SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'PRO'


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.
13GS_A_SASA211_1
(GLUTATHIONE
S-TRANSFERASE)
5lmx DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA49

(Saccharomyces
cerevisiae)
5 / 10 TYR M  76
PRO M  94
VAL M  95
VAL M  21
GLY M  24
TYR  M  76 ( 1.3A)
PRO  M  94 ( 1.1A)
VAL  M  95 ( 0.6A)
VAL  M  21 ( 0.5A)
GLY  M  24 ( 0.0A)
1.37A 13gsA-5lmxM:
undetectable
13gsA-5lmxM:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A7Y_B_DVAB2_0
(ACTINOMYCIN D)
5w0a GLUCANASE
(Trichoderma
harzianum)
3 / 3 THR A   5
PRO A   8
THR A   7
THR  A   5 ( 0.8A)
PRO  A   8 ( 1.1A)
THR  A   7 ( 0.8A)
0.83A 1a7yB-5w0aA:
undetectable
1a7yB-5w0aA:
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.
1DRF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)
1ng0 COAT PROTEIN
(Cocksfoot
mottle
virus)
5 / 12 ALA A  94
SER A 239
ILE A 241
PRO A 110
LEU A 243
ALA  A  94 ( 0.0A)
SER  A 239 ( 0.0A)
ILE  A 241 ( 0.7A)
PRO  A 110 ( 1.1A)
LEU  A 243 ( 0.6A)
0.99A 1drfA-1ng0A:
undetectable
1drfA-1ng0A:
23.26
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.
1DSC_C_DVAC2_0
(ACTINOMYCIN D)
3gle PILIN
(Streptococcus
pyogenes)
3 / 3 THR A  84
PRO A  48
THR A  50
THR  A  84 ( 0.8A)
PRO  A  48 ( 1.1A)
THR  A  50 ( 0.8A)
0.86A 1dscC-3gleA:
undetectable
1dscC-3gleA:
9.35
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.
1DSC_C_DVAC2_0
(ACTINOMYCIN D)
5w0a GLUCANASE
(Trichoderma
harzianum)
3 / 3 THR A   5
PRO A   8
THR A   7
THR  A   5 ( 0.8A)
PRO  A   8 ( 1.1A)
THR  A   7 ( 0.8A)
0.73A 1dscC-5w0aA:
undetectable
1dscC-5w0aA:
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.
1DSC_C_DVAC8_0
(ACTINOMYCIN D)
5w0a GLUCANASE
(Trichoderma
harzianum)
3 / 3 THR A   7
THR A   5
PRO A   8
THR  A   7 ( 0.8A)
THR  A   5 ( 0.8A)
PRO  A   8 ( 1.1A)
0.74A 1dscC-5w0aA:
undetectable
1dscC-5w0aA:
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.
1DSD_C_DVAC2_0
(ACTINOMYCIN D)
3d9a HEAVY CHAIN OF
HYHEL10 ANTIBODY
FRAGMENT (FAB)

(Mus
musculus)
4 / 4 THR H 417
PRO H 447
THR H 416
PRO H 418
THR  H 417 ( 0.8A)
PRO  H 447 ( 1.1A)
THR  H 416 ( 0.8A)
PRO  H 418 ( 1.1A)
1.33A 1dsdC-3d9aH:
undetectable
1dsdC-3d9aH:
13.33
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.
1DSD_C_DVAC8_0
(ACTINOMYCIN D)
3d9a HEAVY CHAIN OF
HYHEL10 ANTIBODY
FRAGMENT (FAB)

(Mus
musculus)
4 / 4 THR H 417
PRO H 447
THR H 416
PRO H 418
THR  H 417 ( 0.8A)
PRO  H 447 ( 1.1A)
THR  H 416 ( 0.8A)
PRO  H 418 ( 1.1A)
1.33A 1dsdC-3d9aH:
undetectable
1dsdC-3d9aH:
13.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DTL_A_BEPA206_1
(CARDIAC TROPONIN C)
4gow CALMODULIN
(Homo
sapiens)
4 / 8 MET D  36
GLN D  41
PRO D  43
GLU D  47
MET  D  36 ( 0.0A)
GLN  D  41 ( 0.6A)
PRO  D  43 ( 1.1A)
GLU  D  47 ( 0.5A)
1.06A 1dtlA-4gowD:
12.2
1dtlA-4gowD:
53.29
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.
1E7C_A_HLTA4004_1
(SERUM ALBUMIN)
2igw PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
3

(Caenorhabditis
elegans)
4 / 4 VAL A 104
PHE A 120
SER A 106
VAL A 135
None
PRO  A 202 (-3.6A)
None
None
1.33A 1e7cA-2igwA:
undetectable
1e7cA-2igwA:
14.44
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.
1E7W_A_MTXA301_1
(PTERIDINE REDUCTASE)
3p9w HUMAN VEGF
(Homo
sapiens)
5 / 12 PRO B  41
LEU B 108
LEU B  18
LEU B  82
ASP B  86
PRO  B  41 ( 1.1A)
LEU  B 108 ( 0.6A)
LEU  B  18 ( 0.5A)
LEU  B  82 ( 0.5A)
ASP  B  86 ( 0.5A)
1.26A 1e7wA-3p9wB:
undetectable
1e7wA-3p9wB:
19.51
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.
1EQB_A_GLYA1292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
4 / 8 SER A1272
SER A1122
HIS A1173
PHE A1216
PRO  A1602 (-3.3A)
None
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
1.13A 1eqbA-5vadA:
undetectable
1eqbB-5vadA:
undetectable
1eqbA-5vadA:
22.81
1eqbB-5vadA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQB_B_GLYB2292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
4 / 8 PHE A1216
SER A1272
SER A1122
HIS A1173
PRO  A1602 (-4.3A)
PRO  A1602 (-3.3A)
None
PRO  A1602 ( 4.5A)
1.13A 1eqbA-5vadA:
undetectable
1eqbB-5vadA:
undetectable
1eqbA-5vadA:
22.81
1eqbB-5vadA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQB_C_GLYC3292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
4 / 8 SER A1272
SER A1122
HIS A1173
PHE A1216
PRO  A1602 (-3.3A)
None
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
1.14A 1eqbC-5vadA:
undetectable
1eqbD-5vadA:
undetectable
1eqbC-5vadA:
22.81
1eqbD-5vadA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQB_D_GLYD4292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
4 / 8 PHE A1216
SER A1272
SER A1122
HIS A1173
PRO  A1602 (-4.3A)
PRO  A1602 (-3.3A)
None
PRO  A1602 ( 4.5A)
1.13A 1eqbC-5vadA:
undetectable
1eqbD-5vadA:
undetectable
1eqbC-5vadA:
22.81
1eqbD-5vadA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FJA_C_DVAC8_0
(ACTINOMYCIN D)
3gle PILIN
(Streptococcus
pyogenes)
3 / 3 THR A  50
THR A  84
PRO A  48
THR  A  50 ( 0.8A)
THR  A  84 ( 0.8A)
PRO  A  48 ( 1.1A)
0.79A 1fjaC-3gleA:
undetectable
1fjaC-3gleA:
9.35
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.
1FJA_C_DVAC8_0
(ACTINOMYCIN D)
5w0a GLUCANASE
(Trichoderma
harzianum)
3 / 3 THR A   7
THR A   5
PRO A   8
THR  A   7 ( 0.8A)
THR  A   5 ( 0.8A)
PRO  A   8 ( 1.1A)
0.78A 1fjaC-5w0aA:
undetectable
1fjaC-5w0aA:
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.
1FJA_D_DVAD8_0
(ACTINOMYCIN D)
3gle PILIN
(Streptococcus
pyogenes)
3 / 3 THR A  50
THR A  84
PRO A  48
THR  A  50 ( 0.8A)
THR  A  84 ( 0.8A)
PRO  A  48 ( 1.1A)
0.79A 1fjaD-3gleA:
undetectable
1fjaD-3gleA:
9.35
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.
1FJA_D_DVAD8_0
(ACTINOMYCIN D)
5w0a GLUCANASE
(Trichoderma
harzianum)
3 / 3 THR A   7
THR A   5
PRO A   8
THR  A   7 ( 0.8A)
THR  A   5 ( 0.8A)
PRO  A   8 ( 1.1A)
0.77A 1fjaD-5w0aA:
undetectable
1fjaD-5w0aA:
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.
1GSE_B_EAAB224_1
(GLUTATHIONE
TRANSFERASE)
2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE

