3.11
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.
2J9C_A_ACTA1122_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)
3s6l HEP_HAG FAMILY
(Burkholderia
pseudomallei)
4 / 7 SER A 132
SER A 126
VAL A 124
SER A 130
None
IOD  A 180 (-4.6A)
None
None
1.47A 2j9cA-3s6lA:
undetectable
2j9cB-3s6lA:
undetectable
2j9cC-3s6lA:
undetectable
2j9cA-3s6lA:
18.34
2j9cB-3s6lA:
18.34
2j9cC-3s6lA:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JN3_A_JN3A131_1
(FATTY ACID-BINDING
PROTEIN, LIVER)
5udy ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 7

(Homo
sapiens)
5 / 12 VAL A  62
ILE A 242
THR A 244
LEU A  35
LEU A 413
None
None
None
None
IOD  A 521 ( 4.6A)
1.20A 2jn3A-5udyA:
undetectable
2jn3A-5udyA:
15.42
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.
2KAW_A_SUZA91_1
(SEGMENT POLARITY
PROTEIN DISHEVELLED
HOMOLOG DVL-1)
4wyu PROTEIN SCRIBBLE
HOMOLOG

(Homo
sapiens)
5 / 11 LEU A 121
GLY A 122
ILE A 123
SER A 124
ILE A 125
None
IOD  A 301 (-4.2A)
None
None
None
0.72A 2kawA-4wyuA:
10.9
2kawA-4wyuA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2N27_A_4DYA205_1
(CALMODULIN)
4zu2 PUTATIVE
ISOHEXENYLGLUTACONYL
-COA HYDRATASE

(Pseudomonas
aeruginosa)
5 / 11 LEU A  95
ILE A 149
MET A  31
LEU A 197
VAL A 106
None
IOD  A 304 ( 4.7A)
None
None
None
1.36A 2n27A-4zu2A:
undetectable
2n27A-4zu2A:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)
1oxx ABC TRANSPORTER, ATP
BINDING PROTEIN

(Sulfolobus
solfataricus)
5 / 12 ILE K  26
GLU K  32
LEU K 195
ALA K 208
ARG K 210
None
None
None
None
IOD  K1917 (-4.5A)
0.89A 2noaA-1oxxK:
0.0
2noaA-1oxxK:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NOA_B_3TCB302_1
(DEOXYCYTIDINE KINASE)
1oxx ABC TRANSPORTER, ATP
BINDING PROTEIN

(Sulfolobus
solfataricus)
5 / 11 ILE K  26
GLU K  32
LEU K 195
ALA K 208
ARG K 210
None
None
None
None
IOD  K1917 (-4.5A)
0.87A 2noaB-1oxxK:
2.1
2noaB-1oxxK:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O7O_A_DXTA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)
5mbg BETA SUBUNIT OF
PHOTOACTIVATED
ADENYLYL CYCLASE

(Beggiatoa
sp.
PS)
5 / 12 SER A 249
PHE A 154
THR A 293
ILE A 216
SER A 219
None
None
IOD  A 403 ( 4.9A)
None
None
1.33A 2o7oA-5mbgA:
undetectable
2o7oA-5mbgA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2P2F_A_ACTA653_0
(ACETYL-COENZYME A
SYNTHETASE)
3s99 BASIC MEMBRANE
LIPOPROTEIN

(Brucella
abortus)
4 / 5 VAL A  23
THR A  57
VAL A  48
GLY A  52
None
None
IOD  A 367 ( 4.8A)
None
1.07A 2p2fA-3s99A:
6.2
2p2fA-3s99A:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2P2F_B_ACTB653_0
(ACETYL-COENZYME A
SYNTHETASE)
3s99 BASIC MEMBRANE
LIPOPROTEIN

(Brucella
abortus)
4 / 4 VAL A  23
THR A  57
VAL A  48
GLY A  52
None
None
IOD  A 367 ( 4.8A)
None
1.08A 2p2fB-3s99A:
4.6
2p2fB-3s99A:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PGR_A_DCFA501_2
(ADENOSINE DEAMINASE)
1sd5 PUTATIVE
ANTITERMINATOR

(Mycobacterium
tuberculosis)
3 / 3 LEU A  91
LEU A  61
PHE A 116
None
None
IOD  A 414 (-3.9A)
0.56A 2pgrA-1sd5A:
undetectable
2pgrA-1sd5A:
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.
2PNJ_B_CHDB502_0
(FERROCHELATASE,
MITOCHONDRIAL)
4hjh PHOSPHOMANNOMUTASE
(Brucella
melitensis)
4 / 7 ILE A 106
ARG A 110
PRO A 301
GLY A   9
IOD  A 516 ( 4.5A)
IOD  A 516 (-3.2A)
None
None
1.10A 2pnjB-4hjhA:
2.3
2pnjB-4hjhA:
23.19
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.
2PO7_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)
4noi DNA-DIRECTED RNA
POLYMERASE SUBUNIT
ALPHA

(Campylobacter
jejuni)
3 / 3 LEU A  43
PRO A  42
LEU A  46
None
IOD  A 402 ( 4.2A)
None
0.58A 2po7B-4noiA:
undetectable
2po7B-4noiA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q72_A_IXXA801_1
(TRANSPORTER)
3hhc INTERLEUKIN-28B
(Homo
sapiens)
5 / 11 LEU A  72
LEU A  86
GLN A  88
ALA A  19
LEU A 149
None
None
None
IOD  A 164 ( 4.0A)
None
1.18A 2q72A-3hhcA:
2.8
2q72A-3hhcA:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD4_A_CHDA801_0
(FERROCHELATASE)
4p1e TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Escherichia
fergusonii)
5 / 12 PHE A 121
GLN A 133
LEU A 311
PRO A 308
VAL A 307
None
None
IOD  A 436 ( 4.4A)
None
None
1.25A 2qd4A-4p1eA:
undetectable
2qd4A-4p1eA:
22.87
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.
2QD4_B_CHDB928_0
(FERROCHELATASE)
4p1e TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Escherichia
fergusonii)
5 / 12 PHE A 121
GLN A 133
LEU A 311
PRO A 308
VAL A 307
None
None
IOD  A 436 ( 4.4A)
None
None
1.23A 2qd4B-4p1eA:
undetectable
2qd4B-4p1eA:
22.87
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.
2QMZ_B_LDPB502_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE)
5wlh LBACAS13A H328A
(C2C2)

(Lachnospiraceae
bacterium
NK4A179)
4 / 5 GLN A 914
PHE A 505
PHE A1249
GLY A1045
IOD  A1509 ( 4.7A)
None
None
None
1.42A 2qmzA-5wlhA:
undetectable
2qmzB-5wlhA:
undetectable
2qmzA-5wlhA:
10.07
2qmzB-5wlhA:
10.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2R5P_B_MK1B902_2
(PROTEASE)
3mgl SULFATE PERMEASE
FAMILY PROTEIN

(Vibrio
cholerae)
6 / 12 GLY A 538
ALA A 539
ILE A 507
GLY A 509
VAL A 444
ILE A 474
IOD  A 604 ( 3.7A)
None
None
IOD  A 602 ( 3.7A)
None
None
1.01A 2r5pB-3mglA:
undetectable
2r5pB-3mglA:
22.48
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.
2R5P_D_MK1D902_2
(PROTEASE)
3mgl SULFATE PERMEASE
FAMILY PROTEIN

(Vibrio
cholerae)
6 / 12 GLY A 538
ALA A 539
ILE A 507
GLY A 509
VAL A 444
ILE A 474
IOD  A 604 ( 3.7A)
None
None
IOD  A 602 ( 3.7A)
None
None
1.00A 2r5pD-3mglA:
undetectable
2r5pD-3mglA:
22.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2REZ_A_ACTA155_0
(MULTIFUNCTIONAL
CYCLASE-DEHYDRATASE-
3-O-METHYL
TRANSFERASE TCMN)
2rez MULTIFUNCTIONAL
CYCLASE-DEHYDRATASE-
3-O-METHYL
TRANSFERASE TCMN

(Streptomyces
glaucescens)
5 / 5 TRP A  65
ARG A  82
GLY A  86
PRO A  87
PHE A  88
ACT  A 156 (-4.9A)
IOD  A 157 (-3.6A)
ACT  A 155 (-3.0A)
ACT  A 155 (-3.9A)
ACT  A 155 (-4.8A)
0.00A 2rezA-2rezA:
30.5
2rezA-2rezA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2REZ_A_ACTA156_0
(MULTIFUNCTIONAL
CYCLASE-DEHYDRATASE-
3-O-METHYL
TRANSFERASE TCMN)
2rez MULTIFUNCTIONAL
CYCLASE-DEHYDRATASE-
3-O-METHYL
TRANSFERASE TCMN

(Streptomyces
glaucescens)
7 / 7 GLU A  34
THR A  54
TRP A  63
TRP A  65
ARG A  82
MET A 125
LEU A 129
ACT  A 156 (-4.0A)
ACT  A 156 ( 4.5A)
ACT  A 156 (-3.6A)
ACT  A 156 (-4.9A)
IOD  A 157 (-3.6A)
ACT  A 156 ( 3.9A)
None
0.04A 2rezA-2rezA:
30.5
2rezA-2rezA:
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.
2TCT_A_CTCA222_0
(TETRACYCLINE
REPRESSOR)
5mbg BETA SUBUNIT OF
PHOTOACTIVATED
ADENYLYL CYCLASE

(Beggiatoa
sp.
PS)
5 / 12 SER A 249
PHE A 154
THR A 293
ILE A 216
SER A 219
None
None
IOD  A 403 ( 4.9A)
None
None
1.36A 2tctA-5mbgA:
undetectable
2tctA-5mbgA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TSR_D_D16D609_1
(THYMIDYLATE SYNTHASE)
5vq5 ADHESIN
(Escherichia
coli)
5 / 9 PHE A 137
ASP A   3
LEU A 175
PHE A  46
THR A 134
None
None
None
None
IOD  A 306 ( 4.2A)
1.27A 2tsrD-5vq5A:
undetectable
2tsrD-5vq5A:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2UVN_B_ECNB1406_1
(CYTOCHROME P450 130)
1mov GFP-LIKE
NON-FLUORESCENT
CHROMOPROTEIN

(Montipora
efflorescens)
5 / 11 ASP A  78
PRO A  80
PRO A 190
MET A 189
THR A  73
None
None
None
IOD  A 303 ( 4.8A)
None
1.40A 2uvnB-1movA:
0.0
2uvnB-1movA:
18.72
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.
2V0M_B_KLNB1498_1
(CYTOCHROME P450 3A4)
3rsi PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacteroides
abscessus)
5 / 9 LEU A 169
ILE A 154
ALA A 159
GLY A 111
LEU A 133
None
None
None
IOD  A 263 ( 4.1A)
None
1.18A 2v0mB-3rsiA:
undetectable
2v0mB-3rsiA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0M_C_KLNC1499_1
(CYTOCHROME P450 3A4)
5a11 THIOCYANATE FORMING
PROTEIN

(Thlaspi
arvense)
4 / 7 PHE A 251
SER A 312
PHE A 199
GLY A 185
None
None
None
IOD  A1349 ( 3.8A)
0.97A 2v0mC-5a11A:
undetectable
2v0mC-5a11A:
21.92
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.
2V0Z_O_C41O1327_2
(RENIN)
4p0d TRYPSIN-RESISTANT
SURFACE T6 PROTEIN

(Streptococcus
pyogenes)
4 / 8 TYR A 119
TYR A 140
THR A 132
THR A 215
None
None
None
IOD  A 601 (-3.5A)
1.03A 2v0zO-4p0dA:
undetectable
2v0zO-4p0dA:
23.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3B_B_FOLB401_0
(DIHYDROFOLATE
REDUCTASE)
6b4m MONOTREME LACTATION
PROTEIN

(Ornithorhynchus
anatinus)
5 / 12 LEU A 159
PHE A 142
PHE A 141
ILE A  51
LEU A  41
None
None
None
None
IOD  A 403 ( 4.8A)
1.12A 2w3bB-6b4mA:
undetectable
2w3bB-6b4mA:
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.
2X2N_D_X2ND1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)
4jxj RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Rickettsia
bellii)
5 / 12 ILE A 111
PHE A 220
TYR A 160
ALA A 219
LEU A 169
None
IOD  A 305 ( 4.8A)
None
None
None
1.30A 2x2nD-4jxjA:
undetectable
2x2nD-4jxjA:
23.18
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.
2X45_B_HSMB1162_1
(ALLERGEN ARG R 1)
5jyd SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia)
3 / 3 GLU A 110
HIS A  56
GLU A  58
IOD  A 908 ( 4.4A)
None
None
0.77A 2x45B-5jydA:
undetectable
2x45B-5jydA:
18.35
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.
2X45_C_HSMC1162_1
(ALLERGEN ARG R 1)
5jyd SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia)
3 / 3 GLU A 110
HIS A  56
GLU A  58
IOD  A 908 ( 4.4A)
None
None
0.79A 2x45C-5jydA:
undetectable
2x45C-5jydA:
18.35
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.
2XFF_A_QPSA600_1
(BETA-AMYLASE)
4kca ENDO-1,5-ALPHA-L-ARA
BINANASE

(Bos
taurus)
5 / 12 GLU A 499
ARG A 493
PHE A 441
GLY A 399
HIS A 559
IOD  A 711 ( 4.0A)
IOD  A 711 ( 4.7A)
None
None
None
1.26A 2xffA-4kcaA:
undetectable
2xffA-4kcaA:
21.89
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.
2XRZ_A_ACTA1467_0
(DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE)
4e1l ACETOACETYL-COA
THIOLASE 2

(Clostridioides
difficile)
4 / 5 ARG A  11
ASP A 217
ILE A 190
GLU A 198
None
None
IOD  A 404 ( 4.8A)
None
0.82A 2xrzA-4e1lA:
undetectable
2xrzB-4e1lA:
undetectable
2xrzA-4e1lA:
22.84
2xrzB-4e1lA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y05_A_RALA802_1
(PROSTAGLANDIN
REDUCTASE 1)
1oxx ABC TRANSPORTER, ATP
BINDING PROTEIN

(Sulfolobus
solfataricus)
4 / 7 VAL K  87
ARG K 153
VAL K 183
ASP K 129
None
None
IOD  K1914 (-4.7A)
None
0.70A 2y05A-1oxxK:
undetectable
2y05B-1oxxK:
undetectable
2y05A-1oxxK:
22.51
2y05B-1oxxK:
22.51
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_P_CHDP1265_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo
sapiens)
4 / 5 ARG A 503
PHE A 388
LEU A 487
PHE A 484
IOD  A 805 (-4.3A)
None
None
IOD  A 805 ( 4.9A)
1.17A 2y69P-4wziA:
undetectable
2y69W-4wziA:
undetectable
2y69P-4wziA:
16.59
2y69W-4wziA:
8.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Z0Y_A_SAMA300_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0657)
4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA

(Sulfurospirillum
multivorans)
5 / 9 ALA A 221
VAL A 309
VAL A 159
ILE A 260
ALA A 151
None
None
IOD  A1465 (-4.8A)
None
None
0.93A 2z0yA-4ur2A:
undetectable
2z0yA-4ur2A:
18.24
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.
2Z0Y_B_SAMB400_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0657)
4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA

(Sulfurospirillum
multivorans)
6 / 9 ALA A 221
VAL A 309
VAL A 159
GLY A 160
ILE A 260
ALA A 151
None
None
IOD  A1465 (-4.8A)
None
None
None
1.09A 2z0yB-4ur2A:
undetectable
2z0yB-4ur2A:
18.24
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.
2ZM8_A_ACAA511_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)
3jtn ADAPTER PROTEIN MECA
2

(Bacillus
subtilis)
4 / 8 ALA A  82
ILE A  77
ILE A  13
TYR A  37
None
None
None
IOD  A  98 (-4.7A)
1.02A 2zm8A-3jtnA:
undetectable
2zm8A-3jtnA:
12.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZMA_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)
3jtn ADAPTER PROTEIN MECA
2

(Bacillus
subtilis)
4 / 8 ALA A  82
ILE A  77
ILE A  13
TYR A  37
None
None
None
IOD  A  98 (-4.7A)
1.02A 2zmaA-3jtnA:
undetectable
2zmaA-3jtnA:
12.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZUL_A_SAMA376_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus)
6 / 12 GLY A 331
LEU A 335
VAL A 389
ASN A 406
PRO A 408
PHE A 447
SAH  A 900 (-3.2A)
IOD  A 938 (-4.1A)
SAH  A 900 (-3.8A)
SAH  A 900 (-4.5A)
SAH  A 900 (-4.0A)
None
0.96A 2zulA-3s1sA:
11.1
2zulA-3s1sA:
17.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABM_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo
sapiens)
4 / 5 ARG A 503
PHE A 388
LEU A 487
PHE A 484
IOD  A 805 (-4.3A)
None
None
IOD  A 805 ( 4.9A)
1.25A 3abmP-4wziA:
undetectable
3abmW-4wziA:
undetectable
3abmP-4wziA:
16.59
3abmW-4wziA:
6.48
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.
3AG3_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo
sapiens)
4 / 5 ARG A 503
PHE A 388
LEU A 487
PHE A 484
IOD  A 805 (-4.3A)
None
None
IOD  A 805 ( 4.9A)
1.34A 3ag3C-4wziA:
undetectable
3ag3J-4wziA:
undetectable
3ag3C-4wziA:
16.59
3ag3J-4wziA:
6.48
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.
3AG3_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo
sapiens)
4 / 4 ARG A 503
PHE A 388
LEU A 487
PHE A 484
IOD  A 805 (-4.3A)
None
None
IOD  A 805 ( 4.9A)
1.30A 3ag3P-4wziA:
0.9
3ag3W-4wziA:
1.5
3ag3P-4wziA:
16.59
3ag3W-4wziA:
6.48
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.
3AG4_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)
3hr6 PUTATIVE
SURFACE-ANCHORED
FIMBRIAL SUBUNIT

(Corynebacterium
diphtheriae)
4 / 7 ILE A 417
LEU A 464
PHE A 442
THR A 421
None
None
None
IOD  A 487 (-3.9A)
1.04A 3ag4N-3hr6A:
undetectable
3ag4W-3hr6A:
undetectable
3ag4N-3hr6A:
21.15
3ag4W-3hr6A:
9.22
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)
5jvf SITE-DETERMINING
PROTEIN