(Lactococcus
lactis)
6 / 12 ARG A 134
PRO A 159
VAL A  93
LEU A  83
ALA A  79
PHE A  68
ARG  A 134 ( 0.6A)
PRO  A 159 ( 1.1A)
VAL  A  93 ( 0.6A)
LEU  A  83 ( 0.6A)
ALA  A  79 ( 0.0A)
PHE  A  68 ( 1.3A)
1.44A 1gseB-2vbfA:
undetectable
1gseB-2vbfA:
19.70
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.
1H4O_A_BEZA1162_0
(PEROXIREDOXIN 5)
4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9)
5 / 10 PRO A  57
LEU A 375
PHE A 376
THR A 311
GLY A 261
PRO  A  57 ( 1.1A)
LEU  A 375 ( 0.6A)
PHE  A 376 ( 1.3A)
THR  A 311 ( 0.8A)
GLY  A 261 ( 0.0A)
0.92A 1h4oA-4kqnA:
undetectable
1h4oB-4kqnA:
undetectable
1h4oA-4kqnA:
17.39
1h4oB-4kqnA:
17.39
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.
1I3W_E_DVAE2_0
(ACTINOMYCIN D)
5w0a GLUCANASE
(Trichoderma
harzianum)
3 / 3 THR A   5
PRO A   8
THR A   7
THR  A   5 ( 0.8A)
PRO  A   8 ( 1.1A)
THR  A   7 ( 0.8A)
0.88A 1i3wE-5w0aA:
undetectable
1i3wE-5w0aA:
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.
1I3W_E_DVAE8_0
(ACTINOMYCIN D)
5w0a GLUCANASE
(Trichoderma
harzianum)
3 / 3 THR A   7
THR A   5
PRO A   8
THR  A   7 ( 0.8A)
THR  A   5 ( 0.8A)
PRO  A   8 ( 1.1A)
0.87A 1i3wE-5w0aA:
undetectable
1i3wE-5w0aA:
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.
1I3W_G_DVAG8_0
(ACTINOMYCIN D)
5w0a GLUCANASE
(Trichoderma
harzianum)
3 / 3 THR A   7
THR A   5
PRO A   8
THR  A   7 ( 0.8A)
THR  A   5 ( 0.8A)
PRO  A   8 ( 1.1A)
0.83A 1i3wG-5w0aA:
undetectable
1i3wG-5w0aA:
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.
1I3W_H_DVAH8_0
(ACTINOMYCIN D)
5w0a GLUCANASE
(Trichoderma
harzianum)
3 / 3 THR A   7
THR A   5
PRO A   8
THR  A   7 ( 0.8A)
THR  A   5 ( 0.8A)
PRO  A   8 ( 1.1A)
0.83A 1i3wH-5w0aA:
undetectable
1i3wH-5w0aA:
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.
1ILQ_C_ACAC7_1
(INTERLEUKIN-8
PRECURSOR
INTERLEUKIN-8
RECEPTOR A)
4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS

(Bacillus
subtilis)
4 / 6 HIS A  99
ASP A  95
ASP A  65
PRO A  97
HIS  A  99 (-1.0A)
ASP  A  95 ( 0.6A)
ASP  A  65 ( 0.6A)
PRO  A  97 ( 1.0A)
1.49A 1ilqA-4yzrA:
undetectable
1ilqC-4yzrA:
undetectable
1ilqA-4yzrA:
13.02
1ilqC-4yzrA:
5.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JGS_A_SALA256_1
(MULTIPLE ANTIBIOTIC
RESISTANCE PROTEIN
MARR)
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50

(Geobacillus
stearothermophil
us)
4 / 7 PRO A 100
VAL A 131
LEU A 102
THR A 189
PRO  A 100 ( 1.1A)
VAL  A 131 ( 0.6A)
LEU  A 102 ( 0.6A)
THR  A 189 ( 0.8A)
0.88A 1jgsA-2ogsA:
undetectable
1jgsA-2ogsA:
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.
1KNY_B_KANB559_1
(KANAMYCIN
NUCLEOTIDYLTRANSFERA
SE)
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli)
4 / 8 GLU A 289
LYS A 329
SER A 440
ASP A 439
None
PRO  A   1 (-2.8A)
None
None
1.18A 1knyA-3e2sA:
undetectable
1knyB-3e2sA:
undetectable
1knyA-3e2sA:
18.61
1knyB-3e2sA:
18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L7F_A_BCZA801_1
(NEURAMINIDASE)
4p7w L-PROLINE
CIS-4-HYDROXYLASE

(Mesorhizobium
japonicum)
3 / 3 ARG A  93
ARG A  56
ARG A 118
PRO  A 303 (-2.5A)
None
PRO  A 303 ( 2.9A)
0.80A 1l7fA-4p7wA:
undetectable
1l7fA-4p7wA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L7H_A_BCZA801_1
(NEURAMINIDASE)
4p7w L-PROLINE
CIS-4-HYDROXYLASE

(Mesorhizobium
japonicum)
3 / 3 ARG A  93
ARG A  56
ARG A 118
PRO  A 303 (-2.5A)
None
PRO  A 303 ( 2.9A)
0.81A 1l7hA-4p7wA:
undetectable
1l7hA-4p7wA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LQT_A_ACTA1871_0
(FPRA)
1gc7 RADIXIN
(Mus
musculus)
4 / 7 PRO A  86
ALA A  82
PHE A  45
PHE A  44
PRO  A  86 ( 1.1A)
ALA  A  82 ( 0.0A)
PHE  A  45 ( 1.3A)
PHE  A  44 ( 1.3A)
1.19A 1lqtA-1gc7A:
undetectable
1lqtA-1gc7A:
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.
1LQU_A_ACTA1428_0
(FPRA)
1gc7 RADIXIN
(Mus
musculus)
4 / 7 PRO A  86
ALA A  82
PHE A  45
PHE A  44
PRO  A  86 ( 1.1A)
ALA  A  82 ( 0.0A)
PHE  A  45 ( 1.3A)
PHE  A  44 ( 1.3A)
1.19A 1lquA-1gc7A:
undetectable
1lquA-1gc7A:
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.
1MCN_P_DHIP1_0
(IMMUNOGLOBULIN
LAMBDA DIMER MCG
(LIGHT CHAIN)
PEPTIDE
N-ACETYL-D-HIS-L-PRO
-NH2)
3sag EXOSOME COMPONENT 10
(Homo
sapiens)
3 / 3 PHE A 198
TYR A 382
PRO A 200
PHE  A 198 ( 1.3A)
TYR  A 382 ( 1.3A)
PRO  A 200 ( 1.1A)
1.15A 1mcnA-3sagA:
undetectable
1mcnB-3sagA:
undetectable
1mcnP-3sagA:
undetectable
1mcnA-3sagA:
17.45
1mcnB-3sagA:
17.45
1mcnP-3sagA:
2.50
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.
1MCN_P_DHIP1_0
(IMMUNOGLOBULIN
LAMBDA DIMER MCG
(LIGHT CHAIN)
PEPTIDE
N-ACETYL-D-HIS-L-PRO
-NH2)
6gef TYPE IV SECRETION
SYSTEM PROTEIN DOTB

(Yersinia
pseudotuberculos
is)
3 / 3 PHE A  21
TYR A  15
PRO A  18
PHE  A  21 ( 1.3A)
TYR  A  15 ( 1.3A)
PRO  A  18 ( 1.1A)
1.09A 1mcnA-6gefA:
undetectable
1mcnB-6gefA:
undetectable
1mcnP-6gefA:
undetectable
1mcnA-6gefA:
undetectable
1mcnB-6gefA:
undetectable
1mcnP-6gefA:
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.
1MNV_D_DVAD2_0
(ACTINOMYCIN D)
5w0a GLUCANASE
(Trichoderma
harzianum)
3 / 3 THR A   5
PRO A   8
THR A   7
THR  A   5 ( 0.8A)
PRO  A   8 ( 1.1A)
THR  A   7 ( 0.8A)
0.84A 1mnvD-5w0aA:
undetectable
1mnvD-5w0aA:
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.
1NV8_A_SAMA300_0
(HEMK PROTEIN)
1omo ALANINE
DEHYDROGENASE

(Archaeoglobus
fulgidus)
5 / 12 ILE A 131
GLY A 132
GLY A 134
VAL A 158
PRO A 196
ILE  A 131 ( 0.7A)
GLY  A 132 ( 0.0A)
GLY  A 134 (-0.0A)
VAL  A 158 (-0.6A)
PRO  A 196 (-1.1A)
1.07A 1nv8A-1omoA:
5.6
1nv8A-1omoA:
24.34
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.
1NV8_B_SAMB301_0
(HEMK PROTEIN)
1omo ALANINE
DEHYDROGENASE

(Archaeoglobus
fulgidus)
5 / 12 ILE A 131
GLY A 132
GLY A 134
VAL A 158
PRO A 196
ILE  A 131 ( 0.7A)
GLY  A 132 ( 0.0A)
GLY  A 134 (-0.0A)
VAL  A 158 (-0.6A)
PRO  A 196 (-1.1A)
1.02A 1nv8B-1omoA:
5.4
1nv8B-1omoA:
24.34
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.
1NV8_B_SAMB301_0
(HEMK PROTEIN)
4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9)
5 / 12 ILE A  55
GLY A  54
GLY A  85
ILE A 118
PRO A  52
ILE  A  55 ( 0.6A)
GLY  A  54 ( 0.0A)
GLY  A  85 ( 0.0A)
ILE  A 118 ( 0.7A)
PRO  A  52 ( 1.1A)
1.06A 1nv8B-4kqnA:
undetectable
1nv8B-4kqnA:
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.
1NW5_A_SAMA401_0
(MODIFICATION
METHYLASE RSRI)
2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE

(Lactococcus
lactis)
5 / 12 ASP A 274
PRO A 235
LYS A 342
SER A 265
ALA A 273
ASP  A 274 ( 0.6A)
PRO  A 235 ( 1.1A)
LYS  A 342 ( 0.0A)
SER  A 265 ( 0.0A)
ALA  A 273 ( 0.0A)
1.27A 1nw5A-2vbfA:
undetectable
1nw5A-2vbfA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_B_BEZB503_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli)
4 / 6 ARG A 555
ALA A 436
TYR A 552
GLU A 559
PRO  A   1 (-3.8A)
FAD  A2001 (-3.3A)
PRO  A   1 (-4.7A)
FAD  A2001 (-2.8A)
1.22A 1oniB-3e2sA:
undetectable
1oniC-3e2sA:
undetectable
1oniB-3e2sA:
15.46
1oniC-3e2sA:
15.46
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.
1ONI_F_BEZF511_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli)
4 / 5 TYR A 552
GLU A 559
ARG A 555
ALA A 436
PRO  A   1 (-4.7A)
FAD  A2001 (-2.8A)
PRO  A   1 (-3.8A)
FAD  A2001 (-3.3A)
1.21A 1oniE-3e2sA:
0.8
1oniF-3e2sA:
0.7
1oniE-3e2sA:
15.46
1oniF-3e2sA:
15.46
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.
1OVF_B_DVAB2_0
(ACTINOMYCIN D)
5w0a GLUCANASE
(Trichoderma
harzianum)
3 / 3 THR A   5
PRO A   8
THR A   7
THR  A   5 ( 0.8A)
PRO  A   8 ( 1.1A)
THR  A   7 ( 0.8A)
0.82A 1ovfB-5w0aA:
undetectable
1ovfB-5w0aA:
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.
1QFI_B_DVAB8_0
(ACTINOMYCIN X2)
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50

(Geobacillus
stearothermophil
us)
3 / 3 THR A 317
THR A 315
PRO A 319
THR  A 317 ( 0.8A)
THR  A 315 ( 0.8A)
PRO  A 319 ( 1.1A)
0.86A 1qfiB-2ogsA:
undetectable
1qfiB-2ogsA:
2.37
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.
1RS7_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)
4rdc AMINO ACID/AMIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, HAAT FAMILY

(Trichormus
variabilis)
4 / 5 GLY A 158
ILE A 159
VAL A 173
SER A 132
None
None
None
PRO  A 501 (-2.6A)
1.16A 1rs7A-4rdcA:
undetectable
1rs7A-4rdcA:
20.90
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.
1RXC_B_URFB2011_1
(URIDINE
PHOSPHORYLASE)
5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Bacillus
subtilis)
4 / 8 GLY A 355
ILE A 247
VAL A  87
PRO A 242
GLY  A 355 ( 0.0A)
ILE  A 247 ( 0.6A)
VAL  A  87 ( 0.6A)
PRO  A 242 ( 1.1A)
0.97A 1rxcB-5ep8A:
3.4
1rxcB-5ep8A:
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.
1RXC_C_URFC2081_1
(URIDINE
PHOSPHORYLASE)
5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Bacillus
subtilis)
4 / 7 GLY A 355
ILE A 247
VAL A  87
PRO A 242
GLY  A 355 ( 0.0A)
ILE  A 247 ( 0.6A)
VAL  A  87 ( 0.6A)
PRO  A 242 ( 1.1A)
0.95A 1rxcC-5ep8A:
3.4
1rxcC-5ep8A:
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.
1RXC_D_URFD2021_1
(URIDINE
PHOSPHORYLASE)
5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Bacillus
subtilis)
4 / 7 GLY A 355
ILE A 247
VAL A  87
PRO A 242
GLY  A 355 ( 0.0A)
ILE  A 247 ( 0.6A)
VAL  A  87 ( 0.6A)
PRO  A 242 ( 1.1A)
0.94A 1rxcD-5ep8A:
3.2
1rxcD-5ep8A:
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.
1RXC_E_URFE2031_1
(URIDINE
PHOSPHORYLASE)
5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Bacillus
subtilis)
4 / 8 GLY A 355
ILE A 247
VAL A  87
PRO A 242
GLY  A 355 ( 0.0A)
ILE  A 247 ( 0.6A)
VAL  A  87 ( 0.6A)
PRO  A 242 ( 1.1A)
0.96A 1rxcE-5ep8A:
3.4
1rxcE-5ep8A:
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.
1RXC_F_URFF2001_1
(URIDINE
PHOSPHORYLASE)
5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Bacillus
subtilis)
4 / 7 GLY A 355
ILE A 247
VAL A  87
PRO A 242
GLY  A 355 ( 0.0A)
ILE  A 247 ( 0.6A)
VAL  A  87 ( 0.6A)
PRO  A 242 ( 1.1A)
1.00A 1rxcF-5ep8A:
3.4
1rxcF-5ep8A:
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.
1RXC_K_URFK2061_1
(URIDINE
PHOSPHORYLASE)
5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Bacillus
subtilis)
4 / 8 GLY A 355
ILE A 247
VAL A  87
PRO A 242
GLY  A 355 ( 0.0A)
ILE  A 247 ( 0.6A)
VAL  A  87 ( 0.6A)
PRO  A 242 ( 1.1A)
0.97A 1rxcK-5ep8A:
3.1
1rxcK-5ep8A:
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.
1RXC_L_URFL2071_1
(URIDINE
PHOSPHORYLASE)
5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Bacillus
subtilis)
4 / 7 GLY A 355
ILE A 247
VAL A  87
PRO A 242
GLY  A 355 ( 0.0A)
ILE  A 247 ( 0.6A)
VAL  A  87 ( 0.6A)
PRO  A 242 ( 1.1A)
0.98A 1rxcL-5ep8A:
3.2
1rxcL-5ep8A:
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.
1SQF_A_SAMA430_0
(SUN PROTEIN)
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis)
5 / 12 GLY A 141
GLY A  30
ASP A 381
GLY A 378
PRO A  82
GLY  A 141 ( 0.0A)
GLY  A  30 ( 0.0A)
ASP  A 381 ( 0.6A)
GLY  A 378 ( 0.0A)
PRO  A  82 ( 1.1A)
0.96A 1sqfA-2nvvA:
undetectable
1sqfA-2nvvA:
21.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TJ2_A_ACTA2002_0
(BIFUNCTIONAL PUTA
PROTEIN)
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli)
5 / 5 LYS A 329
ALA A 436
TYR A 552
ARG A 555
ARG A 556
PRO  A   1 (-2.8A)
FAD  A2001 (-3.3A)
PRO  A   1 (-4.7A)
PRO  A   1 (-3.8A)
PRO  A   1 (-2.8A)
0.18A 1tj2A-3e2sA:
69.1
1tj2A-3e2sA:
93.15
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.
1UNJ_L_DVAL2_0
(7-AMINO-ACTINOMYCIN
D)
5w0a GLUCANASE
(Trichoderma
harzianum)
3 / 3 THR A   5
PRO A   8
THR A   7
THR  A   5 ( 0.8A)
PRO  A   8 ( 1.1A)
THR  A   7 ( 0.8A)
0.85A 1unjL-5w0aA:
undetectable
1unjL-5w0aA:
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.
1UNJ_L_DVAL8_0
(7-AMINO-ACTINOMYCIN
D)
5w0a GLUCANASE
(Trichoderma
harzianum)
3 / 3 THR A   7
THR A   5
PRO A   8
THR  A   7 ( 0.8A)
THR  A   5 ( 0.8A)
PRO  A   8 ( 1.1A)
0.83A 1unjL-5w0aA:
undetectable
1unjL-5w0aA:
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.
1UNJ_R_DVAR2_0
(7-AMINO-ACTINOMYCIN
D)
5w0a GLUCANASE
(Trichoderma
harzianum)
3 / 3 THR A   5
PRO A   8
THR A   7
THR  A   5 ( 0.8A)
PRO  A   8 ( 1.1A)
THR  A   7 ( 0.8A)
0.85A 1unjR-5w0aA:
undetectable
1unjR-5w0aA:
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.
1UNJ_W_DVAW8_0
(7-AMINO-ACTINOMYCIN
D)
5w0a GLUCANASE
(Trichoderma
harzianum)
3 / 3 THR A   7
THR A   5
PRO A   8
THR  A   7 ( 0.8A)
THR  A   5 ( 0.8A)
PRO  A   8 ( 1.1A)
0.79A 1unjW-5w0aA:
undetectable
1unjW-5w0aA:
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.
1UNJ_X_DVAX2_0
(7-AMINO-ACTINOMYCIN
D)
5w0a GLUCANASE
(Trichoderma
harzianum)
3 / 3 THR A   5
PRO A   8
THR A   7
THR  A   5 ( 0.8A)
PRO  A   8 ( 1.1A)
THR  A   7 ( 0.8A)
0.86A 1unjX-5w0aA:
undetectable
1unjX-5w0aA:
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.
1UNM_E_DVAE2_0
(7-AMINOACTINOMYCIN D)
5w0a GLUCANASE
(Trichoderma
harzianum)
3 / 3 THR A   5
PRO A   8
THR A   7
THR  A   5 ( 0.8A)
PRO  A   8 ( 1.1A)
THR  A   7 ( 0.8A)
0.84A 1unmE-5w0aA:
undetectable
1unmE-5w0aA:
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.
1UNM_E_DVAE8_0
(7-AMINOACTINOMYCIN D)
5w0a GLUCANASE
(Trichoderma
harzianum)
3 / 3 THR A   7
THR A   5
PRO A   8
THR  A   7 ( 0.8A)
THR  A   5 ( 0.8A)
PRO  A   8 ( 1.1A)
0.80A 1unmE-5w0aA:
undetectable
1unmE-5w0aA:
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.
1UNM_F_DVAF2_0
(7-AMINOACTINOMYCIN D)
5w0a GLUCANASE
(Trichoderma
harzianum)
3 / 3 THR A   5
PRO A   8
THR A   7
THR  A   5 ( 0.8A)
PRO  A   8 ( 1.1A)
THR  A   7 ( 0.8A)
0.83A 1unmF-5w0aA:
undetectable
1unmF-5w0aA:
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.
1UNM_F_DVAF8_0
(7-AMINOACTINOMYCIN D)
5w0a GLUCANASE
(Trichoderma
harzianum)
3 / 3 THR A   7
THR A   5
PRO A   8
THR  A   7 ( 0.8A)
THR  A   5 ( 0.8A)
PRO  A   8 ( 1.1A)
0.85A 1unmF-5w0aA:
undetectable
1unmF-5w0aA:
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.
1USQ_A_CLMA1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)
4ki5 MURINE MONOCLONAL
G99 FAB HEAVY CHAIN