(Pseudomonas
aeruginosa)
4 / 7 VAL A 149
ASP A 127
ILE A 214
ASN A 181
None
None
None
IOD  A 311 (-4.3A)
1.03A 3avpA-5jvfA:
undetectable
3avpA-5jvfA:
24.09
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_H_SVRH511_2
(PHOSPHOLIPASE A2)
4gbo E7
(Thermobifida
fusca)
4 / 5 VAL A 200
VAL A 153
THR A 127
THR A 202
None
None
IOD  A 314 (-3.5A)
None
1.23A 3bjwD-4gboA:
undetectable
3bjwD-4gboA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CB8_A_SAMA501_0
(PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME)
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius)
5 / 12 TYR A 484
ASN A 481
GLU A 313
VAL A 272
TYR A 266
None
None
None
IOD  A1706 ( 4.3A)
None
1.34A 3cb8A-4aw7A:
5.6
3cb8A-4aw7A:
16.19
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.
3CJT_G_SAMG302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus)
5 / 12 GLY A 331
SER A 332
LEU A 335
ILE A 356
ASN A 406
SAH  A 900 (-3.2A)
SAH  A 900 (-2.6A)
IOD  A 938 (-4.1A)
SAH  A 900 (-3.8A)
SAH  A 900 (-4.5A)
0.78A 3cjtG-3s1sA:
11.7
3cjtG-3s1sA:
14.56
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.
3CJT_O_SAMO302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus)
5 / 12 GLY A 331
SER A 332
LEU A 335
ILE A 356
ASN A 406
SAH  A 900 (-3.2A)
SAH  A 900 (-2.6A)
IOD  A 938 (-4.1A)
SAH  A 900 (-3.8A)
SAH  A 900 (-4.5A)
0.73A 3cjtO-3s1sA:
11.6
3cjtO-3s1sA:
14.56
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.
3D1Y_A_ROCA201_2
(HIV-1 PROTEASE)
1sd5 PUTATIVE
ANTITERMINATOR

(Mycobacterium
tuberculosis)
5 / 9 LEU A  61
ILE A  25
ILE A 118
VAL A  16
ILE A  63
None
IOD  A 414 ( 4.4A)
None
None
None
1.17A 3d1yB-1sd5A:
undetectable
3d1yB-1sd5A:
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.
3D9L_A_ACTA501_0
(CTD-PEPTIDE
RNA-BINDING PROTEIN
16)
3q5m UPF0169 LIPOPROTEIN
YFIO

(Escherichia
coli)
4 / 5 ILE A  13
PRO A  10
TYR A  45
TYR A  14
IOD  A 226 (-4.3A)
IOD  A 229 ( 4.8A)
None
None
1.31A 3d9lA-3q5mA:
3.4
3d9lY-3q5mA:
undetectable
3d9lA-3q5mA:
18.42
3d9lY-3q5mA:
4.91
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.
3D9L_A_ACTA501_0
(CTD-PEPTIDE
RNA-BINDING PROTEIN
16)
3q5m UPF0169 LIPOPROTEIN
YFIO

(Escherichia
coli)
4 / 5 PRO A   9
ILE A  13
TYR A  45
TYR A  14
None
IOD  A 226 (-4.3A)
None
None
1.14A 3d9lA-3q5mA:
3.4
3d9lY-3q5mA:
undetectable
3d9lA-3q5mA:
18.42
3d9lY-3q5mA:
4.91
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.
3DH0_B_SAMB300_0
(SAM DEPENDENT
METHYLTRANSFERASE)
4zu2 PUTATIVE
ISOHEXENYLGLUTACONYL
-COA HYDRATASE

(Pseudomonas
aeruginosa)
5 / 12 LEU A 137
GLY A 117
GLY A 115
ALA A 121
LEU A  94
None
None
IOD  A 302 ( 4.6A)
None
None
0.95A 3dh0B-4zu2A:
undetectable
3dh0B-4zu2A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)
1oxx ABC TRANSPORTER, ATP
BINDING PROTEIN

(Sulfolobus
solfataricus)
4 / 5 ALA K  42
LEU K 214
GLY K 217
THR K  59
None
IOD  K1904 ( 4.4A)
IOD  K1904 (-4.2A)
None
0.74A 3dl9A-1oxxK:
undetectable
3dl9A-1oxxK:
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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)
4eye PROBABLE
OXIDOREDUCTASE

(Mycobacteroides
abscessus)
5 / 12 THR A 225
VAL A 170
ALA A 147
ALA A 218
THR A 176
None
IOD  A 403 ( 4.4A)
None
None
None
1.21A 3dl9B-4eyeA:
undetectable
3dl9B-4eyeA:
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.
3DMH_A_SAMA384_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus)
6 / 12 GLY A 331
LEU A 335
VAL A 389
ASN A 406
PRO A 408
PHE A 447
SAH  A 900 (-3.2A)
IOD  A 938 (-4.1A)
SAH  A 900 (-3.8A)
SAH  A 900 (-4.5A)
SAH  A 900 (-4.0A)
None
0.93A 3dmhA-3s1sA:
11.6
3dmhA-3s1sA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DTU_C_DXCC576_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)
4hjh PHOSPHOMANNOMUTASE
(Brucella
melitensis)
4 / 8 PRO A 301
ALA A 305
ALA A 308
GLU A 127
None
IOD  A 521 ( 4.1A)
IOD  A 506 ( 4.4A)
None
0.58A 3dtuC-4hjhA:
undetectable
3dtuD-4hjhA:
undetectable
3dtuC-4hjhA:
23.47
3dtuD-4hjhA:
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.
3E9X_A_NIMA1_1
(LACTOTRANSFERRIN')
5jsi BACTERIORHODOPSIN
(Candidatus
Actinomarina
minuta)
4 / 4 GLU A 124
GLY A 115
THR A 117
GLU A 116
None
None
None
IOD  A 316 (-2.4A)
0.99A 3e9xA-5jsiA:
undetectable
3e9xA-5jsiA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_C_SAMC300_1
(PUTATIVE RRNA
METHYLASE)
4gbo E7
(Thermobifida
fusca)
3 / 3 ASN A  77
ASP A 120
GLN A 104
IOD  A 311 (-3.5A)
None
None
0.79A 3eeyC-4gboA:
undetectable
3eeyC-4gboA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_D_SAMD300_1
(PUTATIVE RRNA
METHYLASE)
4gbo E7
(Thermobifida
fusca)
3 / 3 ASN A  77
ASP A 120
GLN A 104
IOD  A 311 (-3.5A)
None
None
0.81A 3eeyD-4gboA:
undetectable
3eeyD-4gboA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_E_SAME300_1
(PUTATIVE RRNA
METHYLASE)
4gbo E7
(Thermobifida
fusca)
3 / 3 ASN A  77
ASP A 120
GLN A 104
IOD  A 311 (-3.5A)
None
None
0.80A 3eeyE-4gboA:
undetectable
3eeyE-4gboA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKY_A_DR7A100_1
(PROTEASE)
3mgl SULFATE PERMEASE
FAMILY PROTEIN

(Vibrio
cholerae)
5 / 10 GLY A 538
ALA A 539
GLY A 509
VAL A 444
ILE A 474
IOD  A 604 ( 3.7A)
None
IOD  A 602 ( 3.7A)
None
None
0.91A 3ekyA-3mglA:
undetectable
3ekyA-3mglA:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_C_CHDC151_0
(ILEAL BILE
ACID-BINDING PROTEIN)
3w0f ENDONUCLEASE 8-LIKE
3

(Mus
musculus)
5 / 10 TYR A  74
ILE A 105
ILE A  14
GLY A  76
LEU A 124
None
IOD  A 305 ( 4.3A)
None
IOD  A 302 (-3.4A)
None
1.25A 3elzC-3w0fA:
undetectable
3elzC-3w0fA:
18.57
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.
3EM3_B_478B200_1
(PROTEASE)
3mgl SULFATE PERMEASE
FAMILY PROTEIN

(Vibrio
cholerae)
5 / 10 GLY A 538
ALA A 539
GLY A 509
VAL A 444
ILE A 474
IOD  A 604 ( 3.7A)
None
IOD  A 602 ( 3.7A)
None
None
0.88A 3em3A-3mglA:
undetectable
3em3A-3mglA:
25.19
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.
3G2O_B_SAMB600_0
(PCZA361.24)
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus)
5 / 12 ALA A 329
GLY A 331
LEU A 335
ASP A 388
GLY A 295
SAH  A 900 (-3.2A)
SAH  A 900 (-3.2A)
IOD  A 938 (-4.1A)
SAH  A 900 (-4.1A)
SAH  A 900 ( 3.7A)
1.03A 3g2oB-3s1sA:
11.8
3g2oB-3s1sA:
16.63
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.
3G89_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)
3pfd ACYL-COA
DEHYDROGENASE

(Mycolicibacteriu
m
thermoresistibil
e)
5 / 12 GLY A 323
PHE A 324
ASP A 249
ALA A 246
ARG A 110
None
IOD  A 418 ( 4.9A)
None
None
None
0.98A 3g89A-3pfdA:
undetectable
3g89A-3pfdA:
21.64
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.
3GRV_A_ADNA300_1
(DIMETHYLADENOSINE
TRANSFERASE)
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora)
5 / 11 GLY A 131
GLY A 133
ASN A 194
PRO A 196
ILE A 214
SAH  A 414 (-3.0A)
SAH  A 414 (-2.8A)
TRS  A 415 ( 2.3A)
SAH  A 414 ( 3.2A)
IOD  A 409 (-4.2A)
0.73A 3grvA-5u4tA:
10.2
3grvA-5u4tA:
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.
3H52_A_486A3_1
(GLUCOCORTICOID
RECEPTOR)
3w0f ENDONUCLEASE 8-LIKE
3

(Mus
musculus)
5 / 12 LEU A   9
ASN A  10
GLY A  11
VAL A  77
ILE A 105
None
None
None
IOD  A 302 (-4.6A)
IOD  A 305 ( 4.3A)
1.35A 3h52A-3w0fA:
undetectable
3h52A-3w0fA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HCR_A_CHDA4_0
(FERROCHELATASE,
MITOCHONDRIAL)
3hhc INTERLEUKIN-28B
(Homo
sapiens)
3 / 3 LEU A  90
PRO A  89
LEU A  93
None
IOD  A 164 ( 4.4A)
None
0.53A 3hcrA-3hhcA:
undetectable
3hcrA-3hhcA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJO_A_EAAA211_1
(GLUTATHIONE
S-TRANSFERASE P)
4xkz VALINE-TRNA LIGASE
(Pseudomonas
aeruginosa)
4 / 8 VAL A 665
GLN A 767
ILE A 675
GLY A 733
None
None
IOD  A 902 ( 4.3A)
None
0.82A 3hjoA-4xkzA:
3.6
3hjoA-4xkzA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HZN_G_ACTG225_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
1oxx ABC TRANSPORTER, ATP
BINDING PROTEIN

(Sulfolobus
solfataricus)
3 / 3 PRO K 232
LEU K 228
GLN K 221
None
None
IOD  K1931 (-4.4A)
0.72A 3hznG-1oxxK:
0.0
3hznH-1oxxK:
0.0
3hznG-1oxxK:
22.32
3hznH-1oxxK:
22.32
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.
3I9J_B_NCAB302_0
(ADP-RIBOSYL CYCLASE)
5u22 N2152
(Neocallimastix
frontalis)
4 / 6 LEU A 239
GLU A 198
ASN A 199
SER A 242
None
EDO  A 503 (-4.9A)
IOD  A 508 ( 4.4A)
None
1.34A 3i9jB-5u22A:
undetectable
3i9jB-5u22A:
19.41
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.
3IJX_B_HCZB800_1
(GLUTAMATE RECEPTOR 2)
3ru6 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Campylobacter
jejuni)
5 / 10 PRO A 178
LEU A   3
ILE A 209
PRO A 208
GLY A 206
IOD  A 287 ( 4.1A)
None
None
IOD  A 282 ( 4.1A)
IOD  A 284 ( 4.5A)
1.19A 3ijxB-3ru6A:
undetectable
3ijxD-3ru6A:
undetectable
3ijxB-3ru6A:
21.63
3ijxD-3ru6A:
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.
3IJX_B_HCZB800_1
(GLUTAMATE RECEPTOR 2)
4aio LIMIT DEXTRINASE
(Hordeum
vulgare)
5 / 10 LEU A 676
SER A 672
ILE A 764
SER A 853
SER A 757
None
None
None
IOD  A1893 ( 4.5A)
None
1.37A 3ijxB-4aioA:
undetectable
3ijxD-4aioA:
undetectable
3ijxB-4aioA:
14.89
3ijxD-4aioA:
14.89
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.
3IJX_D_HCZD800_1
(GLUTAMATE RECEPTOR 2)
4aio LIMIT DEXTRINASE
(Hordeum
vulgare)
5 / 9 ILE A 764
SER A 853
SER A 757
LEU A 676
SER A 672
None
IOD  A1893 ( 4.5A)
None
None
None
1.29A 3ijxB-4aioA:
0.0
3ijxD-4aioA:
0.0
3ijxB-4aioA:
14.89
3ijxD-4aioA:
14.89
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.
3ILU_B_HFZB800_1
(GLUTAMATE RECEPTOR 2)
3ru6 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Campylobacter
jejuni)
5 / 10 PRO A 178
LEU A   3
ILE A 209
PRO A 208
GLY A 206
IOD  A 287 ( 4.1A)
None
None
IOD  A 282 ( 4.1A)
IOD  A 284 ( 4.5A)
1.24A 3iluB-3ru6A:
undetectable
3iluE-3ru6A:
undetectable
3iluB-3ru6A:
21.63
3iluE-3ru6A:
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.
3ILU_E_HFZE800_1
(GLUTAMATE RECEPTOR 2)
3ru6 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Campylobacter
jejuni)
5 / 11 ILE A 209
PRO A 208
GLY A 206
PRO A 178
LEU A   3
None
IOD  A 282 ( 4.1A)
IOD  A 284 ( 4.5A)
IOD  A 287 ( 4.1A)
None
1.24A 3iluB-3ru6A:
undetectable
3iluE-3ru6A:
undetectable
3iluB-3ru6A:
21.63
3iluE-3ru6A:
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.
3IW1_A_ASDA1223_1
(CYTOCHROME P450
CYP125)
4zvi DNA GYRASE SUBUNIT B
(Escherichia
coli)
5 / 12 GLN A 275
PRO A 330
SER A 342
VAL A 345
VAL A 325
None
IOD  A 402 (-4.7A)
None
None
None
1.22A 3iw1A-4zviA:
undetectable
3iw1A-4zviA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW3_A_TOPA208_1
(DIHYDROFOLATE
REDUCTASE)
1oxx ABC TRANSPORTER, ATP
BINDING PROTEIN

(Sulfolobus
solfataricus)
5 / 10 LEU K  21
VAL K  24
ILE K  51
LEU K  62
ILE K  26
None
IOD  K1920 ( 4.6A)
None
None
None
1.17A 3jw3A-1oxxK:
2.1
3jw3A-1oxxK:
19.27
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.
3K4V_D_ROCD201_2
(HIV-1 PROTEASE)
4wqe THIOSULFATE
DEHYDROGENASE

(Allochromatium
vinosum)
4 / 4 GLY A 165
ASP A 167
GLY A 185
THR A 231
None
None
IOD  A1004 ( 4.5A)
None
1.04A 3k4vC-4wqeA:
undetectable
3k4vC-4wqeA:
17.74
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.
3KP2_B_PNNB5002_0
(TRANSCRIPTIONAL
REGULATOR TCAR)
5dil NON-STRUCTURAL
PROTEIN 1

(Influenza
B
virus)
4 / 5 ASN A 152
ALA A 155
ARG A 208
LYS A 221
None
None
None
IOD  A 305 (-3.7A)
1.45A 3kp2B-5dilA:
undetectable
3kp2B-5dilA:
23.87
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.
3L8L_B_DVAB6_0
(GRAMICIDIN D)
5gzh ENDO-BETA-1,2-GLUCAN
ASE

(Chitinophaga
pinensis)
3 / 3 TRP A 120
ALA A  52
VAL A  69
None
None
IOD  A 506 ( 4.7A)
0.93A 3l8lA-5gzhA:
undetectable
3l8lB-5gzhA:
undetectable
3l8lA-5gzhA:
3.11
3l8lB-5gzhA:
3.37
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.
3LFA_A_1N1A361_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
4 / 8 ALA A 509
LYS A 511
GLU A 535
LEU A 603
5ID  A1800 (-3.4A)
IOD  A1799 (-3.2A)
None
None
0.40A 3lfaA-2vuwA:
14.6
3lfaA-2vuwA:
24.12
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.
3LM8_A_VIBA223_1
(THIAMINE
PYROPHOSPHOKINASE)
1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.)
4 / 7 LEU A 457
LEU A 488
SER A 490
ASP A 479
EDO  A9081 (-4.5A)
IOD  A9033 (-4.6A)
None
None
1.05A 3lm8A-1xc6A:
2.5
3lm8C-1xc6A:
undetectable
3lm8A-1xc6A:
11.11
3lm8C-1xc6A:
11.11
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.
3LSF_E_PZIE800_0
(GLUTAMATE RECEPTOR 2)
6de8 BIFUNCTIONAL PROTEIN
FOLD

(Campylobacter
jejuni)
5 / 10 PRO A 172
SER A 166
GLY A 170
PRO A 141
ASP A 227
None
IOD  A 303 ( 4.8A)
None
None
None
1.26A 3lsfB-6de8A:
undetectable
3lsfE-6de8A:
undetectable
3lsfB-6de8A:
undetectable
3lsfE-6de8A:
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.
3MG0_K_BO2K1402_1
(PROTEASOME COMPONENT
PRE2
PROTEASOME COMPONENT
C5)
1sd5 PUTATIVE
ANTITERMINATOR

(Mycobacterium
tuberculosis)
6 / 11 ALA A  77
ALA A  76
VAL A  90
ALA A 108
GLY A 107
ALA A 103
None
None
None
IOD  A 407 ( 4.3A)
None
None
1.21A 3mg0K-1sd5A:
undetectable
3mg0L-1sd5A:
undetectable
3mg0K-1sd5A:
21.98
3mg0L-1sd5A:
24.40
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.
3MG0_Y_BO2Y1403_1
(PROTEASOME COMPONENT
PRE2
PROTEASOME COMPONENT
C5)
1sd5 PUTATIVE
ANTITERMINATOR

(Mycobacterium
tuberculosis)
6 / 12 ALA A  77
ALA A  76
VAL A  90
ALA A 108
GLY A 107
ALA A 103
None
None
None
IOD  A 407 ( 4.3A)
None
None
1.22A 3mg0Y-1sd5A:
undetectable
3mg0Z-1sd5A:
undetectable
3mg0Y-1sd5A:
21.98
3mg0Z-1sd5A:
24.40
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.
3MIY_B_B49B2_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
5 / 9 ILE A 490
ALA A 509
LYS A 511
PHE A 605
PHE A 607
None
5ID  A1800 (-3.4A)
IOD  A1799 (-3.2A)
5ID  A1800 (-4.1A)
5ID  A1800 (-4.3A)
0.58A 3miyB-2vuwA:
12.4
3miyB-2vuwA:
24.22
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.
3N8X_A_NIMA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
1oxx ABC TRANSPORTER, ATP
BINDING PROTEIN

(Sulfolobus
solfataricus)
5 / 12 ARG K 210
LEU K 195
PHE K  47
ILE K  26
GLY K 212
IOD  K1917 (-4.5A)
None
None
None
None
1.24A 3n8xA-1oxxK:
undetectable
3n8xA-1oxxK:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDW_A_RITA100_2
(PROTEASE)
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae)
5 / 9 ARG A 193
ALA A  48
ASP A  47
VAL A  35
ILE A  33
None
IOD  A 468 ( 4.2A)
None
None
None
1.08A 3ndwB-1xp4A:
undetectable
3ndwB-1xp4A:
12.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O02_B_JN3B1_1
(CELL INVASION
PROTEIN SIPD)
4kca ENDO-1,5-ALPHA-L-ARA
BINANASE

(Bos
taurus)
5 / 10 ASN A  83
ALA A  22
LEU A 103
ASN A 106
LEU A 107
None
IOD  A 722 ( 4.5A)
None
None
IOD  A 722 ( 4.8A)
1.14A 3o02A-4kcaA:
undetectable
3o02B-4kcaA:
undetectable
3o02A-4kcaA:
18.76
3o02B-4kcaA:
18.76
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.
3P2K_A_SAMA6735_0
(16S RRNA METHYLASE)
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora)
6 / 12 GLY A 135
GLY A 133
ASN A 194
ALA A 165
LEU A 137
THR A 174
None
SAH  A 414 (-2.8A)
TRS  A 415 ( 2.3A)
None
SAH  A 414 ( 3.7A)
IOD  A 405 ( 4.3A)
1.42A 3p2kA-5u4tA:
7.4
3p2kA-5u4tA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P2K_B_SAMB6735_0
(16S RRNA METHYLASE)
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora)
6 / 12 GLY A 135
GLY A 133
ASN A 194
ALA A 165
LEU A 137
THR A 174
None
SAH  A 414 (-2.8A)
TRS  A 415 ( 2.3A)
None
SAH  A 414 ( 3.7A)
IOD  A 405 ( 4.3A)
1.44A 3p2kB-5u4tA:
7.4
3p2kB-5u4tA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PGH_B_FLPB701_1
(CYCLOOXYGENASE-2)
3gqx NOP5P PROTEIN
(Pyrococcus
horikoshii)
5 / 11 ARG B 343
LEU B 270
LEU B 277
GLY B 336
ALA B 339
None
None
IOD  B   3 ( 4.8A)
None
None
1.03A 3pghB-3gqxB:
undetectable
3pghB-3gqxB:
16.19
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.
3PGH_D_FLPD701_1
(CYCLOOXYGENASE-2)
3gqx NOP5P PROTEIN
(Pyrococcus
horikoshii)
5 / 12 ARG B 343
LEU B 270
LEU B 277
GLY B 336
ALA B 339
None
None
IOD  B   3 ( 4.8A)
None
None
1.03A 3pghD-3gqxB:
undetectable
3pghD-3gqxB:
16.19
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.
3PS9_A_SAMA670_1
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)
5ygu DIAMINOPIMELATE
EPIMERASE

(Escherichia
coli)
4 / 6 TYR A 139
GLY A 151
THR A 138
LEU A 149
None
None
None
IOD  A 306 ( 4.4A)
1.00A 3ps9A-5yguA:
undetectable
3ps9A-5yguA:
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.
3QOW_A_SAMA417_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE)
4gs5 ACYL-COA SYNTHETASE
(AMP-FORMING)/AMP-AC
ID LIGASE II-LIKE
PROTEIN

(Dyadobacter
fermentans)
3 / 3 THR A   8
ASP A 100
GLU A  98
IOD  A 412 ( 4.6A)
None
None
0.69A 3qowA-4gs5A:
3.1
3qowA-4gs5A:
22.22
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.
3SEL_X_DXCX75_0
(CYTOCHROME C7)
4izg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Paracoccus
denitrificans)
4 / 8 ILE A 308
LEU A 267
LYS A 114
GLY A  47
None
None
IOD  A 402 (-3.6A)
None
1.02A 3selX-4izgA:
undetectable
3selX-4izgA:
10.71
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.
3SP9_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)
3ru6 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Campylobacter
jejuni)
5 / 12 LEU A 116
PHE A  61
ILE A  55
LEU A 172
VAL A 152
IOD  A 285 ( 4.8A)
None
None
None
None
1.25A 3sp9A-3ru6A:
undetectable
3sp9A-3ru6A:
25.36
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.
3SP9_B_IL2B901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)
3ru6 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Campylobacter
jejuni)
5 / 12 LEU A 116
PHE A  61
ILE A  55
LEU A 172
VAL A 152
IOD  A 285 ( 4.8A)
None
None
None
None
1.23A 3sp9B-3ru6A:
undetectable
3sp9B-3ru6A:
25.36
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.
3SUD_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)
3s6l HEP_HAG FAMILY
(Burkholderia
pseudomallei)
5 / 12 GLY A  71
GLY A  99
ALA A  88
ALA A  90
ALA A 104
None
IOD  A 179 ( 3.9A)
None
None
None
0.98A 3sudA-3s6lA:
undetectable
3sudA-3s6lA:
24.88
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.
3SUD_D_SUED1201_1
(NS3 PROTEASE, NS4A
PROTEIN)
3s6l HEP_HAG FAMILY
(Burkholderia
pseudomallei)
5 / 12 GLY A  71
GLY A  99
ALA A  88
ALA A  90
ALA A 104
None
IOD  A 179 ( 3.9A)
None
None
None
1.03A 3sudD-3s6lA:
undetectable
3sudD-3s6lA:
24.88
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.
3T3S_F_9PLF1_1
(CYTOCHROME P450 2A13)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
4 / 8 ALA A 265
PHE A  38
PHE A 244
ALA A 241
IOD  A 307 ( 4.6A)
None
None
None
0.91A 3t3sF-4xf7A:
undetectable
3t3sF-4xf7A:
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.
3TI1_A_B49A299_1
(CYCLIN-DEPENDENT
KINASE 2)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
5 / 9 PHE A 605
PHE A 607
ASP A 611
LEU A 656
ASP A 687
5ID  A1800 (-4.1A)
5ID  A1800 (-4.3A)
5ID  A1800 (-3.6A)
5ID  A1800 (-4.5A)
IOD  A1799 (-4.0A)
0.94A 3ti1A-2vuwA:
16.0
3ti1A-2vuwA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TPX_E_ACTE204_0
(E3 UBIQUITIN-PROTEIN
LIGASE MDM2)
3fgw PUTATIVE
PHOSPHOLIPASE B-LIKE
2

(Mus
musculus)
3 / 3 LYS A 215
PRO A 216
LEU A 217
IOD  A  16 (-4.5A)
IOD  A  16 ( 4.2A)
IOD  A  16 (-4.3A)
0.66A 3tpxE-3fgwA:
undetectable
3tpxE-3fgwA:
12.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TWP_D_SALD404_1
(ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE)
4hjh PHOSPHOMANNOMUTASE
(Brucella
melitensis)
4 / 5 ALA A  25
PRO A  24
TYR A  26
ALA A 143
None
None
None
IOD  A 517 ( 3.8A)
1.41A 3twpD-4hjhA:
undetectable
3twpD-4hjhA:
26.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
5n15 BROMODOMAIN-CONTAINI
NG FACTOR 1

(Candida
albicans)
5 / 7 PRO A 233
LEU A 243
ASN A 291
ILE A 297
MET A 300
IOD  A 405 ( 4.4A)
None
IOD  A 404 (-3.9A)
IOD  A 404 ( 4.8A)
None
0.66A 3u5jA-5n15A:
18.5
3u5jA-5n15A:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U5K_A_08JA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
5n15 BROMODOMAIN-CONTAINI
NG FACTOR 1

(Candida
albicans)
5 / 8 PRO A 233
VAL A 238
ASN A 291
ILE A 297
MET A 300
IOD  A 405 ( 4.4A)
None
IOD  A 404 (-3.9A)
IOD  A 404 ( 4.8A)
None
0.40A 3u5kA-5n15A:
18.6
3u5kA-5n15A:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U5K_A_08JA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
5n15 BROMODOMAIN-CONTAINI
NG FACTOR 1

(Candida
albicans)
4 / 8 PRO A 233
VAL A 238
LEU A 243
MET A 300
IOD  A 405 ( 4.4A)
None
None
None
0.53A 3u5kA-5n15A:
18.6
3u5kA-5n15A:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U5K_B_08JB2_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
5n15 BROMODOMAIN-CONTAINI
NG FACTOR 1

(Candida
albicans)
4 / 7 PRO A 233
VAL A 238
ASN A 291
ILE A 297
IOD  A 405 ( 4.4A)
None
IOD  A 404 (-3.9A)
IOD  A 404 ( 4.8A)
0.25A 3u5kB-5n15A:
18.5
3u5kB-5n15A:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U5K_B_08JB2_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
5n15 BROMODOMAIN-CONTAINI
NG FACTOR 1

(Candida
albicans)
4 / 7 PRO A 233
VAL A 238
LEU A 243
ILE A 297
IOD  A 405 ( 4.4A)
None
None
IOD  A 404 ( 4.8A)
0.58A 3u5kB-5n15A:
18.5
3u5kB-5n15A:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U5K_C_08JC3_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
5n15 BROMODOMAIN-CONTAINI
NG FACTOR 1

(Candida
albicans)
5 / 8 PRO A 233
VAL A 238
ASN A 291
ILE A 297
MET A 300
IOD  A 405 ( 4.4A)
None
IOD  A 404 (-3.9A)
IOD  A 404 ( 4.8A)
None
0.39A 3u5kC-5n15A:
18.1
3u5kC-5n15A:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U5K_C_08JC3_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
5n15 BROMODOMAIN-CONTAINI
NG FACTOR 1

(Candida
albicans)
5 / 8 PRO A 233
VAL A 238
LEU A 243
ILE A 297
MET A 300
IOD  A 405 ( 4.4A)
None
None
IOD  A 404 ( 4.8A)
None
0.56A 3u5kC-5n15A:
18.1
3u5kC-5n15A:
35.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U5K_D_08JD4_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
5n15 BROMODOMAIN-CONTAINI
NG FACTOR 1

(Candida
albicans)
5 / 8 PRO A 233
VAL A 238
ASN A 291
ILE A 297
MET A 300
IOD  A 405 ( 4.4A)
None
IOD  A 404 (-3.9A)
IOD  A 404 ( 4.8A)
None
0.44A 3u5kD-5n15A:
18.2
3u5kD-5n15A:
35.97
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.
3UCB_A_017A201_1
(PROTEASE)
5ygu DIAMINOPIMELATE
EPIMERASE

(Escherichia
coli)
5 / 12 GLY A 218
ALA A 221
ILE A 202
GLY A 192
VAL A 240
IOD  A 308 ( 3.7A)
None
None
None
None
1.05A 3ucbA-5yguA:
undetectable
3ucbA-5yguA:
22.22
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.
3V4T_H_ACTH502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)
1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.)
3 / 3 SER A 562
GLY A 561
GLN A 559
None
None
IOD  A9043 ( 3.6A)
0.36A 3v4tH-1xc6A:
0.0
3v4tH-1xc6A:
18.50
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.
3V5W_A_8PRA701_1
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
7 / 12 ILE A 490
GLY A 493
GLY A 496
VAL A 498
ALA A 509
LYS A 511
ASP A 687
None
None
None
5ID  A1800 ( 4.5A)
5ID  A1800 (-3.4A)
IOD  A1799 (-3.2A)
IOD  A1799 (-4.0A)
0.60A 3v5wA-2vuwA:
17.1
3v5wA-2vuwA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V8V_A_SAMA801_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)
2xnh DNA TOPOISOMERASE
2-BINDING PROTEIN 1

(Homo
sapiens)
5 / 12 PRO A  95
MET A 130
GLY A 132
SER A 107
PRO A 100
None
IOD  A1294 ( 4.0A)
None
None
IOD  A1294 ( 4.5A)
1.18A 3v8vA-2xnhA:
undetectable
3v8vA-2xnhA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W67_B_VIVB301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)
5suo EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Streptococcus
pneumoniae)
5 / 12 LEU A 169
VAL A 199
ILE A 308
VAL A 188
LEU A 189
IOD  A 515 ( 4.6A)
None
None
None
None
1.06A 3w67B-5suoA:
undetectable
3w67B-5suoA:
21.22
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.
3WAR_A_NIOA401_1
(CASEIN KINASE II
SUBUNIT ALPHA)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
6 / 8 VAL A 498
LYS A 511
ILE A 557
PHE A 605
ILE A 686
ASP A 687
5ID  A1800 ( 4.5A)
IOD  A1799 (-3.2A)
5ID  A1800 ( 4.5A)
5ID  A1800 (-4.1A)
IOD  A1799 (-4.2A)
IOD  A1799 (-4.0A)
0.60A 3warA-2vuwA:
16.5
3warA-2vuwA:
22.49
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.
3WG7_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3w0f ENDONUCLEASE 8-LIKE
3

(Mus
musculus)
4 / 6 ILE A 105
TYR A  74
MET A  86
LEU A  84
IOD  A 305 ( 4.3A)
None
None
None
1.02A 3wg7N-3w0fA:
undetectable
3wg7W-3w0fA:
undetectable
3wg7N-3w0fA:
20.08
3wg7W-3w0fA:
12.46
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.
3WXO_A_NIZA803_1
(CATALASE-PEROXIDASE)
4iqz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Escherichia
coli)
4 / 4 ASP A 208
THR A 118
VAL A 202
SER A 121
None
None
IOD  A 303 ( 4.2A)
NA  A 317 ( 4.2A)
1.24A 3wxoA-4iqzA:
undetectable
3wxoA-4iqzA:
16.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZNC_A_BZ1A500_1
(CARBONIC ANHYDRASE
IV)
3dhx METHIONINE IMPORT
ATP-BINDING PROTEIN
METN

(Escherichia
coli)
5 / 10 HIS A  88
VAL A  90
PHE A  28
LEU A  38
THR A  41
None
None
None
IOD  A 263 ( 4.3A)
None
1.48A 3zncA-3dhxA:
undetectable
3zncA-3dhxA:
14.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A9J_A_TYLA1188_1
(BROMODOMAIN
CONTAINING 2)
5n15 BROMODOMAIN-CONTAINI
NG FACTOR 1

(Candida
albicans)
4 / 5 VAL A 238
LEU A 243
ASN A 291
ILE A 297
None
None
IOD  A 404 (-3.9A)
IOD  A 404 ( 4.8A)
0.41A 4a9jA-5n15A:
16.9
4a9jA-5n15A:
31.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A9J_B_TYLB1187_1
(BROMODOMAIN
CONTAINING 2)
5n15 BROMODOMAIN-CONTAINI
NG FACTOR 1

(Candida
albicans)
4 / 5 VAL A 238
LEU A 243
ASN A 291
ILE A 297
None
None
IOD  A 404 (-3.9A)
IOD  A 404 ( 4.8A)
0.55A 4a9jB-5n15A:
17.1
4a9jB-5n15A:
31.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4A9J_C_TYLC1184_1
(BROMODOMAIN
CONTAINING 2)
5n15 BROMODOMAIN-CONTAINI
NG FACTOR 1

(Candida
albicans)
4 / 5 VAL A 238
LEU A 243
ASN A 291
ILE A 297
None
None
IOD  A 404 (-3.9A)
IOD  A 404 ( 4.8A)
0.62A 4a9jC-5n15A:
16.7
4a9jC-5n15A:
31.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AC9_C_DXCC1476_0
(MJ0495-LIKE PROTEIN)
4j8f HEAT SHOCK 70 KDA
PROTEIN 1A/1B,
HSC70-INTERACTING
PROTEIN

(Homo
sapiens;
Rattus
norvegicus)
4 / 5 ILE A 389
ALA A 534
HIS A 540
ARG A 541
IOD  A 606 ( 4.7A)
None
None
None
1.19A 4ac9B-4j8fA:
2.4
4ac9C-4j8fA:
2.2
4ac9B-4j8fA:
23.62
4ac9C-4j8fA:
23.62
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.
4AC9_C_DXCC1478_0
(MJ0495-LIKE PROTEIN)
3otd TRNA(HIS)
GUANYLYLTRANSFERASE

(Homo
sapiens)
4 / 7 ASP A 251
GLY A 209
THR A 210
PHE A 257
None
None
IOD  A 270 ( 4.6A)
None
0.68A 4ac9C-3otdA:
undetectable
4ac9C-3otdA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ACA_B_DXCB1473_0
(TRANSLATION
ELONGATION FACTOR
SELB)
4iqz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Escherichia
coli)
5 / 9 ASP A  96
ILE A  47
GLY A  97
VAL A  41
GLY A  45
None
None
None
None
IOD  A 302 ( 4.0A)
1.28A 4acaB-4iqzA:
undetectable
4acaC-4iqzA:
undetectable
4acaB-4iqzA:
23.16
4acaC-4iqzA:
23.16
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.
4ACA_C_DXCC1476_0
(TRANSLATION
ELONGATION FACTOR
SELB)
4j8f HEAT SHOCK 70 KDA
PROTEIN 1A/1B,
HSC70-INTERACTING
PROTEIN

(Homo
sapiens;
Rattus
norvegicus)
4 / 5 ILE A 389
ALA A 534
HIS A 540
ARG A 541
IOD  A 606 ( 4.7A)
None
None
None
1.25A 4acaB-4j8fA:
undetectable
4acaC-4j8fA:
2.2
4acaB-4j8fA:
23.62
4acaC-4j8fA:
23.62
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.
4ACA_C_DXCC1478_0
(TRANSLATION
ELONGATION FACTOR
SELB)
3otd TRNA(HIS)
GUANYLYLTRANSFERASE

(Homo
sapiens)
4 / 7 ASP A 251
GLY A 209
THR A 210
PHE A 257
None
None
IOD  A 270 ( 4.6A)
None
0.69A 4acaC-3otdA:
undetectable
4acaC-3otdA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BLV_A_SAMA1281_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)
4wqe THIOSULFATE
DEHYDROGENASE

(Allochromatium
vinosum)
5 / 12 LEU A  47
ASP A 167
GLY A 170
HIS A  51
GLY A 185
HEC  A1001 (-4.2A)
None
None
HEC  A1002 (-4.9A)
IOD  A1004 ( 4.5A)
1.08A 4blvA-4wqeA:
undetectable
4blvA-4wqeA:
24.26
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.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)
3qd5 PUTATIVE
RIBOSE-5-PHOSPHATE
ISOMERASE

(Coccidioides
immitis)
5 / 10 GLY A 118
ALA A  18
GLY A  77
VAL A  82
CYH A  15
CSO  A  76 ( 3.4A)
IOD  A 171 ( 4.3A)
CSO  A  76 (-2.3A)
CSO  A  76 ( 3.8A)
None
1.39A 4c5nD-3qd5A:
3.2
4c5nD-3qd5A:
21.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
5n15 BROMODOMAIN-CONTAINI
NG FACTOR 1

(Candida
albicans)
6 / 9 PRO A 233
VAL A 238
LEU A 243
ASN A 291
ILE A 297
MET A 300
IOD  A 405 ( 4.4A)
None
None
IOD  A 404 (-3.9A)
IOD  A 404 ( 4.8A)
None
0.55A 4c66A-5n15A:
18.4
4c66A-5n15A:
36.23
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.
4CUT_A_TYLA2971_1
(BROMODOMAIN ADJACENT
TO ZINC FINGER
DOMAIN PROTEIN 2B)
5n15 BROMODOMAIN-CONTAINI
NG FACTOR 1