(Mus
musculus)
5 / 7 GLY E  54
PRO E  53
THR E  58
ILE E  51
GLY E  56
GLY  E  54 ( 0.0A)
PRO  E  53 ( 1.1A)
THR  E  58 ( 0.8A)
ILE  E  51 ( 0.7A)
GLY  E  56 ( 0.0A)
1.10A 1usqA-4ki5E:
undetectable
1usqA-4ki5E:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1USQ_B_CLMB1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)
4ki5 MURINE MONOCLONAL
G99 FAB HEAVY CHAIN

(Mus
musculus)
4 / 6 GLY E  54
PRO E  53
ILE E  51
GLY E  56
GLY  E  54 ( 0.0A)
PRO  E  53 ( 1.1A)
ILE  E  51 ( 0.7A)
GLY  E  56 ( 0.0A)
0.77A 1usqB-4ki5E:
undetectable
1usqB-4ki5E:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1USQ_C_CLMC1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)
4ki5 MURINE MONOCLONAL
G99 FAB HEAVY CHAIN

(Mus
musculus)
4 / 6 GLY E  54
PRO E  53
ILE E  51
GLY E  56
GLY  E  54 ( 0.0A)
PRO  E  53 ( 1.1A)
ILE  E  51 ( 0.7A)
GLY  E  56 ( 0.0A)
0.77A 1usqC-4ki5E:
undetectable
1usqC-4ki5E:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1USQ_D_CLMD1142_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)
4ki5 MURINE MONOCLONAL
G99 FAB HEAVY CHAIN

(Mus
musculus)
4 / 6 GLY E  54
PRO E  53
ILE E  51
GLY E  56
GLY  E  54 ( 0.0A)
PRO  E  53 ( 1.1A)
ILE  E  51 ( 0.7A)
GLY  E  56 ( 0.0A)
0.77A 1usqD-4ki5E:
undetectable
1usqD-4ki5E:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1USQ_E_CLME1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)
4ki5 MURINE MONOCLONAL
G99 FAB HEAVY CHAIN

(Mus
musculus)
4 / 6 GLY E  54
PRO E  53
ILE E  51
GLY E  56
GLY  E  54 ( 0.0A)
PRO  E  53 ( 1.1A)
ILE  E  51 ( 0.7A)
GLY  E  56 ( 0.0A)
0.77A 1usqE-4ki5E:
undetectable
1usqE-4ki5E:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WG8_B_SAMB3141_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)
2ixq PROTEIN AFAD
(Escherichia
coli)
5 / 12 PRO A  86
GLY A  68
GLY A  69
GLY A  71
GLN A  44
PRO  A  86 ( 1.0A)
GLY  A  68 ( 0.0A)
GLY  A  69 ( 0.0A)
GLY  A  71 ( 0.0A)
GLN  A  44 ( 0.6A)
1.04A 1wg8B-2ixqA:
undetectable
1wg8B-2ixqA:
18.60
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.
1WSV_A_THHA3001_1
(AMINOMETHYLTRANSFERA
SE)
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli)
3 / 3 ASP A 370
GLU A 559
TYR A 466
PRO  A   1 ( 3.8A)
FAD  A2001 (-2.8A)
None
0.83A 1wsvA-3e2sA:
undetectable
1wsvA-3e2sA:
22.79
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.
1X70_A_715A801_1
(DIPEPTIDYL PEPTIDASE
IV)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
9 / 12 ARG A 106
GLU A 208
GLU A 209
TYR A 527
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
ILE  A 801 (-4.2A)
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
0.75A 1x70A-5yp3A:
34.6
1x70A-5yp3A:
8.39
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.
1X70_A_715A801_1
(DIPEPTIDYL PEPTIDASE
IV)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
9 / 12 GLU A 208
GLU A 209
TYR A 527
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
HIS A 721
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
ILE  A 801 (-4.5A)
0.42A 1x70A-5yp3A:
34.6
1x70A-5yp3A:
8.39
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.
1X70_B_715B801_1
(DIPEPTIDYL PEPTIDASE
IV)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
9 / 12 ARG A 106
GLU A 208
GLU A 209
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
ILE  A 801 (-4.2A)
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
0.78A 1x70B-5yp3A:
34.5
1x70B-5yp3A:
8.39
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.
1X70_B_715B801_1
(DIPEPTIDYL PEPTIDASE
IV)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
9 / 12 GLU A 208
GLU A 209
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
HIS A 721
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
ILE  A 801 (-4.5A)
0.49A 1x70B-5yp3A:
34.5
1x70B-5yp3A:
8.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XMU_A_ROFA101_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo
sapiens)
12 / 12 TYR A 159
HIS A 160
ASP A 318
LEU A 319
PRO A 322
TYR A 329
TRP A 332
ILE A 336
PHE A 340
MET A 357
SER A 368
PHE A 372
TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
TRP  A 332 ( 0.5A)
ILE  A 336 ( 0.4A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
PHE  A 372 (-1.3A)
0.61A 1xmuA-3sl5A:
51.4
1xmuA-3sl5A:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XMU_B_ROFB102_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo
sapiens)
12 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
PRO A 322
TYR A 329
TRP A 332
ILE A 336
PHE A 340
MET A 357
SER A 368
TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
TRP  A 332 ( 0.5A)
ILE  A 336 ( 0.4A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
0.44A 1xmuB-3sl5A:
51.1
1xmuB-3sl5A:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOQ_A_ROFA502_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo
sapiens)
11 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
PRO A 322
TYR A 329
THR A 333
ILE A 336
MET A 357
SER A 368
TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
0.54A 1xoqA-3sl5A:
53.5
1xoqA-3sl5A:
94.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOQ_A_ROFA502_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo
sapiens)
11 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
PRO A 322
TYR A 329
THR A 333
ILE A 336
SER A 368
PHE A 372
TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
SER  A 368 (-0.0A)
PHE  A 372 (-1.3A)
0.52A 1xoqA-3sl5A:
53.5
1xoqA-3sl5A:
94.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOQ_B_ROFB501_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo
sapiens)
11 / 12 TYR A 159
HIS A 160
ASP A 318
LEU A 319
PRO A 322
TYR A 329
TRP A 332
THR A 333
ILE A 336
MET A 357
SER A 368
TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
TRP  A 332 ( 0.5A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
0.49A 1xoqB-3sl5A:
53.4
1xoqB-3sl5A:
94.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOQ_B_ROFB501_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo
sapiens)
11 / 12 TYR A 159
HIS A 160
ASP A 318
LEU A 319
PRO A 322
TYR A 329
TRP A 332
THR A 333
ILE A 336
SER A 368
PHE A 372
TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
TRP  A 332 ( 0.5A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
SER  A 368 (-0.0A)
PHE  A 372 (-1.3A)
0.50A 1xoqB-3sl5A:
53.4
1xoqB-3sl5A:
94.56
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.
1Z9H_D_IMND476_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)
2j5b TYROSYL-TRNA
SYNTHETASE

(Acanthamoeba
polyphaga
mimivirus)
5 / 12 PRO A 258
ILE A 259
VAL A 303
ILE A 232
LEU A 267
PRO  A 258 ( 1.1A)
ILE  A 259 ( 0.7A)
VAL  A 303 ( 0.6A)
ILE  A 232 ( 0.7A)
LEU  A 267 ( 0.6A)
1.15A 1z9hD-2j5bA:
2.7
1z9hD-2j5bA:
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.
1ZLQ_A_ACTA1502_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)
4mwt LYSOSOMAL PROTECTIVE
PROTEIN

(Homo
sapiens)
4 / 5 PRO A 329
GLY A 105
ASN A 335
GLY A 103
PRO  A 329 ( 1.1A)
GLY  A 105 ( 0.0A)
ASN  A 335 ( 0.6A)
GLY  A 103 ( 0.0A)
1.16A 1zlqA-4mwtA:
undetectable
1zlqA-4mwtA:
20.92
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.
209D_C_DVAC8_0
(N8-ACTINOMYCIN D)
3gle PILIN
(Streptococcus
pyogenes)
3 / 3 THR A  50
THR A  84
PRO A  48
THR  A  50 ( 0.8A)
THR  A  84 ( 0.8A)
PRO  A  48 ( 1.1A)
0.81A 209dC-3gleA:
undetectable
209dC-3gleA:
9.35
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.
209D_C_DVAC8_0
(N8-ACTINOMYCIN D)
5w0a GLUCANASE
(Trichoderma
harzianum)
3 / 3 THR A   7
THR A   5
PRO A   8
THR  A   7 ( 0.8A)
THR  A   5 ( 0.8A)
PRO  A   8 ( 1.1A)
0.87A 209dC-5w0aA:
undetectable
209dC-5w0aA:
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.
2AOF_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)
5jja SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
56 KDA REGULATORY
SUBUNIT GAMMA
ISOFORM