(Candida
albicans)
4 / 4 VAL A 238
VAL A 245
ASN A 291
ILE A 297
None
IOD  A 401 ( 4.1A)
IOD  A 404 (-3.9A)
IOD  A 404 ( 4.8A)
0.83A 4cutA-5n15A:
14.6
4cutA-5n15A:
28.78
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.
4D1Y_A_RBFA1176_1
(PUTATIVE PROTEASE I)
1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.)
4 / 8 GLN A1001
ASN A 962
THR A 961
TRP A 963
None
None
IOD  A9037 ( 4.3A)
IOD  A9037 (-4.5A)
1.13A 4d1yA-1xc6A:
undetectable
4d1yB-1xc6A:
undetectable
4d1yA-1xc6A:
11.35
4d1yB-1xc6A:
11.35
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.
4D1Y_A_RBFA1176_1
(PUTATIVE PROTEASE I)
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus)
4 / 8 ASN A 259
ASN A 253
THR A 252
TRP A 258
IOD  A 935 ( 4.7A)
None
None
None
1.15A 4d1yA-3s1sA:
2.6
4d1yB-3s1sA:
2.8
4d1yA-3s1sA:
12.76
4d1yB-3s1sA:
12.76
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.
4D7B_B_TCWB1126_1
(TRANSTHYRETIN)
1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.)
4 / 7 THR A 666
ALA A 664
SER A 662
THR A 627
None
None
IOD  A9040 (-3.0A)
None
0.96A 4d7bA-1xc6A:
undetectable
4d7bA-1xc6A:
8.92
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.
4DTA_B_ADNB401_1
(APH(2'')-ID)
3pm6 PUTATIVE
FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Coccidioides
immitis)
4 / 8 PRO A  56
ILE A  59
ILE A  93
ASP A  90
IOD  A 303 ( 4.6A)
None
IOD  A 304 (-4.2A)
None
0.83A 4dtaB-3pm6A:
undetectable
4dtaB-3pm6A:
21.59
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.
4E7B_C_ACTC513_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)
4kca ENDO-1,5-ALPHA-L-ARA
BINANASE

(Bos
taurus)
3 / 3 TYR A 405
HIS A 559
ARG A 560
None
None
IOD  A 706 (-4.6A)
1.19A 4e7bC-4kcaA:
undetectable
4e7bC-4kcaA:
23.71
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.
4EJG_D_NCTD501_1
(CYTOCHROME P450 2A13)
5ncw SERPIN-TYPE
PROTEINASE
INHIBITOR, MIROPIN

(Tannerella
forsythia)
5 / 6 PHE A   8
ASN A  37
ALA A  35
THR A 323
LEU A 271
None
IOD  A 507 ( 4.8A)
None
None
None
1.47A 4ejgD-5ncwA:
undetectable
4ejgD-5ncwA:
22.39
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.
4FP9_D_SAMD401_0
(METHYLTRANSFERASE
NSUN4)
4e9o IMV MEMBRANE PROTEIN
(Vaccinia
virus)
5 / 12 GLY X  50
GLY X  49
LYS X  48
ASP X 112
GLY X 113
IOD  X 306 ( 4.6A)
IOD  X 306 ( 4.4A)
None
None
None
0.79A 4fp9D-4e9oX:
undetectable
4fp9D-4e9oX:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FZV_A_SAMA401_0
(PUTATIVE
METHYLTRANSFERASE
NSUN4)
4e9o IMV MEMBRANE PROTEIN
(Vaccinia
virus)
5 / 12 GLY X  50
GLY X  49
LYS X  48
ASP X 112
GLY X 113
IOD  X 306 ( 4.6A)
IOD  X 306 ( 4.4A)
None
None
None
0.82A 4fzvA-4e9oX:
undetectable
4fzvA-4e9oX:
18.56
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.
4GC9_A_SAMA401_1
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)
3jtn ADAPTER PROTEIN MECA
2

(Bacillus
subtilis)
3 / 3 GLU A  42
ASP A  43
ASP A   2
IOD  A  95 (-4.9A)
None
None
0.73A 4gc9A-3jtnA:
undetectable
4gc9A-3jtnA:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I00_A_ZMRA509_2
(NEURAMINIDASE)
6ax6 PROCOLLAGEN LYSYL
HYDROXYLASE AND
GLYCOSYLTRANSFERASE

(Acanthamoeba
polyphaga
mimivirus)
4 / 5 LEU A 778
TRP A 782
ILE A 835
ASN A 838
None
None
None
IOD  A 907 ( 4.7A)
1.40A 4i00A-6ax6A:
undetectable
4i00A-6ax6A:
11.32
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.
4I22_A_IREA9001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo
sapiens)
8 / 12 LEU A  15
VAL A  23
ALA A  36
LYS A  38
LEU A  84
MET A  86
GLY A  92
THR A 156
BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
BX7  A 401 ( 4.0A)
None
BX7  A 401 (-4.5A)
BX7  A 401 (-3.5A)
IOD  A 402 ( 3.4A)
0.79A 4i22A-4eutA:
19.1
4i22A-4eutA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I22_A_IREA9001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4euu SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo
sapiens)
8 / 12 LEU A  15
VAL A  23
ALA A  36
LYS A  38
LEU A  84
MET A  86
GLY A  92
THR A 156
BX7  A 401 (-3.9A)
BX7  A 401 ( 4.6A)
BX7  A 401 (-3.4A)
BX7  A 401 (-3.5A)
None
BX7  A 401 (-3.7A)
BX7  A 401 (-3.3A)
IOD  A 402 ( 3.5A)
0.79A 4i22A-4euuA:
16.2
4i22A-4euuA:
26.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I41_A_MIXA500_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
10 / 12 PHE A 495
VAL A 498
ALA A 509
ILE A 557
ASP A 611
ASP A 649
ASN A 654
LEU A 656
ILE A 686
ASP A 687
None
5ID  A1800 ( 4.5A)
5ID  A1800 (-3.4A)
5ID  A1800 ( 4.5A)
5ID  A1800 (-3.6A)
None
None
5ID  A1800 (-4.5A)
IOD  A1799 (-4.2A)
IOD  A1799 (-4.0A)
0.84A 4i41A-2vuwA:
17.2
4i41A-2vuwA:
25.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IAA_A_RTZA401_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
7 / 11 VAL A 498
ALA A 509
LYS A 511
ASP A 611
LEU A 656
ILE A 686
ASP A 687
5ID  A1800 ( 4.5A)
5ID  A1800 (-3.4A)
IOD  A1799 (-3.2A)
5ID  A1800 (-3.6A)
5ID  A1800 (-4.5A)
IOD  A1799 (-4.2A)
IOD  A1799 (-4.0A)
0.79A 4iaaA-2vuwA:
16.8
4iaaA-2vuwA:
25.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IAR_A_ERMA2001_1
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 1B AND E.
COLI SOLUBLE
CYTOCHROME B562)
1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.)
5 / 12 LEU A 462
VAL A 546
ALA A 454
LEU A 567
THR A 491
IOD  A9056 (-4.2A)
None
IOD  A9033 ( 4.4A)
None
None
1.49A 4iarA-1xc6A:
undetectable
4iarA-1xc6A:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IFG_A_1E8A601_1
(CALMODULIN-DOMAIN
PROTEIN KINASE 1)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
7 / 12 GLY A 491
VAL A 498
ALA A 509
LEU A 559
LEU A 603
LEU A 656
ILE A 686
5ID  A1800 (-3.5A)
5ID  A1800 ( 4.5A)
5ID  A1800 (-3.4A)
None
None
5ID  A1800 (-4.5A)
IOD  A1799 (-4.2A)
0.54A 4ifgA-2vuwA:
14.4
4ifgA-2vuwA:
22.12
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.
4IOM_A_FOLA608_0
(FORMATE--TETRAHYDROF
OLATE LIGASE)
3da8 PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN

(Mycobacterium
tuberculosis)
4 / 7 ALA A  56
PRO A  62
LEU A  30
LEU A  26
None
None
None
IOD  A 603 (-4.8A)
1.01A 4iomA-3da8A:
2.4
4iomA-3da8A:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J6C_A_STRA501_1
(CYTOCHROME P450
MONOOXYGENASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 11 GLN A 236
ALA A 237
ALA A 241
THR A 245
LEU A  35
IOD  A 307 ( 4.7A)
None
None
ACP  A 302 (-3.8A)
None
0.84A 4j6cA-4xf7A:
undetectable
4j6cA-4xf7A:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J6C_B_STRB503_1
(CYTOCHROME P450
MONOOXYGENASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 10 GLN A 236
ALA A 237
ALA A 241
THR A 245
LEU A  35
IOD  A 307 ( 4.7A)
None
None
ACP  A 302 (-3.8A)
None
0.85A 4j6cB-4xf7A:
undetectable
4j6cB-4xf7A:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JBT_A_ASDA501_1
(CYTOCHROME P450
MONOOXYGENASE)
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis)
5 / 12 GLN A 236
ALA A 237
ALA A 241
THR A 245
LEU A  35
IOD  A 307 ( 4.7A)
None
None
ACP  A 302 (-3.8A)
None
0.86A 4jbtA-4xf7A:
undetectable
4jbtA-4xf7A:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JTR_A_IBPA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)
5suo EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Streptococcus
pneumoniae)
4 / 8 TYR A 377
VAL A 353
TYR A 354
LEU A 294
None
None
None
IOD  A 505 ( 4.9A)
1.01A 4jtrA-5suoA:
undetectable
4jtrA-5suoA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K4Y_A_ACTA502_0
(RNA-DEPENDENT RNA
POLYMERASE)
4ifq NUCLEOPORIN NUP192
(Saccharomyces
cerevisiae)
4 / 5 LYS A 782
LEU A 781
GLU A 863
LEU A 864
IOD  A1008 ( 4.1A)
None
None
None
1.24A 4k4yA-4ifqA:
2.3
4k4yA-4ifqA:
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.
4K4Y_I_ACTI503_0
(RNA-DEPENDENT RNA
POLYMERASE)
4ifq NUCLEOPORIN NUP192
(Saccharomyces
cerevisiae)
4 / 5 LYS A 782
LEU A 781
GLU A 863
LEU A 864
IOD  A1008 ( 4.1A)
None
None
None
1.25A 4k4yI-4ifqA:
2.4
4k4yI-4ifqA:
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.
4KEB_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)
6b4m MONOTREME LACTATION
PROTEIN

(Ornithorhynchus
anatinus)
5 / 12 LEU A 159
PHE A 142
PHE A 141
ILE A  51
LEU A  41
None
None
None
None
IOD  A 403 ( 4.8A)
1.10A 4kebB-6b4mA:
undetectable
4kebB-6b4mA:
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.
4KFJ_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)
3pfd ACYL-COA
DEHYDROGENASE

(Mycolicibacteriu
m
thermoresistibil
e)
6 / 12 LEU A 115
ILE A 228
PRO A 229
LEU A 159
VAL A 177
THR A 243
None
None
IOD  A 408 ( 3.9A)
None
None
None
1.38A 4kfjB-3pfdA:
undetectable
4kfjB-3pfdA:
20.57
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.
4KOE_F_TR6F101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA2)
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei)
4 / 6 ARG A 258
GLY A 216
ASP A 217
GLY A 227
None
None
IOD  A 342 ( 4.5A)
None
0.95A 4koeA-3menA:
undetectable
4koeB-3menA:
undetectable
4koeC-3menA:
undetectable
4koeA-3menA:
20.83
4koeB-3menA:
20.83
4koeC-3menA:
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.
4KR3_A_GLYA701_0
(GLYCINE--TRNA LIGASE)
5a11 THIOCYANATE FORMING
PROTEIN

(Thlaspi
arvense)
4 / 6 ARG A 157
GLU A 220
GLU A 266
SER A 249
IOD  A1349 (-4.5A)
None
None
None
1.31A 4kr3A-5a11A:
undetectable
4kr3A-5a11A:
19.77
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.
4KUO_A_RBFA500_1
(BLUE-LIGHT
PHOTORECEPTOR)
5ygu DIAMINOPIMELATE
EPIMERASE

(Escherichia
coli)
5 / 12 VAL A 206
ASN A  11
GLN A  72
LEU A 247
ASN A 157
None
IOD  A 308 (-4.5A)
TLA  A 301 (-3.2A)
None
TLA  A 301 (-3.4A)
1.37A 4kuoA-5yguA:
undetectable
4kuoA-5yguA:
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.
4L9I_B_8PRB601_1
(RHODOPSIN KINASE)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
6 / 8 GLY A 493
VAL A 498
ALA A 509
LYS A 511
ASP A 611
LEU A 656
None
5ID  A1800 ( 4.5A)
5ID  A1800 (-3.4A)
IOD  A1799 (-3.2A)
5ID  A1800 (-3.6A)
5ID  A1800 (-4.5A)
0.92A 4l9iB-2vuwA:
15.6
4l9iB-2vuwA:
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
2xnh DNA TOPOISOMERASE
2-BINDING PROTEIN 1

(Homo
sapiens)
5 / 12 LEU A 167
PRO A 169
TYR A 156
LEU A 201
GLY A 274
None
IOD  A1299 ( 4.7A)
None
None
None
1.32A 4l9qA-2xnhA:
undetectable
4l9qA-2xnhA:
18.26
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.
4LL3_A_017A202_2
(PROTEASE)
4m73 METHYLTRANSFERASE
MPPJ

(Streptomyces
hygroscopicus)
5 / 9 ARG A 259
ALA A 218
VAL A 224
GLY A 187
ILE A 221
None
SAH  A 401 (-3.5A)
IOD  A 411 ( 4.8A)
None
None
1.21A 4ll3B-4m73A:
undetectable
4ll3B-4m73A:
17.01
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.
4M5M_A_DX4A401_0
(2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE)
5jvf SITE-DETERMINING
PROTEIN

(Pseudomonas
aeruginosa)
4 / 8 LEU A 263
ASN A 258
ARG A 260
PHE A 265
IOD  A 302 (-4.9A)
IOD  A 302 ( 4.9A)
None
None
0.79A 4m5mA-5jvfA:
undetectable
4m5mA-5jvfA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
6b4m MONOTREME LACTATION
PROTEIN

(Ornithorhynchus
anatinus)
5 / 12 LEU A 159
PHE A 142
PHE A 141
ILE A  51
LEU A  41
None
None
None
None
IOD  A 403 ( 4.8A)
1.10A 4m6kA-6b4mA:
undetectable
4m6kA-6b4mA:
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.
4M93_B_ACTB305_0
(S25-26 FAB (IGG1K)
HEAVY CHAIN)
5w0m TERMINAL
URIDYLYLTRANSFERASE
7

(Homo
sapiens)
4 / 4 SER A1170
THR A1174
PHE A1052
LYS A1152
SO4  A1401 (-2.8A)
IOD  A1404 (-3.7A)
None
SO4  A1401 ( 2.7A)
1.32A 4m93B-5w0mA:
undetectable
4m93B-5w0mA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MBS_A_MRVA1101_2
(CHIMERA PROTEIN OF
C-C CHEMOKINE
RECEPTOR TYPE 5 AND
RUBREDOXIN)
4kca ENDO-1,5-ALPHA-L-ARA
BINANASE

(Bos
taurus)
4 / 7 LEU A 247
THR A 249
THR A 322
MET A 332
None
IOD  A 730 (-4.3A)
None
None
0.94A 4mbsA-4kcaA:
undetectable
4mbsA-4kcaA:
20.17
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.
4MK4_B_CHDB502_0
(FERROCHELATASE,
MITOCHONDRIAL)
5u84 ACID CERAMIDASE
(Balaenoptera
acutorostrata)
4 / 6 PHE A 191
MET A 210
ILE A  52
ARG A  61
None
None
None
IOD  A 430 ( 4.3A)
1.42A 4mk4B-5u84A:
undetectable
4mk4B-5u84A:
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.
4MM8_A_RFXA603_1
(TRANSPORTER)
3qs2 FIMBRILLIN MATB
HOMOLOG

(Escherichia
coli)
5 / 12 VAL A 148
ALA A 147
GLY A 144
ASP A 150
THR A 153
IOD  A 205 ( 4.0A)
None
None
None
None
1.22A 4mm8A-3qs2A:
undetectable
4mm8A-3qs2A:
16.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMA_A_CXXA603_1
(TRANSPORTER)
3qd5 PUTATIVE
RIBOSE-5-PHOSPHATE
ISOMERASE

(Coccidioides
immitis)
5 / 11 PRO A  54
VAL A  56
ALA A  57
GLY A  81
THR A  51
IOD  A 174 ( 4.4A)
None
None
CSO  A  76 (-3.4A)
None
1.21A 4mmaA-3qd5A:
undetectable
4mmaA-3qd5A:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWV_A_BCZA513_1
(NEURAMINIDASE)
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus)
3 / 3 ARG A 498
GLU A 503
ARG A  88
IOD  A 948 ( 4.1A)
None
IOD  A 948 ( 3.7A)
0.85A 4mwvA-3s1sA:
undetectable
4mwvA-3s1sA:
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.
4N09_A_ADNA401_1
(ADENOSINE KINASE)
3oib ACYL-COA
DEHYDROGENASE

(Mycolicibacteriu
m
smegmatis)
5 / 12 CYH A 113
LEU A  62
GLY A  73
ALA A  66
PHE A 111
None
IOD  A 502 ( 4.4A)
None
None
None
1.20A 4n09A-3oibA:
undetectable
4n09A-3oibA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NED_A_PFNA709_1
(LACTOTRANSFERRIN)
4hjh PHOSPHOMANNOMUTASE
(Brucella
melitensis)
4 / 6 ASP A 261
VAL A 258
SER A 372
ALA A 285
None
IOD  A 534 ( 4.6A)
IOD  A 508 ( 4.3A)
None
1.19A 4nedA-4hjhA:
undetectable
4nedA-4hjhA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJU_A_TPVA500_2
(PROTEASE)
5suo EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Streptococcus
pneumoniae)
5 / 10 LEU A 228
ASP A 215
VAL A 235
THR A 232
ILE A 226
IOD  A 506 ( 4.3A)
IOD  A 516 ( 4.8A)
None
None
None
0.94A 4njuB-5suoA:
undetectable
4njuB-5suoA:
11.88
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.
4NJU_C_TPVC500_2
(PROTEASE)
5suo EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Streptococcus
pneumoniae)
5 / 10 LEU A 228
ASP A 215
VAL A 235
THR A 232
ILE A 226
IOD  A 506 ( 4.3A)
IOD  A 516 ( 4.8A)
None
None
None
0.95A 4njuD-5suoA:
undetectable
4njuD-5suoA:
11.88
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.
4NJV_D_RITD500_1
(PROTEASE)
1oxx ABC TRANSPORTER, ATP
BINDING PROTEIN

(Sulfolobus
solfataricus)
5 / 11 GLY K 249
VAL K 265
ILE K 347
GLY K 275
ILE K 235
None
None
None
None
IOD  K1921 (-4.4A)
0.95A 4njvC-1oxxK:
undetectable
4njvC-1oxxK:
16.34
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.
4O2B_B_LOCB503_2
(TUBULIN BETA-2B
CHAIN)
4e9o IMV MEMBRANE PROTEIN
(Vaccinia
virus)
5 / 12 LEU X  93
LEU X 159
ASN X 158
ILE X  45
ILE X 134
None
None
IOD  X 301 (-4.6A)
None
None
1.11A 4o2bB-4e9oX:
undetectable
4o2bB-4e9oX:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OBW_A_SAMA602_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)
1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.)
5 / 12 TYR A 363
ALA A 304
SER A 367
MET A 344
GLY A 264
None
None
None
None
IOD  A9050 ( 3.8A)
1.23A 4obwA-1xc6A:
undetectable
4obwA-1xc6A:
13.41
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.
4OBW_B_SAMB601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)
3s6l HEP_HAG FAMILY
(Burkholderia
pseudomallei)
5 / 12 ALA A  48
ASP A  45
ASN A  26
GLY A  50
ASN A  54
None
ZN  A 185 (-3.1A)
IOD  A 184 (-3.7A)
None
None
1.05A 4obwB-3s6lA:
undetectable
4obwB-3s6lA:
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.
4OGR_A_ADNA401_1
(CYCLIN-DEPENDENT
KINASE 9)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
6 / 8 VAL A 498
ALA A 509
ASP A 611
ASN A 654
LEU A 656
ASP A 687
5ID  A1800 ( 4.5A)
5ID  A1800 (-3.4A)
5ID  A1800 (-3.6A)
None
5ID  A1800 (-4.5A)
IOD  A1799 (-4.0A)
0.56A 4ogrA-2vuwA:
16.9
4ogrA-2vuwA:
23.40
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.
4OGR_E_ADNE401_1
(CYCLIN-DEPENDENT
KINASE 9)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
5 / 7 ALA A 509
ASP A 611
ASN A 654
LEU A 656
ASP A 687
5ID  A1800 (-3.4A)
5ID  A1800 (-3.6A)
None
5ID  A1800 (-4.5A)
IOD  A1799 (-4.0A)
0.46A 4ogrE-2vuwA:
16.5
4ogrE-2vuwA:
23.40
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.
4OGR_I_ADNI401_1
(CYCLIN-DEPENDENT
KINASE 9)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
7 / 9 ILE A 490
VAL A 498
ALA A 509
ASP A 611
ASN A 654
LEU A 656
ASP A 687
None
5ID  A1800 ( 4.5A)
5ID  A1800 (-3.4A)
5ID  A1800 (-3.6A)
None
5ID  A1800 (-4.5A)
IOD  A1799 (-4.0A)
0.71A 4ogrI-2vuwA:
12.2
4ogrI-2vuwA:
23.40
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.
4OKW_A_198A1001_1
(ANDROGEN RECEPTOR)
6ax6 PROCOLLAGEN LYSYL
HYDROXYLASE AND
GLYCOSYLTRANSFERASE

(Acanthamoeba
polyphaga
mimivirus)
5 / 12 GLY A 848
HIS A 869
THR A 867
ILE A 720
VAL A 724
None
None
IOD  A 930 ( 3.7A)
None
None
1.30A 4okwA-6ax6A:
undetectable
4okwA-6ax6A:
16.88
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.
4OKX_A_198A1002_1
(ANDROGEN RECEPTOR)
3zhn PA_0080
(Pseudomonas
aeruginosa)
5 / 12 LEU A 121
LEU A  37
VAL A 110
THR A  90
VAL A  67
None
None
IOD  A1147 ( 4.3A)
None
None
1.46A 4okxA-3zhnA:
undetectable
4okxA-3zhnA:
22.13
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.
4OLM_A_198A1001_2
(ANDROGEN RECEPTOR)
4lis UDP-GLUCOSE
4-EPIMERASE

(Aspergillus
nidulans)
4 / 6 ASN A 122
ILE A 167
ILE A 171
VAL A 170
None
None
None
IOD  A 406 ( 4.9A)
0.95A 4olmA-4lisA:
undetectable
4olmA-4lisA:
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.
4OLT_A_GCSA306_1
(CHITOSANASE)
3g7r PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor)
3 / 3 SER A 104
ASP A 100
GLN A  76
None
None
IOD  A 203 (-3.9A)
0.90A 4oltA-3g7rA:
undetectable
4oltB-3g7rA:
undetectable
4oltA-3g7rA:
24.15
4oltB-3g7rA:
24.15
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.
4OTI_A_MI1A1001_1
(SERINE/THREONINE-PRO
TEIN KINASE N1)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
7 / 12 GLY A 491
GLY A 493
GLY A 496
VAL A 498
ALA A 509
LYS A 511
LEU A 656
5ID  A1800 (-3.5A)
None
None
5ID  A1800 ( 4.5A)
5ID  A1800 (-3.4A)
IOD  A1799 (-3.2A)
5ID  A1800 (-4.5A)
0.53A 4otiA-2vuwA:
14.6
4otiA-2vuwA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PEV_A_ADNA501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)
3ru6 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Campylobacter
jejuni)
3 / 3 PRO A 178
LEU A 192
HIS A 227
IOD  A 287 ( 4.1A)
None
None
0.68A 4pevA-3ru6A:
undetectable
4pevA-3ru6A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PFJ_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)
5udy ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 7

(Homo
sapiens)
4 / 6 GLU A 352
GLN A 347
HIS A 308
ASN A 283
IOD  A 532 ( 4.8A)
None
None
None
1.33A 4pfjB-5udyA:
undetectable
4pfjB-5udyA:
22.77
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.
4PO0_A_NPSA601_1
(SERUM ALBUMIN)
4jxj RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Rickettsia
bellii)
5 / 12 VAL A 148
CYH A 152
LEU A 130
VAL A 195
LEU A 141
None
IOD  A 307 ( 4.6A)
None
None
None
1.06A 4po0A-4jxjA:
undetectable
4po0A-4jxjA:
18.88
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.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)
1mov GFP-LIKE
NON-FLUORESCENT
CHROMOPROTEIN

(Montipora
efflorescens)
3 / 3 PRO A 190
MET A 189
TYR A  82
None
IOD  A 303 ( 4.8A)
None
0.74A 4qa0B-1movA:
0.0
4qa0B-1movA:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)
1mov GFP-LIKE
NON-FLUORESCENT
CHROMOPROTEIN

(Montipora
efflorescens)
3 / 3 PRO A 190
MET A 189
TYR A  82
None
IOD  A 303 ( 4.8A)
None
0.75A 4qa0A-1movA:
undetectable
4qa0A-1movA:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_2
(HISTONE DEACETYLASE
8)
1mov GFP-LIKE
NON-FLUORESCENT
CHROMOPROTEIN

(Montipora
efflorescens)
3 / 3 PRO A 190
MET A 189
TYR A  82
None
IOD  A 303 ( 4.8A)
None
0.79A 4qa2B-1movA:
undetectable
4qa2B-1movA:
17.90
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.
4QMS_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
6 / 11 ILE A 490
ALA A 509
LYS A 511
GLU A 535
LEU A 656
ASP A 687
None
5ID  A1800 (-3.4A)
IOD  A1799 (-3.2A)
None
5ID  A1800 (-4.5A)
IOD  A1799 (-4.0A)
0.81A 4qmsA-2vuwA:
17.9
4qmsA-2vuwA:
26.30
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.
4QRC_A_0LIA802_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
4 / 8 VAL A 498
LYS A 511
ILE A 557
LEU A 656
5ID  A1800 ( 4.5A)
IOD  A1799 (-3.2A)
5ID  A1800 ( 4.5A)
5ID  A1800 (-4.5A)
0.80A 4qrcA-2vuwA:
undetectable
4qrcA-2vuwA:
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.
4QVW_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)
3s6l HEP_HAG FAMILY
(Burkholderia
pseudomallei)
5 / 11 THR A  47
ALA A  48
GLY A  30
GLY A  29
SER A  28
None
None
None
None
IOD  A 184 (-2.9A)
1.03A 4qvwK-3s6lA:
undetectable
4qvwL-3s6lA:
undetectable
4qvwK-3s6lA:
21.72
4qvwL-3s6lA:
21.76
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.
4QVW_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)
3s6l HEP_HAG FAMILY
(Burkholderia
pseudomallei)
5 / 11 THR A  47
ALA A  48
GLY A  30
GLY A  29
SER A  28
None
None
None
None
IOD  A 184 (-2.9A)
1.03A 4qvwY-3s6lA:
undetectable
4qvwZ-3s6lA:
undetectable
4qvwY-3s6lA:
21.72
4qvwZ-3s6lA:
21.76
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.
4QWP_B_GCSB304_1
(CHITOSANASE)
3g7r PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor)
3 / 3 GLN A  76
SER A 104
ASP A 100
IOD  A 203 (-3.9A)
None
None
0.81A 4qwpA-3g7rA:
undetectable
4qwpB-3g7rA:
undetectable
4qwpA-3g7rA:
24.15
4qwpB-3g7rA:
24.15
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.
4QYQ_C_3CJC607_1
(LACTOPEROXIDASE)
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei)
4 / 6 GLN A 200
HIS A 195
GLU A 231
ARG A 159
IOD  A 349 ( 4.8A)
None
None
None
1.44A 4qyqC-3menA:
undetectable
4qyqC-3menA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R21_A_STRA601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)
4jxj RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Rickettsia
bellii)
4 / 6 ILE A  84
GLY A  54
ILE A 114
VAL A  70
IOD  A 302 (-3.9A)
None
None
None
0.74A 4r21A-4jxjA:
undetectable
4r21A-4jxjA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZ7_A_1E8A901_1
(CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
5 / 10 ILE A 490
ALA A 509
LYS A 511
ILE A 557
LEU A 656
None
5ID  A1800 (-3.4A)
IOD  A1799 (-3.2A)
5ID  A1800 ( 4.5A)
5ID  A1800 (-4.5A)
0.55A 4rz7A-2vuwA:
15.3
4rz7A-2vuwA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UUU_A_SAMA1546_0
(CYSTATHIONINE
BETA-SYNTHASE)
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT

(Escherichia
coli)
5 / 11 ALA C  45
VAL C 198
THR C 205
ILE C 233
ASP C 497
IOD  C1732 ( 4.3A)
None
None
None
None
1.31A 4uuuA-5g5gC:
undetectable
4uuuB-5g5gC:
undetectable
4uuuA-5g5gC:
13.37
4uuuB-5g5gC:
13.37
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.
4V01_B_0LIB1770_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
6 / 9 VAL A 498
LYS A 511
ILE A 557
ARG A 648
LEU A 656
ILE A 685
5ID  A1800 ( 4.5A)
IOD  A1799 (-3.2A)
5ID  A1800 ( 4.5A)
None
5ID  A1800 (-4.5A)
None
0.80A 4v01B-2vuwA:
15.0
4v01B-2vuwA:
24.24
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.
4V2G_B_CTCB222_0
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)
5mbg BETA SUBUNIT OF
PHOTOACTIVATED
ADENYLYL CYCLASE

(Beggiatoa
sp.
PS)
5 / 12 SER A 249
PHE A 154
THR A 293
ILE A 216
SER A 219
None
None
IOD  A 403 ( 4.9A)
None
None
1.30A 4v2gB-5mbgA:
undetectable
4v2gB-5mbgA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V2Y_A_EF2A151_1
(CEREBLON ISOFORM 4)
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius)
4 / 7 ASN A 317
PRO A 274
PHE A 319
TYR A  49
None
IOD  A1704 ( 4.6A)
None
None
0.94A 4v2yA-4aw7A:
undetectable
4v2yA-4aw7A:
11.23
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.
4V2Y_B_EF2B151_1
(CEREBLON ISOFORM 4)
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius)
4 / 7 ASN A 317
PRO A 274
PHE A 319
TYR A  49
None
IOD  A1704 ( 4.6A)
None
None
0.95A 4v2yB-4aw7A:
undetectable
4v2yB-4aw7A:
11.23
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.
4V2Y_C_EF2C151_1
(CEREBLON ISOFORM 4)
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius)
4 / 7 ASN A 317
PRO A 274
PHE A 319
TYR A  49
None
IOD  A1704 ( 4.6A)
None
None
0.94A 4v2yC-4aw7A:
undetectable
4v2yC-4aw7A:
11.23
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.
4V2Z_A_Y70A151_1
(CEREBLON ISOFORM 4)
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius)
4 / 7 ASN A 317
PRO A 274
PHE A 319
TYR A  49
None
IOD  A1704 ( 4.6A)
None
None
0.96A 4v2zA-4aw7A:
undetectable
4v2zA-4aw7A:
11.23
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.
4V2Z_B_Y70B151_1
(CEREBLON ISOFORM 4)
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius)
4 / 8 ASN A 317
PRO A 274
PHE A 319
TYR A  49
None
IOD  A1704 ( 4.6A)
None
None
0.95A 4v2zB-4aw7A:
undetectable
4v2zB-4aw7A:
11.23
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.
4V2Z_C_Y70C151_1
(CEREBLON ISOFORM 4)
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius)
4 / 8 ASN A 317
PRO A 274
PHE A 319
TYR A  49
None
IOD  A1704 ( 4.6A)
None
None
0.93A 4v2zC-4aw7A:
undetectable
4v2zC-4aw7A:
11.23
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.
4V30_A_LVYA151_1
(CEREBLON ISOFORM 4)
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius)
4 / 7 ASN A 317
PRO A 274
PHE A 319
TYR A  49
None
IOD  A1704 ( 4.6A)
None
None
0.94A 4v30A-4aw7A:
undetectable
4v30A-4aw7A:
11.23
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.
4V30_B_LVYB151_1
(CEREBLON ISOFORM 4)
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius)
4 / 8 ASN A 317
PRO A 274
PHE A 319
TYR A  49
None
IOD  A1704 ( 4.6A)
None
None
0.93A 4v30B-4aw7A:
undetectable
4v30B-4aw7A:
11.23
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.
4WQ5_B_ACTB404_0
(TRNA N6-ADENOSINE
THREONYLCARBAMOYLTRA
NSFERASE)
4j8f HEAT SHOCK 70 KDA
PROTEIN 1A/1B,
HSC70-INTERACTING
PROTEIN

(Homo
sapiens;
Rattus
norvegicus)
3 / 3 TYR A  41
ARG A 261
LYS A  56
None
IOD  A 617 (-3.5A)
IOD  A 617 (-3.5A)
1.18A 4wq5B-4j8fA:
10.7
4wq5B-4j8fA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X1K_D_LOCD502_2
(TUBULIN BETA CHAIN)
3da8 PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN

(Mycobacterium
tuberculosis)
5 / 12 LEU A  26
THR A  85
ALA A  43
VAL A  61
ALA A  56
IOD  A 603 (-4.8A)
None
None
None
None
1.17A 4x1kD-3da8A:
undetectable
4x1kD-3da8A:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X3M_B_ADNB301_1
(RNA 2'-O RIBOSE
METHYLTRANSFERASE)
5u84 ACID CERAMIDASE
(Balaenoptera
acutorostrata)
5 / 9 LEU A 307
GLY A 291
ILE A 349
MET A 354
VAL A 316
None
None
None
None
IOD  A 417 ( 4.2A)
1.17A 4x3mB-5u84A:
undetectable
4x3mB-5u84A:
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.
4X5I_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)
3vay HAD-SUPERFAMILY
HYDROLASE

(Pseudomonas
syringae
group
genomosp.
3)
3 / 3 ASP A  10
ARG A  50
ARG A  68
None
IOD  A 305 (-3.4A)
IOD  A 305 ( 4.1A)
0.98A 4x5iA-3vayA:
undetectable
4x5iA-3vayA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XP1_A_LDPA708_1
(DOPAMINE
TRANSPORTER, ISOFORM
B)
1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.)
5 / 10 ALA A 483
VAL A 482
ASP A 481
TYR A 480
SER A 393
IOD  A9036 ( 4.3A)
None
None
EDO  A9080 (-3.7A)
EDO  A9080 (-4.4A)
1.40A 4xp1A-1xc6A:
undetectable
4xp1A-1xc6A:
21.52
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.
4XQG_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)
5wlh LBACAS13A H328A
(C2C2)

(Lachnospiraceae
bacterium
NK4A179)
4 / 8 ARG A 298
ASP A 393
PHE A 392
VAL A 383
IOD  A1512 ( 4.5A)
IOD  A1512 (-3.6A)
None
None
1.13A 4xqgB-5wlhA:
undetectable
4xqgB-5wlhA:
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.
4XR4_B_AG2B511_1
(HOMOSPERMIDINE
SYNTHASE)
4z48 UNCHARACTERIZED
PROTEIN

(Desulfovibrio
piger)
3 / 3 VAL A 117
PHE A  90
ARG A  68
None
None
IOD  A 301 (-4.5A)
0.98A 4xr4B-4z48A:
undetectable
4xr4B-4z48A:
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.
4XUE_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)
5udy ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 7

(Homo
sapiens)
4 / 5 GLY A 281
TYR A 333
SER A 334
GLU A 352
None
None
None
IOD  A 532 ( 4.8A)
1.16A 4xueA-5udyA:
undetectable
4xueA-5udyA:
21.50
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.
4YJI_A_TYLA502_1
(ARYL ACYLAMIDASE)
5jvf SITE-DETERMINING
PROTEIN

(Pseudomonas
aeruginosa)
4 / 7 SER A  28
THR A 128
GLY A  17
GLY A  18
None
None
None
IOD  A 311 (-3.5A)
0.72A 4yjiA-5jvfA:
undetectable
4yjiA-5jvfA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YMG_B_SAMB1001_1
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)
4hjh PHOSPHOMANNOMUTASE
(Brucella
melitensis)
3 / 3 SER A 306
GLU A 287
GLU A 449
IOD  A 505 ( 4.8A)
None
EDO  A 548 ( 4.9A)
0.67A 4ymgB-4hjhA:
undetectable
4ymgB-4hjhA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YV5_A_SVRA205_2
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)
5suo EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Streptococcus
pneumoniae)
4 / 6 LYS A 409
LEU A 412
ASN A 155
PRO A 287
None
None
None
IOD  A 501 ( 4.3A)
1.39A 4yv5B-5suoA:
undetectable
4yv5B-5suoA:
15.40
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.
4YV5_B_SVRB207_1
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)
5suo EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Streptococcus
pneumoniae)
4 / 6 LYS A 409
LEU A 412
ASN A 155
PRO A 287
None
None
None
IOD  A 501 ( 4.3A)
1.38A 4yv5A-5suoA:
undetectable
4yv5A-5suoA:
15.40
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.
4Z53_F_TR6F101_1
(DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A
E-SITE DNA)
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei)
4 / 6 GLY A 216
ASP A 217
GLY A 227
ARG A 258
None
IOD  A 342 ( 4.5A)
None
None
1.01A 4z53A-3menA:
1.7
4z53B-3menA:
1.4
4z53A-3menA:
18.69
4z53B-3menA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZDY_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
1oxx ABC TRANSPORTER, ATP
BINDING PROTEIN

(Sulfolobus
solfataricus)
5 / 12 GLY K  60
ILE K 204
PHE K  34
GLY K 223
LEU K 219
None
None
None
None
IOD  K1920 ( 4.1A)
1.20A 4zdyA-1oxxK:
undetectable
4zdyA-1oxxK:
24.73
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.
4ZZB_C_ACTC401_0
(PROTON-GATED ION
CHANNEL)
4q2m MAJOR FACILITATOR
SUPERFAMILY MFS_1