(Homo
sapiens)
4 / 5 GLY A 191
PRO A 152
ALA A 155
ILE A 159
GLY  A 191 ( 0.0A)
PRO  A 152 ( 1.1A)
ALA  A 155 ( 0.0A)
ILE  A 159 ( 0.7A)
0.88A 2aofA-5jjaA:
undetectable
2aofA-5jjaA:
16.72
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.
2AOF_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)
1aoa T-FIMBRIN
(Homo
sapiens)
4 / 5 LEU A 306
PRO A 311
ALA A 310
ILE A 309
LEU  A 306 ( 0.6A)
PRO  A 311 ( 1.1A)
ALA  A 310 ( 0.0A)
ILE  A 309 ( 0.3A)
0.90A 2aofB-1aoaA:
undetectable
2aofB-1aoaA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AOI_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)
4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS

(Bacillus
subtilis)
4 / 5 LEU A 157
PRO A 150
VAL A 153
ILE A 154
LEU  A 157 ( 0.6A)
PRO  A 150 ( 1.1A)
VAL  A 153 ( 0.6A)
ILE  A 154 ( 0.7A)
1.00A 2aoiB-4yzrA:
undetectable
2aoiB-4yzrA:
12.81
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.
2AOI_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)
5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4

(Homo
sapiens)
4 / 5 LEU A  49
PRO A  52
VAL A  51
ILE A  50
LEU  A  49 ( 0.6A)
PRO  A  52 ( 1.1A)
VAL  A  51 ( 0.6A)
ILE  A  50 ( 0.6A)
1.01A 2aoiB-5nksA:
undetectable
2aoiB-5nksA:
9.95
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.
2E5D_A_NCAA1501_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
5dis SNURPORTIN-1
(Homo
sapiens)
4 / 7 ARG C 129
ASP C 187
ASP C 173
TYR C 266
PRO  C 301 (-4.4A)
None
None
None
1.11A 2e5dA-5disC:
undetectable
2e5dB-5disC:
undetectable
2e5dA-5disC:
20.28
2e5dB-5disC:
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.
2E5D_B_NCAB1502_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
5dis SNURPORTIN-1
(Homo
sapiens)
4 / 7 ASP C 173
TYR C 266
ARG C 129
ASP C 187
None
None
PRO  C 301 (-4.4A)
None
1.12A 2e5dA-5disC:
undetectable
2e5dB-5disC:
undetectable
2e5dA-5disC:
20.28
2e5dB-5disC:
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.
2HDN_B_TACB1888_1
(ELONGATION FACTOR
EF-TU)
4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9)
4 / 5 THR A  87
SER A 369
PRO A  52
SER A 368
THR  A  87 ( 0.8A)
SER  A 369 ( 0.0A)
PRO  A  52 ( 1.1A)
SER  A 368 ( 0.0A)
1.45A 2hdnA-4kqnA:
undetectable
2hdnB-4kqnA:
3.2
2hdnD-4kqnA:
3.6
2hdnA-4kqnA:
7.37
2hdnB-4kqnA:
22.64
2hdnD-4kqnA:
22.64
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.
2HDN_D_TACD2888_1
(ELONGATION FACTOR
EF-TU)
4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9)
4 / 5 SER A 368
THR A  87
SER A 369
PRO A  52
SER  A 368 ( 0.0A)
THR  A  87 ( 0.8A)
SER  A 369 ( 0.0A)
PRO  A  52 ( 1.1A)
1.45A 2hdnB-4kqnA:
3.2
2hdnC-4kqnA:
undetectable
2hdnD-4kqnA:
3.3
2hdnB-4kqnA:
22.64
2hdnC-4kqnA:
7.37
2hdnD-4kqnA:
22.64
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.
2HJH_B_NCAB901_0
(NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2)
3r64 NAD DEPENDENT
BENZALDEHYDE
DEHYDROGENASE

(Corynebacterium
glutamicum)
4 / 5 ILE A 181
PRO A 183
PHE A 223
VAL A 212
ILE  A 181 ( 0.7A)
PRO  A 183 ( 1.1A)
PHE  A 223 ( 1.3A)
VAL  A 212 ( 0.6A)
1.39A 2hjhB-3r64A:
undetectable
2hjhB-3r64A:
20.35
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.
2HRC_A_CHDA703_0
(FERROCHELATASE)
5xlu GAMMA GLUTAMYL
TRANSPEPTIDASE

(Bacillus
licheniformis)
4 / 4 LEU A 345
PRO A 344
LEU A 348
ARG A 331
LEU  A 345 ( 0.5A)
PRO  A 344 ( 1.1A)
LEU  A 348 ( 0.5A)
ARG  A 331 ( 0.6A)
1.42A 2hrcA-5xluA:
undetectable
2hrcA-5xluA:
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.
2HRE_B_CHDB701_0
(FERROCHELATASE)
3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Bordetella
parapertussis)
3 / 3 LYS A 123
GLY A 263
PRO A 260
LYS  A 123 ( 0.0A)
GLY  A 263 ( 0.0A)
PRO  A 260 ( 1.1A)
0.95A 2hreB-3pu5A:
undetectable
2hreB-3pu5A:
20.80
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.
2HRE_D_CHDD702_0
(FERROCHELATASE)
1vho ENDOGLUCANASE
(Thermotoga
maritima)
3 / 3 ARG A 316
GLY A 243
PRO A 244
ARG  A 316 ( 0.6A)
GLY  A 243 ( 0.0A)
PRO  A 244 ( 1.1A)
0.70A 2hreD-1vhoA:
2.4
2hreD-1vhoA:
23.48
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.
2J9C_C_ACTC1120_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)
4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA

(Homo
sapiens)
3 / 3 LYS A 256
TYR A 138
PRO A 153
LYS  A 256 ( 0.0A)
TYR  A 138 ( 1.3A)
PRO  A 153 ( 1.1A)
1.30A 2j9cC-4hneA:
undetectable
2j9cC-4hneA:
15.01
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.
2JJP_A_KLNA413_1
(CYTOCHROME P450
113A1)
5wpi HSVA
(Erwinia
amylovora)
5 / 12 PRO A  17
ALA A 352
ALA A 119
PHE A 149
ILE A 152
PRO  A  17 ( 1.1A)
ALA  A 352 ( 0.0A)
ALA  A 119 ( 0.0A)
PHE  A 149 ( 1.3A)
ILE  A 152 ( 0.6A)
1.30A 2jjpA-5wpiA:
undetectable
2jjpA-5wpiA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JKJ_A_CLMA1141_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)
4ki5 MURINE MONOCLONAL
G99 FAB HEAVY CHAIN

(Mus
musculus)
4 / 6 GLY E  54
PRO E  53
ILE E  51
GLY E  56
GLY  E  54 ( 0.0A)
PRO  E  53 ( 1.1A)
ILE  E  51 ( 0.7A)
GLY  E  56 ( 0.0A)
0.84A 2jkjA-4ki5E:
undetectable
2jkjA-4ki5E:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JKJ_B_CLMB1141_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)
4ki5 MURINE MONOCLONAL
G99 FAB HEAVY CHAIN

(Mus
musculus)
4 / 6 GLY E  54
PRO E  53
ILE E  51
GLY E  56
GLY  E  54 ( 0.0A)
PRO  E  53 ( 1.1A)
ILE  E  51 ( 0.7A)
GLY  E  56 ( 0.0A)
0.84A 2jkjB-4ki5E:
undetectable
2jkjB-4ki5E:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JKJ_C_CLMC1141_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)
4ki5 MURINE MONOCLONAL
G99 FAB HEAVY CHAIN

(Mus
musculus)
4 / 6 GLY E  54
PRO E  53
ILE E  51
GLY E  56
GLY  E  54 ( 0.0A)
PRO  E  53 ( 1.1A)
ILE  E  51 ( 0.7A)
GLY  E  56 ( 0.0A)
0.84A 2jkjC-4ki5E:
undetectable
2jkjC-4ki5E:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JKJ_D_CLMD1142_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)
5gpr CHITINASE
(Ostrinia
furnacalis)
4 / 5 PRO A 273
PRO A 186
ILE A 185
GLY A 266
PRO  A 273 ( 1.1A)
PRO  A 186 ( 1.1A)
ILE  A 185 ( 0.7A)
GLY  A 266 ( 0.0A)
1.08A 2jkjD-5gprA:
undetectable
2jkjD-5gprA:
14.85
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.
2JKJ_F_CLMF1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)
5gpr CHITINASE
(Ostrinia
furnacalis)
4 / 5 PRO A 273
PRO A 186
ILE A 185
GLY A 266
PRO  A 273 ( 1.1A)
PRO  A 186 ( 1.1A)
ILE  A 185 ( 0.7A)
GLY  A 266 ( 0.0A)
1.08A 2jkjF-5gprA:
undetectable
2jkjF-5gprA:
14.85
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.
2JKL_A_CLMA1144_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)
4ki5 MURINE MONOCLONAL
G99 FAB HEAVY CHAIN

(Mus
musculus)
5 / 7 GLY E  54
PRO E  53
THR E  58
ILE E  51
GLY E  56
GLY  E  54 ( 0.0A)
PRO  E  53 ( 1.1A)
THR  E  58 ( 0.8A)
ILE  E  51 ( 0.7A)
GLY  E  56 ( 0.0A)
1.12A 2jklA-4ki5E:
undetectable
2jklA-4ki5E:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JKL_B_CLMB1144_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)
4ki5 MURINE MONOCLONAL
G99 FAB HEAVY CHAIN