(Escherichia
coli)
4 / 7 ILE A  50
ARG A  57
VAL A  60
ILE A  12
None
IOD  A3013 (-4.4A)
None
None
0.97A 4zzbC-4q2mA:
undetectable
4zzbD-4q2mA:
undetectable
4zzbC-4q2mA:
13.09
4zzbD-4q2mA:
13.09
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.
4ZZB_E_ACTE403_0
(PROTON-GATED ION
CHANNEL)
4bh5 MUREIN HYDROLASE
ACTIVATOR ENVC

(Escherichia
coli)
3 / 3 ARG A 405
TYR A 401
GLU A 403
IOD  A1420 ( 4.6A)
None
None
0.70A 4zzbE-4bh5A:
undetectable
4zzbE-4bh5A:
16.51
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.
4ZZC_E_ACTE406_0
(PROTON-GATED ION
CHANNEL)
1oxx ABC TRANSPORTER, ATP
BINDING PROTEIN

(Sulfolobus
solfataricus)
4 / 5 ILE K   4
ILE K  26
ARG K 210
GLU K  32
None
None
IOD  K1917 (-4.5A)
None
1.23A 4zzcE-1oxxK:
undetectable
4zzcE-1oxxK:
21.97
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.
5A1R_A_STRA600_1
(CYTOCHROME P450 3A4)
5a11 THIOCYANATE FORMING
PROTEIN

(Thlaspi
arvense)
4 / 5 ASP A  56
PHE A  57
PHE A  55
VAL A  12
None
None
None
IOD  A1351 ( 4.0A)
1.16A 5a1rA-5a11A:
undetectable
5a1rA-5a11A:
21.92
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.
5A6I_A_TCWA1124_1
(TRANSTHYRETIN)
3fgw PUTATIVE
PHOSPHOLIPASE B-LIKE
2

(Mus
musculus)
4 / 6 LEU A  78
ALA A 122
LEU A 205
SER A 200
IOD  A 609 (-4.1A)
None
None
None
1.25A 5a6iA-3fgwA:
undetectable
5a6iA-3fgwA:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AMH_A_EF2A151_1
(CEREBLON ISOFORM 4)
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius)
4 / 7 ASN A 317
PRO A 274
PHE A 319
TYR A  49
None
IOD  A1704 ( 4.6A)
None
None
0.94A 5amhA-4aw7A:
undetectable
5amhA-4aw7A:
11.23
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.
5AMI_A_EF2A151_1
(CEREBLON ISOFORM 4)
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius)
4 / 7 ASN A 317
PRO A 274
PHE A 319
TYR A  49
None
IOD  A1704 ( 4.6A)
None
None
0.98A 5amiA-4aw7A:
undetectable
5amiA-4aw7A:
11.23
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.
5AMI_B_EF2B151_1
(CEREBLON ISOFORM 4)
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius)
4 / 8 ASN A 317
PRO A 274
PHE A 319
TYR A  49
None
IOD  A1704 ( 4.6A)
None
None
0.97A 5amiB-4aw7A:
undetectable
5amiB-4aw7A:
11.23
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.
5AMJ_A_EF2A151_1
(CEREBLON ISOFORM 4)
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius)
4 / 7 ASN A 317
PRO A 274
PHE A 319
TYR A  49
None
IOD  A1704 ( 4.6A)
None
None
0.93A 5amjA-4aw7A:
undetectable
5amjA-4aw7A:
11.23
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.
5AMJ_B_EF2B151_1
(CEREBLON ISOFORM 4)
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius)
4 / 7 ASN A 317
PRO A 274
PHE A 319
TYR A  49
None
IOD  A1704 ( 4.6A)
None
None
0.92A 5amjB-4aw7A:
undetectable
5amjB-4aw7A:
11.23
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.
5AMK_A_EF2A151_1
(CEREBLON ISOFORM 4)
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius)
4 / 8 ASN A 317
PRO A 274
PHE A 319
TYR A  49
None
IOD  A1704 ( 4.6A)
None
None
1.12A 5amkA-4aw7A:
undetectable
5amkA-4aw7A:
11.23
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.
5AMK_B_EF2B151_1
(CEREBLON ISOFORM 4)
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius)
4 / 7 ASN A 317
PRO A 274
PHE A 319
TYR A  49
None
IOD  A1704 ( 4.6A)
None
None
0.98A 5amkB-4aw7A:
undetectable
5amkB-4aw7A:
11.23
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.
5AOX_C_ACTC1001_0
(ALU JO CONSENSUS RNA
SIGNAL RECOGNITION
PARTICLE 14 KDA
PROTEIN)
1rtk COMPLEMENT FACTOR B
(Homo
sapiens)
3 / 3 TYR A 465
THR A 566
THR A 463
None
IOD  A 741 ( 4.5A)
None
0.79A 5aoxB-1rtkA:
0.0
5aoxB-1rtkA:
10.35
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.
5AOX_F_ACTF1001_0
(ALU JO CONSENSUS RNA
SIGNAL RECOGNITION
PARTICLE 14 KDA
PROTEIN)
1rtk COMPLEMENT FACTOR B
(Homo
sapiens)
3 / 3 TYR A 465
THR A 566
THR A 463
None
IOD  A 741 ( 4.5A)
None
0.76A 5aoxE-1rtkA:
0.0
5aoxE-1rtkA:
10.35
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.
5B1A_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3hr6 PUTATIVE
SURFACE-ANCHORED
FIMBRIAL SUBUNIT

(Corynebacterium
diphtheriae)
4 / 6 ILE A 417
LEU A 464
PHE A 442
THR A 421
None
None
None
IOD  A 487 (-3.9A)
1.01A 5b1aN-3hr6A:
undetectable
5b1aW-3hr6A:
undetectable
5b1aN-3hr6A:
21.15
5b1aW-3hr6A:
9.22
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.
5D0Y_A_FOLA201_0
(CONSERVED
HYPOTHETICAL
MEMBRANE PROTEIN)
2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum)
5 / 12 LEU A  91
GLY A 106
SER A 111
PHE A  38
VAL A  59
None
IOD  A1347 ( 4.1A)
None
None
None
1.34A 5d0yA-2wabA:
undetectable
5d0yA-2wabA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_R_BEZR801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)
3ru6 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Campylobacter
jejuni)
4 / 8 SER A  88
ALA A  87
HIS A  62
LEU A 116
None
None
None
IOD  A 285 ( 4.8A)
1.09A 5dzkd-3ru6A:
3.0
5dzkr-3ru6A:
undetectable
5dzkd-3ru6A:
20.75
5dzkr-3ru6A:
11.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei)
5 / 12 SER A  19
HIS A 157
HIS A 194
ASP A 281
TYR A 320
IOD  A 345 ( 3.4A)
SO4  A 401 (-3.4A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 (-4.5A)
1.12A 5eeiA-3menA:
40.4
5eeiA-3menA:
31.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei)
9 / 12 SER A 115
HIS A 156
HIS A 157
GLY A 165
PHE A 166
ASP A 192
HIS A 194
ASP A 281
TYR A 320
IOD  A 347 (-3.3A)
SO4  A 401 (-3.6A)
SO4  A 401 (-3.4A)
SO4  A 401 (-4.9A)
None
ZN  A 400 (-2.3A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 (-4.5A)
0.42A 5eeiA-3menA:
40.4
5eeiA-3menA:
31.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei)
5 / 12 SER A  19
HIS A 157
HIS A 194
ASP A 281
TYR A 320
IOD  A 345 ( 3.4A)
SO4  A 401 (-3.4A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 (-4.5A)
1.13A 5eeiB-3menA:
40.3
5eeiB-3menA:
31.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei)
9 / 12 SER A 115
HIS A 156
HIS A 157
GLY A 165
PHE A 166
ASP A 192
HIS A 194
ASP A 281
TYR A 320
IOD  A 347 (-3.3A)
SO4  A 401 (-3.6A)
SO4  A 401 (-3.4A)
SO4  A 401 (-4.9A)
None
ZN  A 400 (-2.3A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 (-4.5A)
0.43A 5eeiB-3menA:
40.3
5eeiB-3menA:
31.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei)
5 / 12 SER A  19
HIS A 157
HIS A 194
ASP A 281
TYR A 320
IOD  A 345 ( 3.4A)
SO4  A 401 (-3.4A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 (-4.5A)
1.10A 5eenA-3menA:
40.2
5eenA-3menA:
31.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei)
9 / 12 SER A 115
HIS A 156
HIS A 157
PHE A 166
ASP A 192
HIS A 194
ASP A 281
GLY A 318
TYR A 320
IOD  A 347 (-3.3A)
SO4  A 401 (-3.6A)
SO4  A 401 (-3.4A)
None
ZN  A 400 (-2.3A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 ( 3.7A)
SO4  A 401 (-4.5A)
0.38A 5eenA-3menA:
40.2
5eenA-3menA:
31.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei)
5 / 12 SER A  19
HIS A 157
HIS A 194
ASP A 281
TYR A 320
IOD  A 345 ( 3.4A)
SO4  A 401 (-3.4A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 (-4.5A)
1.11A 5eenB-3menA:
40.4
5eenB-3menA:
31.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei)
8 / 12 SER A 115
HIS A 156
HIS A 157
PHE A 166
ASP A 192
HIS A 194
ASP A 281
TYR A 320
IOD  A 347 (-3.3A)
SO4  A 401 (-3.6A)
SO4  A 401 (-3.4A)
None
ZN  A 400 (-2.3A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 (-4.5A)
0.40A 5eenB-3menA:
40.4
5eenB-3menA:
31.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EF8_A_LBHA2004_1
(HDAC6 PROTEIN)
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei)
5 / 12 SER A  19
HIS A 157
HIS A 194
ASP A 281
TYR A 320
IOD  A 345 ( 3.4A)
SO4  A 401 (-3.4A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 (-4.5A)
1.13A 5ef8A-3menA:
40.3
5ef8A-3menA:
31.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EF8_A_LBHA2004_1
(HDAC6 PROTEIN)
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei)
8 / 12 SER A 115
HIS A 156
HIS A 157
PHE A 166
ASP A 192
HIS A 194
ASP A 281
TYR A 320
IOD  A 347 (-3.3A)
SO4  A 401 (-3.6A)
SO4  A 401 (-3.4A)
None
ZN  A 400 (-2.3A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 (-4.5A)
0.41A 5ef8A-3menA:
40.3
5ef8A-3menA:
31.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EF8_B_LBHB2004_1
(HDAC6 PROTEIN)
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei)
5 / 12 SER A  19
HIS A 157
HIS A 194
ASP A 281
TYR A 320
IOD  A 345 ( 3.4A)
SO4  A 401 (-3.4A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 (-4.5A)
1.15A 5ef8B-3menA:
40.2
5ef8B-3menA:
31.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EF8_B_LBHB2004_1
(HDAC6 PROTEIN)
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei)
8 / 12 SER A 115
HIS A 156
HIS A 157
PHE A 166
ASP A 192
HIS A 194
ASP A 281
TYR A 320
IOD  A 347 (-3.3A)
SO4  A 401 (-3.6A)
SO4  A 401 (-3.4A)
None
ZN  A 400 (-2.3A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 (-4.5A)
0.39A 5ef8B-3menA:
40.2
5ef8B-3menA:
31.35
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.
5FA8_A_SAMA301_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)
4gs5 ACYL-COA SYNTHETASE
(AMP-FORMING)/AMP-AC
ID LIGASE II-LIKE
PROTEIN

(Dyadobacter
fermentans)
3 / 3 THR A   8
ASP A 100
GLU A  98
IOD  A 412 ( 4.6A)
None
None
0.82A 5fa8A-4gs5A:
undetectable
5fa8A-4gs5A:
17.18
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.
5FUK_A_SNPA1236_1
(MROUPO)
1q8c HYPOTHETICAL PROTEIN
MG027

(Mycoplasma
genitalium)
4 / 7 ILE A  75
ILE A  68
ILE A  25
LEU A  32
None
IOD  A 154 ( 4.5A)
None
IOD  A 154 ( 4.9A)
0.67A 5fukA-1q8cA:
undetectable
5fukB-1q8cA:
undetectable
5fukA-1q8cA:
21.52
5fukB-1q8cA:
21.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5G5H_C_ACTC1743_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SUBUNIT
PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT)
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT

(Escherichia
coli;
Escherichia
coli)
5 / 5 LYS A  97
ASP A 100
PHE C 120
MET C 269
PRO C 271
None
None
None
IOD  A1227 ( 4.1A)
None
0.14A 5g5hA-5g5gA:
31.9
5g5hC-5g5gA:
0.0
5g5hA-5g5gA:
100.00
5g5hC-5g5gA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GWZ_D_010D6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
PEDV MAIN PROTEASE)
5udy ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 7

(Homo
sapiens)
3 / 3 MET A  74
HIS A  95
GLY A 281
IOD  A 532 ( 4.6A)
None
None
0.63A 5gwzB-5udyA:
undetectable
5gwzB-5udyA:
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.
5HM8_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)
4iqz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Escherichia
coli)
4 / 5 GLU A  82
GLU A  70
THR A  69
LEU A  92
None
IOD  A 309 (-3.7A)
None
None
1.00A 5hm8A-4iqzA:
undetectable
5hm8A-4iqzA:
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.
5HM8_B_ADNB501_2
(ADENOSYLHOMOCYSTEINA
SE)
4iqz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Escherichia
coli)
4 / 5 GLU A  82
GLU A  70
THR A  69
LEU A  92
None
IOD  A 309 (-3.7A)
None
None
1.00A 5hm8B-4iqzA:
undetectable
5hm8B-4iqzA:
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.
5HM8_C_ADNC501_2
(ADENOSYLHOMOCYSTEINA
SE)
4iqz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Escherichia
coli)
4 / 5 GLU A  82
GLU A  70
THR A  69
LEU A  92
None
IOD  A 309 (-3.7A)
None
None
1.00A 5hm8C-4iqzA:
undetectable
5hm8C-4iqzA:
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.
5HM8_D_ADND501_2
(ADENOSYLHOMOCYSTEINA
SE)
4iqz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Escherichia
coli)
4 / 5 GLU A  82
GLU A  70
THR A  69
LEU A  92
None
IOD  A 309 (-3.7A)
None
None
0.99A 5hm8D-4iqzA:
undetectable
5hm8D-4iqzA:
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.
5HM8_E_ADNE501_2
(ADENOSYLHOMOCYSTEINA
SE)
4iqz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Escherichia
coli)
4 / 5 GLU A  82
GLU A  70
THR A  69
LEU A  92
None
IOD  A 309 (-3.7A)
None
None
1.00A 5hm8E-4iqzA:
undetectable
5hm8E-4iqzA:
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.
5HM8_F_ADNF501_2
(ADENOSYLHOMOCYSTEINA
SE)
4iqz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Escherichia
coli)
4 / 5 GLU A  82
GLU A  70
THR A  69
LEU A  92
None
IOD  A 309 (-3.7A)
None
None
0.99A 5hm8F-4iqzA:
undetectable
5hm8F-4iqzA:
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.
5HM8_G_ADNG501_2
(ADENOSYLHOMOCYSTEINA
SE)
4iqz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Escherichia
coli)
4 / 5 GLU A  82
GLU A  70
THR A  69
LEU A  92
None
IOD  A 309 (-3.7A)
None
None
1.00A 5hm8G-4iqzA:
undetectable
5hm8G-4iqzA:
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.
5HM8_H_ADNH501_2
(ADENOSYLHOMOCYSTEINA
SE)
4iqz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Escherichia
coli)
4 / 5 GLU A  82
GLU A  70
THR A  69
LEU A  92
None
IOD  A 309 (-3.7A)
None
None
1.00A 5hm8H-4iqzA:
undetectable
5hm8H-4iqzA:
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.
5HPW_A_3CJA609_1
(LACTOPEROXIDASE)
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei)
4 / 5 GLN A 200
HIS A 195
GLU A 231
ARG A 159
IOD  A 349 ( 4.8A)
None
None
None
1.37A 5hpwA-3menA:
0.0
5hpwA-3menA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HPW_C_3CJC609_1
(LACTOPEROXIDASE)
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei)
4 / 6 GLN A 200
HIS A 195
GLU A 231
ARG A 159
IOD  A 349 ( 4.8A)
None
None
None
1.44A 5hpwC-3menA:
undetectable
5hpwC-3menA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HW8_A_FK5A201_1
(FK506-BINDING
PROTEIN 1)
5suo EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Streptococcus
pneumoniae)
5 / 11 TYR A 216
PHE A 214
VAL A 241
ILE A 448
ILE A 308
IOD  A 516 (-4.9A)
None
None
None
None
1.12A 5hw8A-5suoA:
undetectable
5hw8D-5suoA:
undetectable
5hw8A-5suoA:
14.82
5hw8D-5suoA:
14.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I8F_A_ML1A211_1
(PHENOLIC OXIDATIVE
COUPLING PROTEIN)
6de8 BIFUNCTIONAL PROTEIN
FOLD

(Campylobacter
jejuni)
4 / 6 VAL A  48
LYS A  51
ALA A  52
VAL A  64
None
None
IOD  A 309 ( 4.7A)
IOD  A 309 ( 4.9A)
0.56A 5i8fA-6de8A:
undetectable
5i8fA-6de8A:
17.20
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)
4j8f HEAT SHOCK 70 KDA
PROTEIN 1A/1B,
HSC70-INTERACTING
PROTEIN

(Homo
sapiens;
Rattus
norvegicus)
5 / 12 ILE A 297
ASP A 234
GLU A 268
SER A 340
ILE A 343
IOD  A 615 (-4.7A)
ADP  A 601 ( 4.9A)
ADP  A 601 ( 3.0A)
ADP  A 601 (-3.4A)
None
1.38A 5igwA-4j8fA:
undetectable
5igwA-4j8fA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IZJ_F_AZ1F2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAR-DAR-DAR)
4p1e TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Escherichia
fergusonii)
5 / 7 GLY A 139
SER A 138
PHE A  99
VAL A 243
LEU A  78
IOD  A 404 ( 4.1A)
IOD  A 411 ( 3.1A)
None
None
None
1.41A 5izjB-4p1eA:
undetectable
5izjB-4p1eA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IZJ_G_AZ1G2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAR-DAR)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
4 / 7 GLY A 491
GLY A 493
VAL A 498
LYS A 511
5ID  A1800 (-3.5A)
None
5ID  A1800 ( 4.5A)
IOD  A1799 (-3.2A)
0.45A 5izjA-2vuwA:
15.7
5izjA-2vuwA:
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.
5IZJ_G_AZ1G2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAR-DAR)
4p1e TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Escherichia
fergusonii)
5 / 7 GLY A 139
SER A 138
PHE A  99
VAL A 243
LEU A  78
IOD  A 404 ( 4.1A)
IOD  A 411 ( 3.1A)
None
None
None
1.42A 5izjA-4p1eA:
undetectable
5izjA-4p1eA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JM4_A_BEZA301_0
(14-3-3 PROTEIN
ZETA/DELTA)
4lu4 PUTATIVE CELL
FILAMENTATION
PROTEIN

(Bartonella
quintana)
4 / 5 PHE A 173
ILE A 204
GLN A 156
ARG A 157
None
None
None
IOD  A 307 ( 4.9A)
1.39A 5jm4A-4lu4A:
undetectable
5jm4A-4lu4A:
20.24
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.
5JM4_B_BEZB301_0
(14-3-3 PROTEIN
ZETA/DELTA)
4lu4 PUTATIVE CELL
FILAMENTATION
PROTEIN

(Bartonella
quintana)
4 / 4 PHE A 173
ILE A 204
GLN A 156
ARG A 157
None
None
None
IOD  A 307 ( 4.9A)
1.37A 5jm4B-4lu4A:
1.2
5jm4B-4lu4A:
20.24
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.
5JSD_A_1GNA615_1
(PHIAB6 TAILSPIKE)
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus)
3 / 3 TYR A 109
TYR A 173
GLN A 132
None
IOD  A 941 (-4.9A)
None
1.09A 5jsdA-3s1sA:
undetectable
5jsdB-3s1sA:
undetectable
5jsdA-3s1sA:
20.95
5jsdB-3s1sA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JSD_B_1GNB606_1
(PHIAB6 TAILSPIKE)
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus)
3 / 3 TYR A 109
TYR A 173
GLN A 132
None
IOD  A 941 (-4.9A)
None
1.08A 5jsdB-3s1sA:
undetectable
5jsdC-3s1sA:
undetectable
5jsdB-3s1sA:
20.95
5jsdC-3s1sA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)
5oex -
(-)
5 / 12 ASP A 220
LEU A 331
ALA A 312
LEU A 289
GLY A 282
None
None
None
IOD  A 607 ( 4.9A)
None
1.03A 5kb5A-5oexA:
undetectable
5kb5A-5oexA:
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.
5KKZ_A_ASCA1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)
3a0h PHOTOSYSTEM II D2
PROTEIN

(Thermosynechococ
cus
vulcanus)
4 / 6 HIS D 197
VAL D 286
TYR D 160
HIS D 189
CLA  D1004 ( 4.3A)
CLA  D1004 (-4.1A)
IOD  D1068 (-3.7A)
None
1.35A 5kkzA-3a0hD:
undetectable
5kkzG-3a0hD:
undetectable
5kkzA-3a0hD:
23.06
5kkzG-3a0hD:
19.76
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.
5KKZ_O_ASCO1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)
3a0h PHOTOSYSTEM II D2
PROTEIN

(Thermosynechococ
cus
vulcanus)
4 / 7 HIS D 189
HIS D 197
VAL D 286
TYR D 160
None
CLA  D1004 ( 4.3A)
CLA  D1004 (-4.1A)
IOD  D1068 (-3.7A)
1.32A 5kkzM-3a0hD:
undetectable
5kkzO-3a0hD:
undetectable
5kkzM-3a0hD:
19.76
5kkzO-3a0hD:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LAK_I_BEZI1_0
(3CL PROTEASE
BEZ-TYR-TYR-ASN-ECC
PEPTIDE INHIBITOR)
4kca ENDO-1,5-ALPHA-L-ARA
BINANASE

(Bos
taurus)
3 / 3 SER A 436
TYR A 437
TYR A 371
IOD  A 723 ( 4.2A)
None
None
0.54A 5lakA-4kcaA:
0.7
5lakI-4kcaA:
undetectable
5lakA-4kcaA:
18.94
5lakI-4kcaA:
0.86
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.
5LAK_I_BEZI1_0
(3CL PROTEASE
BEZ-TYR-TYR-ASN-ECC
PEPTIDE INHIBITOR)
5dn5 PEPTIDOGLYCAN
HYDROLASE FLGJ

(Salmonella
enterica)
3 / 3 SER A 241
TYR A 239
TYR A 201
IOD  A 401 ( 4.9A)
None
None
0.76A 5lakA-5dn5A:
undetectable
5lakI-5dn5A:
undetectable
5lakA-5dn5A:
18.15
5lakI-5dn5A:
2.48
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.
5LAK_J_BEZJ1_0
(3CL PROTEASE
BEZ-TYR-TYR-ASN-ECC
PEPTIDE INHIBITOR)
4kca ENDO-1,5-ALPHA-L-ARA
BINANASE

(Bos
taurus)
3 / 3 SER A 436
TYR A 437
TYR A 371
IOD  A 723 ( 4.2A)
None
None
0.62A 5lakC-4kcaA:
undetectable
5lakJ-4kcaA:
undetectable
5lakC-4kcaA:
18.94
5lakJ-4kcaA:
0.86
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.
5LAK_J_BEZJ1_0
(3CL PROTEASE
BEZ-TYR-TYR-ASN-ECC
PEPTIDE INHIBITOR)
5dn5 PEPTIDOGLYCAN
HYDROLASE FLGJ

(Salmonella
enterica)
3 / 3 SER A 241
TYR A 239
TYR A 201
IOD  A 401 ( 4.9A)
None
None
0.80A 5lakC-5dn5A:
undetectable
5lakJ-5dn5A:
undetectable
5lakC-5dn5A:
18.15
5lakJ-5dn5A:
2.48
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.
5LJE_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)
4p1e TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Escherichia
fergusonii)
5 / 12 LEU A 154
PRO A 109
LEU A 311
PHE A 300
ILE A 183
None
None
IOD  A 436 ( 4.4A)
None
None
1.09A 5ljeA-4p1eA:
undetectable
5ljeA-4p1eA:
16.91
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.
5M54_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)
5cqf L-LYSINE
6-MONOOXYGENASE

(Pseudomonas
syringae
group
genomosp.
3)
5 / 12 VAL A 344
ALA A 213
SER A 216
PHE A 238
LEU A 305
None
IOD  A 507 (-3.6A)
None
None
None
1.45A 5m54B-5cqfA:
2.3
5m54B-5cqfA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
7 / 12 ILE A 490
GLY A 491
VAL A 498
ALA A 509
LYS A 511
GLU A 535
ILE A 686
None
5ID  A1800 (-3.5A)
5ID  A1800 ( 4.5A)
5ID  A1800 (-3.4A)
IOD  A1799 (-3.2A)
None
IOD  A1799 (-4.2A)
0.67A 5mafA-2vuwA:
17.8
5mafA-2vuwA:
12.85
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.
5N0O_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)
4izg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Paracoccus
denitrificans)
3 / 3 ALA A  64
GLN A  31
THR A  33
None
IOD  A 404 ( 4.4A)
None
0.70A 5n0oA-4izgA:
undetectable
5n0oA-4izgA:
23.36
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.
5N3H_A_NCAA401_0
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA)
4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo
sapiens)
6 / 10 LEU A  15
VAL A  23
ALA A  36
VAL A  68
MET A  86
THR A 156
BX7  A 401 (-3.7A)
BX7  A 401 (-4.4A)
BX7  A 401 (-3.4A)
None
BX7  A 401 (-4.5A)
IOD  A 402 ( 3.4A)
0.73A 5n3hA-4eutA:
14.2
5n3hA-4eutA:
26.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N3H_A_NCAA401_0
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA)
4euu SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo
sapiens)
6 / 10 LEU A  15
VAL A  23
ALA A  36
VAL A  68
MET A  86
THR A 156
BX7  A 401 (-3.9A)
BX7  A 401 ( 4.6A)
BX7  A 401 (-3.4A)
None
BX7  A 401 (-3.7A)
IOD  A 402 ( 3.5A)
0.70A 5n3hA-4euuA:
26.1
5n3hA-4euuA:
26.74
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.
5N8J_E_DVAE7_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)
4izg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Paracoccus
denitrificans)
3 / 3 TYR A   9
SER A 359
TRP A  46
None
None
IOD  A 401 (-4.8A)
0.88A 5n8jB-4izgA:
undetectable
5n8jB-4izgA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N8J_E_DVAE7_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)
5gzh ENDO-BETA-1,2-GLUCAN
ASE

(Chitinophaga
pinensis)
3 / 3 TYR A 183
SER A 181
TRP A 200
None
None
IOD  A 509 ( 4.9A)
1.03A 5n8jB-5gzhA:
undetectable
5n8jB-5gzhA:
17.85
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.
5N8J_O_DVAO7_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)
4izg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Paracoccus
denitrificans)
3 / 3 TYR A   9
SER A 359
TRP A  46
None
None
IOD  A 401 (-4.8A)
0.84A 5n8jA-4izgA:
undetectable
5n8jA-4izgA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N8J_O_DVAO7_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)
5gzh ENDO-BETA-1,2-GLUCAN
ASE

(Chitinophaga
pinensis)
3 / 3 TYR A 183
SER A 181
TRP A 200
None
None
IOD  A 509 ( 4.9A)
1.03A 5n8jA-5gzhA:
undetectable
5n8jA-5gzhA:
17.85
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.
5N8J_P_DVAP5_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)
4izg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Paracoccus
denitrificans)
3 / 3 TYR A   9
SER A 359
TRP A  46
None
None
IOD  A 401 (-4.8A)
0.83A 5n8jD-4izgA:
undetectable
5n8jD-4izgA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N8J_P_DVAP5_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)
5gzh ENDO-BETA-1,2-GLUCAN
ASE

(Chitinophaga
pinensis)
3 / 3 TYR A 183
SER A 181
TRP A 200
None
None
IOD  A 509 ( 4.9A)
1.05A 5n8jD-5gzhA:
undetectable
5n8jD-5gzhA:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NU7_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 4)
4e1l ACETOACETYL-COA
THIOLASE 2

(Clostridioides
difficile)
4 / 8 LEU A 259
ALA A 376
VAL A 110
TYR A 279
None
None
None
IOD  A 413 ( 4.1A)
0.91A 5nu7A-4e1lA:
undetectable
5nu7A-4e1lA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NUJ_A_Z80A201_1
(BETA-LACTOGLOBULIN)
2yn3 PUTATIVE INNER
MEMBRANE PROTEIN

(Salmonella
enterica)
4 / 8 ALA A5103
VAL A5121
LEU A5107
ASN A5081
None
None
None
IOD  A6361 ( 4.9A)
0.82A 5nujA-2yn3A:
undetectable
5nujA-2yn3A:
17.00
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.
5NWV_A_ACAA18_2
(SCRFP-TAG,GP41)
5zbb -
(-)
4 / 7 GLN A 307
ALA A 139
LEU A 164
TRP A 168
None
None
None
IOD  A 601 (-4.6A)
1.08A 5nwvA-5zbbA:
undetectable
5nwvA-5zbbA:
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.
5OH1_A_EF2A202_0
(CEREBLON ISOFORM 4)
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius)
4 / 7 ASN A 317
PRO A 274
PHE A 319
TYR A  49
None
IOD  A1704 ( 4.6A)
None
None
0.95A 5oh1A-4aw7A:
undetectable
5oh1A-4aw7A:
9.24
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.
5OH1_B_EF2B202_0
(CEREBLON ISOFORM 4)
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius)
4 / 7 ASN A 317
PRO A 274
PHE A 319
TYR A  49
None
IOD  A1704 ( 4.6A)
None
None
0.98A 5oh1B-4aw7A:
undetectable
5oh1B-4aw7A:
9.24
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.
5OH1_C_9UQC202_0
(CEREBLON ISOFORM 4)
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius)
4 / 8 ASN A 317
PRO A 274
PHE A 319
TYR A  49
None
IOD  A1704 ( 4.6A)
None
None
1.08A 5oh1C-4aw7A:
undetectable
5oh1C-4aw7A:
11.23
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.
5OH3_A_9V2A202_0
(CEREBLON ISOFORM 4)
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius)
4 / 7 ASN A 317
PRO A 274
PHE A 319
TYR A  49
None
IOD  A1704 ( 4.6A)
None
None
0.93A 5oh3A-4aw7A:
undetectable
5oh3A-4aw7A:
11.23
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.
5OH3_B_9V2B202_0
(CEREBLON ISOFORM 4)
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius)
4 / 7 ASN A 317
PRO A 274
PHE A 319
TYR A  49
None
IOD  A1704 ( 4.6A)
None
None
0.97A 5oh3B-4aw7A:
undetectable
5oh3B-4aw7A:
11.23
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.
5OS7_A_ACTA402_0
(CASEIN KINASE II
SUBUNIT ALPHA)
3pmc UNCHARACTERIZED
PROTEIN
PXO2-61/BXB0075/GBAA
_PXO2_0075

(Bacillus
anthracis)
3 / 3 HIS A 129
SER A 130
LYS A  68
None
IOD  A 413 (-3.2A)
IOD  A 413 (-2.6A)
1.44A 5os7A-3pmcA:
undetectable
5os7A-3pmcA:
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.
5OWR_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
4 / 8 ALA A 509
GLU A 535
LEU A 656
ASP A 687
5ID  A1800 (-3.4A)
None
5ID  A1800 (-4.5A)
IOD  A1799 (-4.0A)
0.55A 5owrA-2vuwA:
15.8
5owrA-2vuwA:
24.73
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.
5OY0_2_PQN2843_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)
3mgl SULFATE PERMEASE
FAMILY PROTEIN

(Vibrio
cholerae)
5 / 12 PHE A 536
SER A 508
ILE A 472
ALA A 543
LEU A 540
None
IOD  A 602 (-3.4A)
None
None
None
1.22A 5oy02-3mglA:
undetectable
5oy02-3mglA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5PBE_A_TYLA2001_1
(BROMODOMAIN ADJACENT
TO ZINC FINGER
DOMAIN PROTEIN 2B)
5n15 BROMODOMAIN-CONTAINI
NG FACTOR 1

(Candida
albicans)
6 / 6 PRO A 233
VAL A 238
VAL A 245
TYR A 248
ASN A 291
ILE A 297
IOD  A 405 ( 4.4A)
None
IOD  A 401 ( 4.1A)
None
IOD  A 404 (-3.9A)
IOD  A 404 ( 4.8A)
0.89A 5pbeA-5n15A:
14.6
5pbeA-5n15A:
27.03
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.
5TDZ_A_ADNA905_1
(ATP-CITRATE SYNTHASE)
1q8c HYPOTHETICAL PROTEIN
MG027

(Mycoplasma
genitalium)
4 / 6 ARG A  14
THR A 118
ASP A 119
LEU A 122
IOD  A 153 ( 4.6A)
None
None
None
1.02A 5tdzA-1q8cA:
undetectable
5tdzA-1q8cA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TDZ_A_ADNA905_1
(ATP-CITRATE SYNTHASE)
1q8c HYPOTHETICAL PROTEIN
MG027

(Mycoplasma
genitalium)
4 / 6 ARG A  14
THR A 118
ASP A 119
LEU A 123
IOD  A 153 ( 4.6A)
None
None
None
1.09A 5tdzA-1q8cA:
undetectable
5tdzA-1q8cA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TUD_D_ERMD1201_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2B,SOLUBLE
CYTOCHROME B562
CHIMERA)
4k1c VACUOLAR CALCIUM ION
TRANSPORTER

(Saccharomyces
cerevisiae)
5 / 12 SER A 200
VAL A 329
PHE A 352
VAL A 364
LEU A 127
None
None
IOD  A 516 (-4.4A)
None
None
1.21A 5tudD-4k1cA:
undetectable
5tudD-4k1cA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UC3_A_486A801_2
(GLUCOCORTICOID
RECEPTOR)
5t12 PHOSPHOENOLPYRUVATE-
-PROTEIN
PHOSPHOTRANSFERASE

(Escherichia
coli)
4 / 5 LEU A 338
LEU A 343
MET A 360
GLN A 303
None
None
None
IOD  A 501 ( 4.4A)
1.23A 5uc3A-5t12A:
undetectable
5uc3A-5t12A:
17.20
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.
5VCV_A_1N1A404_1
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
6 / 12 ALA A 509
LYS A 511
GLU A 535
LEU A 603
GLY A 609
GLN A 614
5ID  A1800 (-3.4A)
IOD  A1799 (-3.2A)
None
None
5ID  A1800 (-4.7A)
5ID  A1800 ( 4.9A)
0.83A 5vcvA-2vuwA:
18.9
5vcvA-2vuwA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCY_A_DB8A401_1
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
6 / 12 VAL A 498
ALA A 509
LYS A 511
GLU A 535
LEU A 603
GLN A 614
5ID  A1800 ( 4.5A)
5ID  A1800 (-3.4A)
IOD  A1799 (-3.2A)
None
None
5ID  A1800 ( 4.9A)
0.81A 5vcyA-2vuwA:
18.6
5vcyA-2vuwA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_A_PCFA1801_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)
4nhb TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Desulfovibrio
desulfuricans)
4 / 6 ILE A  45
PHE A 146
HIS A 238
PHE A 246
IOD  A 406 ( 4.7A)
None
G3P  A 414 (-3.9A)
None
0.73A 5vkqA-4nhbA:
undetectable
5vkqB-4nhbA:
undetectable
5vkqA-4nhbA:
11.72
5vkqB-4nhbA:
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.
5VKQ_C_PCFC1801_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)
5u22 N2152
(Neocallimastix
frontalis)
4 / 9 ILE A 399
TYR A 424
ILE A 426
ILE A 428
IOD  A 509 ( 4.9A)
None
None
None
0.76A 5vkqB-5u22A:
undetectable
5vkqC-5u22A:
undetectable
5vkqB-5u22A:
12.96
5vkqC-5u22A:
12.96
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.
5VKQ_D_PCFD1807_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)
4nhb TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Desulfovibrio
desulfuricans)
4 / 6 PHE A 246
ILE A  45
PHE A 146
HIS A 238
None
IOD  A 406 ( 4.7A)
None
G3P  A 414 (-3.9A)
0.73A 5vkqA-4nhbA:
undetectable
5vkqD-4nhbA:
undetectable
5vkqA-4nhbA:
11.72
5vkqD-4nhbA:
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.
5VOO_E_C2FE3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)
1sd5 PUTATIVE
ANTITERMINATOR

(Mycobacterium
tuberculosis)
5 / 12 GLU A 170
ARG A 131
VAL A 195
LEU A 196
GLY A 160
None
None
IOD  A 415 ( 4.0A)
None
None
1.17A 5vooE-1sd5A:
2.8
5vooE-1sd5A:
21.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5W5V_A_ANWA701_0
(SERINE/THREONINE-PRO
TEIN KINASE TBK1)
4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo
sapiens)
9 / 9 LEU A  15
ALA A  36
VAL A  68
MET A  86
CYH A  89
GLY A  92
THR A  96
MET A 142
THR A 156
BX7  A 401 (-3.7A)
BX7  A 401 (-3.4A)
None
BX7  A 401 (-4.5A)
BX7  A 401 (-4.1A)
BX7  A 401 (-3.5A)
BX7  A 401 ( 4.7A)
BX7  A 401 (-3.9A)
IOD  A 402 ( 3.4A)
0.58A 5w5vA-4eutA:
27.5
5w5vA-4eutA:
70.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5W5V_A_ANWA701_0
(SERINE/THREONINE-PRO
TEIN KINASE TBK1)
4euu SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo
sapiens)
9 / 9 LEU A  15
ALA A  36
VAL A  68
MET A  86
CYH A  89
GLY A  92
THR A  96
MET A 142
THR A 156
BX7  A 401 (-3.9A)
BX7  A 401 (-3.4A)
None
BX7  A 401 (-3.7A)
BX7  A 401 (-4.1A)
BX7  A 401 (-3.3A)
BX7  A 401 ( 4.5A)
BX7  A 401 (-4.0A)
IOD  A 402 ( 3.5A)
0.59A 5w5vA-4euuA:
24.0
5w5vA-4euuA:
56.78
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.
5W8A_A_SAMA300_0
(AUTOINDUCER SYNTHASE)
3w0f ENDONUCLEASE 8-LIKE
3