(Mus
musculus)
4 / 6 GLY E  54
PRO E  53
ILE E  51
GLY E  56
GLY  E  54 ( 0.0A)
PRO  E  53 ( 1.1A)
ILE  E  51 ( 0.7A)
GLY  E  56 ( 0.0A)
0.83A 2jklB-4ki5E:
undetectable
2jklB-4ki5E:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JKL_C_CLMC1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)
4ki5 MURINE MONOCLONAL
G99 FAB HEAVY CHAIN

(Mus
musculus)
5 / 7 GLY E  54
PRO E  53
THR E  58
ILE E  51
GLY E  56
GLY  E  54 ( 0.0A)
PRO  E  53 ( 1.1A)
THR  E  58 ( 0.8A)
ILE  E  51 ( 0.7A)
GLY  E  56 ( 0.0A)
1.12A 2jklC-4ki5E:
undetectable
2jklC-4ki5E:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JKL_D_CLMD1145_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)
4ki5 MURINE MONOCLONAL
G99 FAB HEAVY CHAIN

(Mus
musculus)
5 / 7 GLY E  54
PRO E  53
THR E  58
ILE E  51
GLY E  56
GLY  E  54 ( 0.0A)
PRO  E  53 ( 1.1A)
THR  E  58 ( 0.8A)
ILE  E  51 ( 0.7A)
GLY  E  56 ( 0.0A)
1.11A 2jklD-4ki5E:
undetectable
2jklD-4ki5E:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JKL_F_CLMF1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)
4ki5 MURINE MONOCLONAL
G99 FAB HEAVY CHAIN

(Mus
musculus)
5 / 7 GLY E  54
PRO E  53
THR E  58
ILE E  51
GLY E  56
GLY  E  54 ( 0.0A)
PRO  E  53 ( 1.1A)
THR  E  58 ( 0.8A)
ILE  E  51 ( 0.7A)
GLY  E  56 ( 0.0A)
1.11A 2jklF-4ki5E:
undetectable
2jklF-4ki5E:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NV4_A_SAMA201_0
(UPF0066 PROTEIN
AF_0241)
4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA

(Homo
sapiens)
5 / 12 ALA A 350
GLN A 426
ASP A 182
PRO A 356
LEU A 184
ALA  A 350 ( 0.0A)
GLN  A 426 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 356 ( 1.1A)
LEU  A 184 ( 0.6A)
1.32A 2nv4A-4hneA:
undetectable
2nv4A-4hneA:
19.95
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.
2NYU_B_SAMB201_1
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)
1ted PKS18
(Mycobacterium
tuberculosis)
4 / 5 PRO A  99
ALA A 100
ASP A  89
ASP A 104
PRO  A  99 ( 1.1A)
ALA  A 100 ( 0.0A)
ASP  A  89 ( 0.5A)
ASP  A 104 ( 0.6A)
1.19A 2nyuB-1tedA:
undetectable
2nyuB-1tedA:
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.
2PYN_A_1UNA1001_3
(PROTEASE RETROPEPSIN)
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis)
3 / 3 ASP A 413
THR A 393
PRO A 394
ASP  A 413 (-0.5A)
THR  A 393 ( 0.8A)
PRO  A 394 ( 1.1A)
0.61A 2pynB-2nvvA:
undetectable
2pynB-2nvvA:
12.61
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.
2Q64_B_1UNB1001_4
(PROTEASE RETROPEPSIN)
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis)
3 / 3 ASP A 413
THR A 393
PRO A 394
ASP  A 413 (-0.5A)
THR  A 393 ( 0.8A)
PRO  A 394 ( 1.1A)
0.60A 2q64B-2nvvA:
undetectable
2q64B-2nvvA:
12.61
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.
2Q64_B_1UNB1001_4
(PROTEASE RETROPEPSIN)
5c6d UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7

(Homo
sapiens)
3 / 3 ASP A 722
THR A 707
PRO A 708
ASP  A 722 ( 0.6A)
THR  A 707 ( 0.8A)
PRO  A 708 ( 1.1A)
0.64A 2q64B-5c6dA:
undetectable
2q64B-5c6dA:
15.58
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.
2QAK_A_1UNA1001_4
(PROTEASE RETROPEPSIN)
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis)
3 / 3 ASP A 413
THR A 393
PRO A 394
ASP  A 413 (-0.5A)
THR  A 393 ( 0.8A)
PRO  A 394 ( 1.1A)
0.57A 2qakB-2nvvA:
undetectable
2qakB-2nvvA:
12.61
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.
2QD4_A_CHDA803_0
(FERROCHELATASE)
3gnr OS03G0212800 PROTEIN
(Oryza
sativa)
4 / 5 LEU A 135
PRO A 136
LEU A 139
ILE A 151
LEU  A 135 ( 0.6A)
PRO  A 136 ( 1.1A)
LEU  A 139 ( 0.6A)
ILE  A 151 ( 0.4A)
0.81A 2qd4A-3gnrA:
undetectable
2qd4A-3gnrA:
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.
2QD5_B_CHDB1104_0
(FERROCHELATASE)
4flx DNA POLYMERASE 1
(Pyrococcus
abyssi)
3 / 3 LEU A 571
PRO A 572
LEU A 575
LEU  A 571 ( 0.5A)
PRO  A 572 ( 1.1A)
LEU  A 575 ( 0.6A)
0.47A 2qd5B-4flxA:
undetectable
2qd5B-4flxA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEU_B_ACTB141_0
(PUTATIVE
CARBOXYMUCONOLACTONE
DECARBOXYLASE)
3gnr OS03G0212800 PROTEIN
(Oryza
sativa)
3 / 3 PRO A 403
ASN A 401
ARG A 459
PRO  A 403 (-1.1A)
ASN  A 401 ( 0.6A)
ARG  A 459 ( 0.6A)
1.05A 2qeuB-3gnrA:
1.8
2qeuB-3gnrA:
13.29
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.
2QEU_B_ACTB141_0
(PUTATIVE
CARBOXYMUCONOLACTONE
DECARBOXYLASE)
4cgu PROTEIN INTERACTING
WITH HSP90 1

(Saccharomyces
cerevisiae)
3 / 3 PRO B 265
ASN B 287
ARG B 338
PRO  B 265 ( 1.1A)
ASN  B 287 ( 0.6A)
ARG  B 338 ( 0.6A)
1.01A 2qeuB-4cguB:
undetectable
2qeuB-4cguB:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
9 / 12 GLU A 208
GLU A 209
TRP A 612
SER A 613
VAL A 639
TYR A 645
TYR A 649
VAL A 692
HIS A 721
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
None
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
None
ILE  A 801 (-4.5A)
0.75A 2rguA-5yp3A:
34.5
2rguA-5yp3A:
8.39
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.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
8 / 12 GLU A 208
GLU A 209
TYR A 527
TRP A 612
SER A 613
VAL A 639
TYR A 645
TYR A 649
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
None
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
0.82A 2rguA-5yp3A:
34.5
2rguA-5yp3A:
8.39
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.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
5 / 12 GLU A 208
TYR A 527
SER A 613
VAL A 639
TYR A 645
ILE  A 801 (-3.4A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
1.19A 2rguA-5yp3A:
34.5
2rguA-5yp3A:
8.39
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.
2RGU_B_356B902_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
9 / 11 GLU A 208
GLU A 209
TRP A 612
SER A 613
VAL A 639
TYR A 645
TYR A 649
VAL A 692
HIS A 721
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
None
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
None
ILE  A 801 (-4.5A)
0.72A 2rguB-5yp3A:
34.6
2rguB-5yp3A:
8.39
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.
2RGU_B_356B902_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
8 / 11 GLU A 208
GLU A 209
TYR A 527
TRP A 612
SER A 613
VAL A 639
TYR A 645
TYR A 649
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
None
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
0.82A 2rguB-5yp3A:
34.6
2rguB-5yp3A:
8.39
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.
2RGU_B_356B902_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
5 / 11 GLU A 208
TYR A 527
SER A 613
VAL A 639
TYR A 645
ILE  A 801 (-3.4A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
1.23A 2rguB-5yp3A:
34.6
2rguB-5yp3A:
8.39
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.
2V32_D_BEZD1221_0
(PEROXIREDOXIN 6)
5c05 PUTATIVE
GAMMA-TERPINENE
SYNTHASE

(Thymus
vulgaris)
4 / 8 VAL A 448
THR A 454
PRO A 453
SER A 457
VAL  A 448 ( 0.5A)
THR  A 454 ( 0.8A)
PRO  A 453 ( 1.1A)
SER  A 457 ( 0.0A)
0.95A 2v32C-5c05A:
undetectable
2v32D-5c05A:
undetectable
2v32C-5c05A:
17.32
2v32D-5c05A:
17.32
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.
2VOU_B_ACTB1391_0
(2,6-DIHYDROXYPYRIDIN
E HYDROXYLASE)
1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F)
3 / 3 PRO A 632
GLY A 705
TYR A 716
PRO  A 632 ( 1.1A)
GLY  A 705 ( 0.0A)
TYR  A 716 ( 1.3A)
0.65A 2vouB-1v0fA:
undetectable
2vouB-1v0fA:
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.
2VOU_C_ACTC1391_0
(2,6-DIHYDROXYPYRIDIN
E HYDROXYLASE)
1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F)
3 / 3 PRO A 632
GLY A 705
TYR A 716
PRO  A 632 ( 1.1A)
GLY  A 705 ( 0.0A)
TYR  A 716 ( 1.3A)
0.66A 2vouC-1v0fA:
undetectable
2vouC-1v0fA:
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.
2VOU_C_ACTC1391_0
(2,6-DIHYDROXYPYRIDIN
E HYDROXYLASE)
4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN

(Mycolicibacteriu
m
fortuitum)
3 / 3 PRO A 238
GLY A 162
TYR A 244
PRO  A 238 ( 1.1A)
GLY  A 162 ( 0.0A)
TYR  A 244 ( 1.3A)
0.72A 2vouC-4w65A:
undetectable
2vouC-4w65A:
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.
2VQ5_B_LDPB1197_1
(S-NORCOCLAURINE
SYNTHASE)
3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350

(Thermus
thermophilus)
4 / 7 LEU A  23
LEU A  27
LEU A 145
PRO A 176
LEU  A  23 ( 0.6A)
LEU  A  27 ( 0.6A)
LEU  A 145 ( 0.6A)
PRO  A 176 ( 1.1A)
0.80A 2vq5B-3ab7A:
undetectable
2vq5B-3ab7A:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3M_A_FOLA1188_0
(DIHYDROFOLATE
REDUCTASE)
5wpi HSVA
(Erwinia
amylovora)
5 / 12 ILE A  38
ALA A 119
ILE A  51
PRO A  52
ASN A  55
ILE  A  38 ( 0.7A)
ALA  A 119 ( 0.0A)
ILE  A  51 ( 0.7A)
PRO  A  52 ( 1.1A)
ASN  A  55 ( 0.6A)
1.01A 2w3mA-5wpiA:
undetectable
2w3mA-5wpiA:
18.89
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.
2WEK_B_DIFB1374_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)
5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4

(Homo
sapiens)
4 / 6 PRO A 220
ILE A 217
ASN A 347
LEU A 213
PRO  A 220 ( 1.1A)
ILE  A 217 ( 0.7A)
ASN  A 347 ( 0.6A)
LEU  A 213 ( 0.5A)
1.37A 2wekB-5nksA:
undetectable
2wekB-5nksA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7K_A_SALA1303_1
(LYSR-TYPE REGULATORY
PROTEIN)
3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE

(Citrus
x
microcarpa)
4 / 7 PHE A 275
ILE A 309
PRO A 375
GLY A 374
PHE  A 275 ( 1.3A)
ILE  A 309 ( 0.7A)
PRO  A 375 ( 1.1A)
GLY  A 374 ( 0.0A)
0.92A 2y7kA-3wd7A:
undetectable
2y7kA-3wd7A:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YGP_A_PCFA1213_0
(WNT INHIBITORY
FACTOR 1)
4ki5 COAGULATION FACTOR
VIII

(Homo
sapiens)
5 / 12 ILE M2190
ILE M2185
VAL M2243
VAL M2240
PRO M2177
ILE  M2190 ( 0.7A)
ILE  M2185 ( 0.7A)
VAL  M2243 ( 0.6A)
VAL  M2240 ( 0.6A)
PRO  M2177 ( 1.1A)
0.94A 2ygpA-4ki5M:
undetectable
2ygpA-4ki5M:
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.
2ZGW_A_ADNA1301_1
(BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)
3sag EXOSOME COMPONENT 10
(Homo
sapiens)
4 / 7 ARG A 452
ALA A 270
PRO A 267
ALA A 268
ARG  A 452 ( 0.6A)
ALA  A 270 ( 0.0A)
PRO  A 267 ( 1.1A)
ALA  A 268 ( 0.0A)
1.07A 2zgwA-3sagA:
undetectable
2zgwA-3sagA:
19.31
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.
2ZIF_A_SAMA298_0
(PUTATIVE
MODIFICATION
METHYLASE)
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli)
5 / 12 ALA A 488
PRO A 154
PHE A 169
GLY A 199
THR A 198
ALA  A 488 ( 0.0A)
PRO  A 154 (-1.1A)
PHE  A 169 ( 1.3A)
GLY  A 199 ( 0.0A)
THR  A 198 ( 0.8A)
1.04A 2zifA-3ulkA:
undetectable
2zifA-3ulkA:
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.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)
5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4

(Homo
sapiens)
3 / 3 PRO A 306
GLU A 221
TYR A 290
PRO  A 306 ( 1.1A)
GLU  A 221 ( 0.6A)
TYR  A 290 ( 1.3A)
0.79A 2zmbA-5nksA:
undetectable
2zmbA-5nksA:
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.
2ZWE_B_DAHB98_1
(TYROSINASE
MELC)
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli)
5 / 11 ASN A 181
HIS A 178
VAL A 177
ASP A 182
PRO A 183
ASN  A 181 ( 0.6A)
HIS  A 178 ( 1.0A)
VAL  A 177 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 183 ( 1.1A)
0.96A 2zweA-3ulkA:
undetectable
2zweB-3ulkA:
undetectable
2zweA-3ulkA:
19.11
2zweB-3ulkA:
13.22
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.
2ZWF_B_DAHB98_1
(TYROSINASE
MELC)
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli)
5 / 11 ASN A 181
HIS A 178
VAL A 177
ASP A 182
PRO A 183
ASN  A 181 ( 0.6A)
HIS  A 178 ( 1.0A)
VAL  A 177 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 183 ( 1.1A)
0.96A 2zwfA-3ulkA:
undetectable
2zwfB-3ulkA:
undetectable
2zwfA-3ulkA:
19.11
2zwfB-3ulkA:
13.22
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.
2ZWG_B_DAHB98_1
(TYROSINASE
MELC)
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli)
5 / 11 ASN A 181
HIS A 178
VAL A 177
ASP A 182
PRO A 183
ASN  A 181 ( 0.6A)
HIS  A 178 ( 1.0A)
VAL  A 177 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 183 ( 1.1A)
0.97A 2zwgA-3ulkA:
undetectable
2zwgB-3ulkA:
undetectable
2zwgA-3ulkA:
19.11
2zwgB-3ulkA:
13.22
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.
316D_C_DVAC2_0
(8-FLUORO-ACTINOMYCIN
D)
3gle PILIN
(Streptococcus
pyogenes)
3 / 3 THR A  84
PRO A  48
THR A  50
THR  A  84 ( 0.8A)
PRO  A  48 ( 1.1A)
THR  A  50 ( 0.8A)
0.81A 316dC-3gleA:
undetectable
316dC-3gleA:
9.35
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.
316D_C_DVAC2_0
(8-FLUORO-ACTINOMYCIN
D)
5w0a GLUCANASE
(Trichoderma
harzianum)
3 / 3 THR A   5
PRO A   8
THR A   7
THR  A   5 ( 0.8A)
PRO  A   8 ( 1.1A)
THR  A   7 ( 0.8A)
0.81A 316dC-5w0aA:
undetectable
316dC-5w0aA:
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.
3A25_A_SAMA279_0
(UNCHARACTERIZED
PROTEIN PH0793)
4rdc AMINO ACID/AMIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, HAAT FAMILY

(Trichormus
variabilis)
5 / 12 ASN A 201
ILE A 162
THR A 155
ASN A 139
PHE A 114
None
None
PRO  A 501 (-3.2A)
None
None
1.50A 3a25A-4rdcA:
2.6
3a25A-4rdcA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A51_A_VDYA6178_1
(VITAMIN D
HYDROXYLASE)
4mwt LYSOSOMAL PROTECTIVE
PROTEIN

(Homo
sapiens)
5 / 11 LEU A 387
ILE A 419
VAL A 176
PRO A 157
LEU A 174
LEU  A 387 ( 0.6A)
ILE  A 419 ( 0.6A)
VAL  A 176 ( 0.6A)
PRO  A 157 ( 1.1A)
LEU  A 174 ( 0.5A)
1.04A 3a51A-4mwtA:
undetectable
3a51A-4mwtA:
23.01
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.
3A51_B_VDYB6178_1
(VITAMIN D
HYDROXYLASE)
3r6y ASPARTASE
(Bacillus
sp.
YM55-1)
5 / 12 PRO A 330
LEU A 311
ASN A 293
VAL A 181
LEU A 197
PRO  A 330 ( 1.1A)
LEU  A 311 ( 0.6A)
ASN  A 293 ( 0.6A)
VAL  A 181 ( 0.6A)
LEU  A 197 ( 0.5A)
1.11A 3a51B-3r6yA:
undetectable
3a51B-3r6yA:
23.01
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.
3A51_D_VDYD6178_1
(VITAMIN D
HYDROXYLASE)
4mwt LYSOSOMAL PROTECTIVE
PROTEIN