(Mus
musculus)
5 / 12 THR A  79
LEU A  84
TYR A  74
ILE A 105
GLU A  12
None
None
None
IOD  A 305 ( 4.3A)
None
1.47A 5w8aA-3w0fA:
undetectable
5w8aA-3w0fA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WAU_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo
sapiens)
4 / 5 ARG A 503
PHE A 388
LEU A 487
PHE A 484
IOD  A 805 (-4.3A)
None
None
IOD  A 805 ( 4.9A)
1.32A 5wauC-4wziA:
undetectable
5wauJ-4wziA:
undetectable
5wauC-4wziA:
16.59
5wauJ-4wziA:
6.48
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.
5WAU_C_CHDC308_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo
sapiens)
4 / 5 ARG A 503
PHE A 388
LEU A 487
PHE A 484
IOD  A 805 (-4.3A)
None
None
IOD  A 805 ( 4.9A)
1.31A 5wauc-4wziA:
undetectable
5wauj-4wziA:
undetectable
5wauc-4wziA:
16.59
5wauj-4wziA:
6.48
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.
5WY0_A_SAMA800_0
(SMALL RNA
2'-O-METHYLTRANSFERA
SE)
4rx1 PUTATIVE RRNA
METHYLTRANSFERASE

(Sorangium
cellulosum)
5 / 12 GLY A  32
GLY A  34
ASP A  55
SER A  86
VAL A  87
GOL  A 303 (-3.7A)
None
GOL  A 303 ( 4.2A)
None
IOD  A 302 ( 4.3A)
0.67A 5wy0A-4rx1A:
10.8
5wy0A-4rx1A:
23.51
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.
5X1B_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo
sapiens)
3 / 3 ARG A 503
PHE A 388
LEU A 487
IOD  A 805 (-4.3A)
None
None
0.67A 5x1bC-4wziA:
undetectable
5x1bC-4wziA:
16.59
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.
5X24_A_LSNA503_1
(CYTOCHROME P450 2C9)
1mov GFP-LIKE
NON-FLUORESCENT
CHROMOPROTEIN

(Montipora
efflorescens)
4 / 6 PHE A 129
PRO A 130
GLY A 133
ASN A 132
None
IOD  A 302 ( 4.5A)
None
None
0.81A 5x24A-1movA:
0.0
5x24A-1movA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X6Y_A_SAMA901_0
(MRNA CAPPING ENZYME
P5)
4fd7 PUTATIVE
ARYLALKYLAMINE
N-ACETYLTRANSFERASE
7

(Aedes
aegypti)
5 / 11 VAL A 101
GLY A 100
ASP A  43
ALA A  44
LEU A  36
None
None
IOD  A 301 ( 4.6A)
None
None
1.02A 5x6yA-4fd7A:
undetectable
5x6yA-4fd7A:
14.50
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.
5X6Y_B_SAMB901_0
(MRNA CAPPING ENZYME
P5)
4fd7 PUTATIVE
ARYLALKYLAMINE
N-ACETYLTRANSFERASE
7

(Aedes
aegypti)
5 / 10 VAL A 101
GLY A 100
ASP A  43
ALA A  44
LEU A  36
None
None
IOD  A 301 ( 4.6A)
None
None
1.01A 5x6yB-4fd7A:
undetectable
5x6yB-4fd7A:
14.50
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.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)
1oxx ABC TRANSPORTER, ATP
BINDING PROTEIN

(Sulfolobus
solfataricus)
4 / 6 LEU K 219
VAL K  24
LEU K  21
VAL K   6
IOD  K1920 ( 4.1A)
IOD  K1920 ( 4.6A)
None
None
0.89A 5x7zA-1oxxK:
undetectable
5x7zA-1oxxK:
19.36
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.
5X80_B_SALB203_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)
1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.)
4 / 6 PRO A 262
GLY A 264
TYR A 261
LEU A 319
IOD  A9026 ( 4.4A)
IOD  A9050 ( 3.8A)
GAL  A9011 (-4.1A)
None
0.99A 5x80A-1xc6A:
undetectable
5x80B-1xc6A:
undetectable
5x80A-1xc6A:
9.78
5x80B-1xc6A:
9.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDQ_C_CHDC308_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo
sapiens)
4 / 5 ARG A 503
PHE A 388
LEU A 487
PHE A 484
IOD  A 805 (-4.3A)
None
None
IOD  A 805 ( 4.9A)
1.24A 5xdqC-4wziA:
undetectable
5xdqJ-4wziA:
undetectable
5xdqC-4wziA:
16.59
5xdqJ-4wziA:
6.48
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.
5XDQ_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo
sapiens)
4 / 5 ARG A 503
PHE A 388
LEU A 487
PHE A 484
IOD  A 805 (-4.3A)
None
None
IOD  A 805 ( 4.9A)
1.25A 5xdqP-4wziA:
undetectable
5xdqW-4wziA:
undetectable
5xdqP-4wziA:
16.59
5xdqW-4wziA:
6.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y1Y_A_HNQA201_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
5n15 BROMODOMAIN-CONTAINI
NG FACTOR 1

(Candida
albicans)
5 / 8 PRO A 233
VAL A 238
CYH A 287
ASN A 291
ILE A 297
IOD  A 405 ( 4.4A)
None
IOD  A 404 ( 4.5A)
IOD  A 404 (-3.9A)
IOD  A 404 ( 4.8A)
0.37A 5y1yA-5n15A:
18.5
5y1yA-5n15A:
36.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y1Y_A_HNQA201_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
5n15 BROMODOMAIN-CONTAINI
NG FACTOR 1

(Candida
albicans)
5 / 8 PRO A 233
VAL A 238
LEU A 243
CYH A 287
ILE A 297
IOD  A 405 ( 4.4A)
None
None
IOD  A 404 ( 4.5A)
IOD  A 404 ( 4.8A)
0.48A 5y1yA-5n15A:
18.5
5y1yA-5n15A:
36.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y1Y_A_HNQA201_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
5n15 BROMODOMAIN-CONTAINI
NG FACTOR 1

(Candida
albicans)
5 / 8 VAL A 238
LEU A 243
CYH A 287
ASN A 291
ILE A 297
None
None
IOD  A 404 ( 4.5A)
IOD  A 404 (-3.9A)
IOD  A 404 ( 4.8A)
1.11A 5y1yA-5n15A:
18.5
5y1yA-5n15A:
36.23
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.
5Y9M_A_NIOA401_1
(CASEIN KINASE II
SUBUNIT ALPHA')
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
5 / 8 VAL A 498
LYS A 511
PHE A 605
ILE A 686
ASP A 687
5ID  A1800 ( 4.5A)
IOD  A1799 (-3.2A)
5ID  A1800 (-4.1A)
IOD  A1799 (-4.2A)
IOD  A1799 (-4.0A)
0.37A 5y9mA-2vuwA:
15.4
5y9mA-2vuwA:
12.80
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.
5Y9M_X_NIOX401_1
(CASEIN KINASE II
SUBUNIT ALPHA')
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
5 / 8 VAL A 498
LYS A 511
PHE A 605
ILE A 686
ASP A 687
5ID  A1800 ( 4.5A)
IOD  A1799 (-3.2A)
5ID  A1800 (-4.1A)
IOD  A1799 (-4.2A)
IOD  A1799 (-4.0A)
0.33A 5y9mX-2vuwA:
10.9
5y9mX-2vuwA:
12.80
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.
5YF9_B_NIOB401_1
(CASEIN KINASE II
SUBUNIT ALPHA')
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
5 / 7 VAL A 498
LYS A 511
PHE A 605
ILE A 686
ASP A 687
5ID  A1800 ( 4.5A)
IOD  A1799 (-3.2A)
5ID  A1800 (-4.1A)
IOD  A1799 (-4.2A)
IOD  A1799 (-4.0A)
0.46A 5yf9B-2vuwA:
15.3
5yf9B-2vuwA:
12.80
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.
5YF9_X_NIOX401_1
(CASEIN KINASE II
SUBUNIT ALPHA')
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
6 / 9 VAL A 498
LYS A 511
ILE A 557
PHE A 605
ILE A 686
ASP A 687
5ID  A1800 ( 4.5A)
IOD  A1799 (-3.2A)
5ID  A1800 ( 4.5A)
5ID  A1800 (-4.1A)
IOD  A1799 (-4.2A)
IOD  A1799 (-4.0A)
0.58A 5yf9X-2vuwA:
15.7
5yf9X-2vuwA:
12.80
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.
5YWM_X_NIOX403_0
(CASEIN KINASE II
SUBUNIT ALPHA')
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo
sapiens)
6 / 7 VAL A 498
LYS A 511
ILE A 557
PHE A 605
ILE A 686
ASP A 687
5ID  A1800 ( 4.5A)
IOD  A1799 (-3.2A)
5ID  A1800 ( 4.5A)
5ID  A1800 (-4.1A)
IOD  A1799 (-4.2A)
IOD  A1799 (-4.0A)
0.53A 5ywmX-2vuwA:
16.0
5ywmX-2vuwA:
12.80
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.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
3oib ACYL-COA
DEHYDROGENASE

(Mycolicibacteriu
m
smegmatis)
5 / 9 VAL A 261
GLY A  75
ASP A  86
GLY A  85
PRO A  77
IOD  A 512 ( 4.1A)
None
None
None
None
1.39A 5zniA-3oibA:
undetectable
5zniA-3oibA:
11.19
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.
6A4I_A_TRPA403_0
(TRYPTOPHAN
2,3-DIOXYGENASE)
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus)
4 / 8 GLU A 204
ARG A 211
THR A 219
PRO A 218
EDO  A 910 (-3.4A)
None
None
IOD  A 933 (-4.0A)
1.06A 6a4iA-3s1sA:
undetectable
6a4iA-3s1sA:
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.
6A4I_B_TRPB403_0
(TRYPTOPHAN
2,3-DIOXYGENASE)
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus)
5 / 7 ARG A 271
GLU A 204
ARG A 211
THR A 219
PRO A 218
None
EDO  A 910 (-3.4A)
None
None
IOD  A 933 (-4.0A)
1.45A 6a4iB-3s1sA:
undetectable
6a4iB-3s1sA:
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.
6AZ3_1_PAR11803_1
(RRNA ALPHA
RIBOSOMAL PROTEIN
EL18)
1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.)
3 / 3 SER A 677
LYS A 676
SER A 674
None
None
IOD  A9061 ( 3.3A)
0.84A 6az3P-1xc6A:
undetectable
6az3P-1xc6A:
6.05
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.
6B3B_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)
4e1l ACETOACETYL-COA
THIOLASE 2

(Clostridioides
difficile)
5 / 12 GLY A 343
ASN A 317
ALA A 344
ILE A 314
LEU A 338
None
IOD  A 403 (-4.4A)
None
None
None
1.15A 6b3bA-4e1lA:
undetectable
6b3bA-4e1lA:
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.
6BXN_A_SAMA901_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)
5cqf L-LYSINE
6-MONOOXYGENASE

(Pseudomonas
syringae
group
genomosp.
3)
5 / 12 SER A 164
VAL A 162
ARG A 418
ILE A 419
ASP A 378
None
None
IOD  A 503 ( 4.9A)
None
None
1.46A 6bxnA-5cqfA:
2.9
6bxnA-5cqfA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CGG_B_84GB600_0
(BIFUNCTIONAL AAC/APH)
4e1l ACETOACETYL-COA
THIOLASE 2

(Clostridioides
difficile)
5 / 10 SER A 354
ASN A 317
HIS A 349
GLU A 315
GLU A 198
None
IOD  A 403 (-4.4A)
None
None
None
1.35A 6cggB-4e1lA:
0.0
6cggB-4e1lA:
22.22
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.
6CNJ_D_NCTD402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)
3otd TRNA(HIS)
GUANYLYLTRANSFERASE

(Homo
sapiens)
4 / 8 THR A 210
CYH A 151
TYR A  72
LEU A  51
IOD  A 270 ( 4.6A)
None
None
None
1.22A 6cnjD-3otdA:
undetectable
6cnjE-3otdA:
undetectable
6cnjD-3otdA:
14.66
6cnjE-3otdA:
13.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DEB_B_MTXB302_1
(BIFUNCTIONAL PROTEIN
FOLD)
6de8 BIFUNCTIONAL PROTEIN
FOLD

(Campylobacter
jejuni)
12 / 12 LEU A  93
GLN A  95
LEU A  96
PRO A  97
LYS A 104
ASP A 118
PHE A 120
THR A 140
SER A 166
ILE A 168
VAL A 169
THR A 265
None
None
IOD  A 304 ( 4.7A)
IOD  A 304 ( 4.8A)
IOD  A 303 (-4.1A)
None
None
None
IOD  A 303 ( 4.8A)
None
None
None
0.37A 6debB-6de8A:
48.0
6debB-6de8A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DEB_B_MTXB302_1
(BIFUNCTIONAL PROTEIN
FOLD)
6de8 BIFUNCTIONAL PROTEIN
FOLD

(Campylobacter
jejuni)
7 / 12 LEU A  93
GLN A  95
LEU A  96
PRO A  97
LYS A 104
ASP A 118
THR A 265
None
None
IOD  A 304 ( 4.7A)
IOD  A 304 ( 4.8A)
IOD  A 303 (-4.1A)
None
None
1.03A 6debB-6de8A:
48.0
6debB-6de8A:
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.
6ECT_A_SAMA1300_0
(STIE PROTEIN)
5jyd SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia)
5 / 12 GLY A  80
GLU A 110
VAL A 111
LEU A 114
ILE A 115
NAD  A 901 (-3.0A)
IOD  A 908 ( 4.4A)
None
None
None
0.77A 6ectA-5jydA:
4.8
6ectA-5jydA:
23.86
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.
6EKZ_A_SNPA413_0
(AROMATIC
PEROXYGENASE)
3nsj PERFORIN-1
(Mus
musculus)
4 / 7 GLN A 410
GLY A 475
PHE A 442
GLY A 443
IOD  A 712 (-4.4A)
None
None
None
0.93A 6ekzA-3nsjA:
undetectable
6ekzA-3nsjA:
9.23
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.
6F6J_D_ACTD404_0
(L-LYSINE
3-HYDROXYLASE)
4ph3 BLV CAPSID
(Bovine
leukemia
virus)
4 / 6 GLN A 119
TRP A 117
HIS A  70
ALA A 120
IOD  A 219 (-3.8A)
CSO  A  58 ( 4.8A)
None
None
1.13A 6f6jC-4ph3A:
undetectable
6f6jD-4ph3A:
undetectable
6f6jC-4ph3A:
14.74
6f6jD-4ph3A:
14.74
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.
6F6N_A_SREA508_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)
3da8 PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN

(Mycobacterium
tuberculosis)
5 / 10 VAL A 191
ALA A 190
LEU A  29
LEU A  25
LEU A  15
None
None
None
IOD  A 603 ( 4.6A)
None
0.96A 6f6nA-3da8A:
undetectable
6f6nB-3da8A:
undetectable
6f6nA-3da8A:
18.93
6f6nB-3da8A:
14.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FBV_D_FI8D1904_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')
4e1l ACETOACETYL-COA
THIOLASE 2

(Clostridioides
difficile)
4 / 8 ILE A  71
THR A  83
VAL A  84
LYS A  86
None
IOD  A 402 (-4.6A)
IOD  A 408 ( 4.6A)
IOD  A 408 (-3.4A)
1.16A 6fbvC-4e1lA:
undetectable
6fbvC-4e1lA:
16.90
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.
6FGD_A_ACTA812_0
(GEPHYRIN)
1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.)
4 / 6 GLU A 858
ARG A1007
VAL A 852
PRO A1002
None
None
None
IOD  A9066 ( 4.9A)
1.47A 6fgdA-1xc6A:
undetectable
6fgdA-1xc6A:
18.36
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.
6GMD_B_ACTB402_0
(CASEIN KINASE II
SUBUNIT ALPHA)
3pmc UNCHARACTERIZED
PROTEIN
PXO2-61/BXB0075/GBAA
_PXO2_0075

(Bacillus
anthracis)
3 / 3 HIS A 129
SER A 130
LYS A  68
None
IOD  A 413 (-3.2A)
IOD  A 413 (-2.6A)
1.44A 6gmdB-3pmcA:
undetectable
6gmdB-3pmcA:
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.
6H7L_A_Y00A406_1
(BETA-1 ADRENERGIC
RECEPTOR)
4gbo E7
(Thermobifida
fusca)
4 / 6 GLY A  49
LEU A  52
VAL A 200
PHE A 134
IOD  A 319 ( 4.4A)
None
None
None
0.86A 6h7lA-4gboA:
undetectable
6h7lA-4gboA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H7L_B_Y00B405_1
(BETA-1 ADRENERGIC
RECEPTOR)
4gbo E7
(Thermobifida
fusca)
4 / 6 GLY A  49
LEU A  52
VAL A 200
PHE A 134
IOD  A 319 ( 4.4A)
None
None
None
0.86A 6h7lB-4gboA:
undetectable
6h7lB-4gboA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HZP_A_FVTA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)
5wlh LBACAS13A H328A
(C2C2)

(Lachnospiraceae
bacterium
NK4A179)
4 / 8 VAL A 680
ASN A 683
GLN A1087
ILE A1080
IOD  A1510 ( 4.4A)
U  B  12 ( 3.1A)
None
None
1.02A 6hzpA-5wlhA:
undetectable
6hzpA-5wlhA:
15.26
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.
6N7F_A_RBFA502_0
(PUTATIVE GLUTATHIONE
REDUCTASE (GR))
4kca ENDO-1,5-ALPHA-L-ARA
BINANASE

(Bos
taurus)
4 / 7 GLY A 408
HIS A 501
GLU A 500
GLY A 498
None
None
None
IOD  A 715 (-4.0A)
0.91A 6n7fA-4kcaA:
undetectable
6n7fA-4kcaA:
8.35
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.
6NKN_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4j8f HEAT SHOCK 70 KDA
PROTEIN 1A/1B,
HSC70-INTERACTING
PROTEIN

(Homo
sapiens;
Rattus
norvegicus)
3 / 3 ARG A 357
LEU A 334
PHE A 198
IOD  A 608 ( 4.9A)
None
None
0.69A 6nknP-4j8fA:
undetectable
6nknP-4j8fA:
16.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NQA_K_SAMK500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)
6bxg TAIL-SPECIFIC
PROTEASE

(Vibrio
cholerae)
5 / 10 GLY A 248
GLN A 306
VAL A 305
GLU A 247
LYS A 312
None
IOD  A 408 (-3.9A)
None
IOD  A 410 ( 3.2A)
None
1.32A 6nqaK-6bxgA:
undetectable
6nqaK-6bxgA:
undetectable