(Homo
sapiens)
5 / 12 LEU A 387
ILE A 419
VAL A 176
PRO A 157
LEU A 174
LEU  A 387 ( 0.6A)
ILE  A 419 ( 0.6A)
VAL  A 176 ( 0.6A)
PRO  A 157 ( 1.1A)
LEU  A 174 ( 0.5A)
1.09A 3a51D-4mwtA:
undetectable
3a51D-4mwtA:
23.01
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.
3ABK_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
5mc5 XAA-PRO DIPEPTIDASE
(Homo
sapiens)
4 / 7 HIS A 377
ASP A 453
THR A 410
HIS A 255
GLY  A 503 ( 3.9A)
None
MN  A 499 ( 4.0A)
PRO  A 504 (-4.2A)
1.38A 3abkA-5mc5A:
undetectable
3abkC-5mc5A:
undetectable
3abkA-5mc5A:
undetectable
3abkC-5mc5A:
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.
3AG2_A_CHDA525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
5mc5 XAA-PRO DIPEPTIDASE
(Homo
sapiens)
4 / 7 HIS A 377
ASP A 453
THR A 410
HIS A 255
GLY  A 503 ( 3.9A)
None
MN  A 499 ( 4.0A)
PRO  A 504 (-4.2A)
1.39A 3ag2A-5mc5A:
undetectable
3ag2C-5mc5A:
2.3
3ag2A-5mc5A:
undetectable
3ag2C-5mc5A:
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.
3AG4_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
5mc5 XAA-PRO DIPEPTIDASE
(Homo
sapiens)
4 / 7 HIS A 377
ASP A 453
THR A 410
HIS A 255
GLY  A 503 ( 3.9A)
None
MN  A 499 ( 4.0A)
PRO  A 504 (-4.2A)
1.40A 3ag4A-5mc5A:
undetectable
3ag4C-5mc5A:
undetectable
3ag4A-5mc5A:
undetectable
3ag4C-5mc5A:
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.
3AQI_A_CHDA2_0
(FERROCHELATASE)
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis)
4 / 6 MET A  57
ARG A  90
PRO A  32
GLY A  64
VAL  A  77 ( 3.9A)
ARG  A  90 ( 0.6A)
PRO  A  32 ( 1.1A)
GLY  A  64 ( 0.0A)
1.34A 3aqiA-2nvvA:
undetectable
3aqiA-2nvvA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AQI_A_CHDA3_0
(FERROCHELATASE)
1ng0 COAT PROTEIN
(Cocksfoot
mottle
virus)
3 / 3 PRO A  92
LEU A  95
ARG A  97
PRO  A  92 ( 1.1A)
LEU  A  95 ( 0.6A)
ARG  A  97 ( 0.6A)
0.92A 3aqiA-1ng0A:
undetectable
3aqiA-1ng0A:
19.95
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.
3AQI_A_CHDA3_0
(FERROCHELATASE)
1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii)
3 / 3 PRO A  20
LEU A  57
ARG A  48
PRO  A  20 ( 1.1A)
LEU  A  57 ( 0.6A)
ARG  A  48 ( 0.6A)
0.91A 3aqiA-1wqaA:
2.7
3aqiA-1wqaA:
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.
3BJM_A_BJMA1_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
10 / 12 ARG A 106
GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
ILE  A 801 (-4.2A)
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
0.82A 3bjmA-5yp3A:
34.5
3bjmA-5yp3A:
8.39
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.
3BJM_A_BJMA1_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
10 / 12 GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
HIS A 721
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
ILE  A 801 (-4.5A)
0.44A 3bjmA-5yp3A:
34.5
3bjmA-5yp3A:
8.39
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.
3BJM_A_BJMA1_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
5 / 12 GLU A 208
TYR A 527
SER A 613
VAL A 639
TYR A 645
ILE  A 801 (-3.4A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
1.10A 3bjmA-5yp3A:
34.5
3bjmA-5yp3A:
8.39
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.
3BJM_A_BJMA1_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
5 / 12 TYR A 617
TYR A 645
ASN A 691
VAL A 692
HIS A 721
None
PRO  A 802 (-4.0A)
ILE  A 801 (-3.1A)
None
ILE  A 801 (-4.5A)
1.08A 3bjmA-5yp3A:
34.5
3bjmA-5yp3A:
8.39
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
9 / 12 ARG A 106
GLU A 208
GLU A 209
TYR A 527
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
ILE  A 801 (-4.2A)
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
0.83A 3bjmB-5yp3A:
34.2
3bjmB-5yp3A:
8.39
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
10 / 12 GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
HIS A 721
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
ILE  A 801 (-4.5A)
0.43A 3bjmB-5yp3A:
34.2
3bjmB-5yp3A:
8.39
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
5 / 12 GLU A 208
TYR A 527
SER A 613
VAL A 639
TYR A 645
ILE  A 801 (-3.4A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
1.13A 3bjmB-5yp3A:
34.2
3bjmB-5yp3A:
8.39
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.
3BJW_G_SVRG506_3
(PHOSPHOLIPASE A2)
1fgv H52 FV (LIGHT CHAIN)
(Homo
sapiens)
3 / 3 PRO L   8
PHE L  83
LYS L 103
PRO  L   8 ( 1.0A)
PHE  L  83 ( 1.3A)
LYS  L 103 ( 0.0A)
1.25A 3bjwG-1fgvL:
0.0
3bjwG-1fgvL:
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.
3D9L_A_ACTA501_0
(CTD-PEPTIDE
RNA-BINDING PROTEIN
16)
3p9w HUMAN VEGF
(Homo
sapiens)
4 / 5 ILE B  34
PRO B  52
TYR B  52
TYR B  33
ILE  B  34 ( 0.6A)
PRO  B  52 ( 1.1A)
TYR  B  52 ( 1.3A)
TYR  B  33 ( 1.3A)
0.77A 3d9lA-3p9wB:
undetectable
3d9lY-3p9wB:
undetectable
3d9lA-3p9wB:
16.90
3d9lY-3p9wB:
8.13
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.
3DGQ_A_EAAA211_1
(GLUTATHIONE
S-TRANSFERASE P)
5mc5 XAA-PRO DIPEPTIDASE
(Homo
sapiens)
4 / 5 ARG A 450
ILE A 244
TYR A 241
THR A 242
PRO  A 504 (-3.7A)
None
GLY  A 503 ( 3.6A)
None
1.31A 3dgqA-5mc5A:
undetectable
3dgqA-5mc5A:
15.35
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.
3EBZ_B_017B201_1
(PROTEASE)
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli)
5 / 11 ASP A 285
GLY A 400
ILE A 399
ILE A 365
ILE A 326
PRO  A   1 (-4.0A)
None
None
None
None
1.12A 3ebzA-3e2sA:
undetectable
3ebzA-3e2sA:
12.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_C_SAMC300_0
(PUTATIVE RRNA
METHYLASE)
4rdc AMINO ACID/AMIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, HAAT FAMILY

(Trichormus
variabilis)
5 / 12 GLY A 255
ASP A 202
ILE A 252
LEU A 282
THR A 215
None
PRO  A 501 ( 4.8A)
None
None
None
1.15A 3eeyC-4rdcA:
4.2
3eeyC-4rdcA:
21.61
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.
3EEY_E_SAME300_0
(PUTATIVE RRNA
METHYLASE)
4rdc AMINO ACID/AMIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, HAAT FAMILY

(Trichormus
variabilis)
5 / 12 GLY A 255
ASP A 202
ILE A 252
LEU A 282
THR A 215
None
PRO  A 501 ( 4.8A)
None
None
None
1.17A 3eeyE-4rdcA:
undetectable
3eeyE-4rdcA:
21.61
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.
3F8W_A_ADNA300_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
5 / 12 TYR A 527
ALA A 637
GLY A 616
ASN A 696
VAL A 692
PRO  A 802 (-4.7A)
None
None
None
None
1.17A 3f8wA-5yp3A:
undetectable
3f8wA-5yp3A:
13.60
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.
3F8W_C_ADNC302_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
5 / 12 TYR A 527
ALA A 637
GLY A 616
ASN A 696
VAL A 692
PRO  A 802 (-4.7A)
None
None
None
None
1.16A 3f8wC-5yp3A:
undetectable
3f8wC-5yp3A:
13.60
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.
3FXR_A_ASCA3001_0
(LYSR TYPE REGULATOR
OF TSAMBCD)
5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Bacillus
subtilis)
4 / 8 ARG A 168
ALA A  42
ILE A  45
PRO A 178
ARG  A 168 ( 0.6A)
ALA  A  42 ( 0.0A)
ILE  A  45 ( 0.7A)
PRO  A 178 ( 1.1A)
1.03A 3fxrA-5ep8A:
undetectable
3fxrA-5ep8A:
22.90
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.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
9 / 12 ARG A 106
GLU A 208
GLU A 209
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
ILE  A 801 (-4.2A)
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
0.94A 3g0bA-5yp3A:
37.3
3g0bA-5yp3A:
8.12
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.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
9 / 12 ARG A 106
GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
ILE  A 801 (-4.2A)
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
0.98A 3g0bA-5yp3A:
37.3
3g0bA-5yp3A:
8.12
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.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
9 / 12 GLU A 208
GLU A 209
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
HIS A 721
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
ILE  A 801 (-4.5A)
0.59A 3g0bA-5yp3A:
37.3
3g0bA-5yp3A:
8.12
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.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
9 / 12 GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
HIS A 721
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
ILE  A 801 (-4.5A)
0.74A 3g0bA-5yp3A:
37.3
3g0bA-5yp3A:
8.12
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.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
5 / 12 GLU A 208
TYR A 527
SER A 613
VAL A 639
TYR A 645
ILE  A 801 (-3.4A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
1.32A 3g0bA-5yp3A:
37.3
3g0bA-5yp3A:
8.12
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.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
6 / 12 SER A 613
TYR A 617
TYR A 645
ASN A 691
VAL A 692
HIS A 721
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
ILE  A 801 (-3.1A)
None
ILE  A 801 (-4.5A)
1.21A 3g0bA-5yp3A:
37.3
3g0bA-5yp3A:
8.12
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.
3G0B_B_T22B800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
9 / 12 ARG A 106
GLU A 208
GLU A 209
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
ILE  A 801 (-4.2A)
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
0.92A 3g0bB-5yp3A:
34.6
3g0bB-5yp3A:
8.12
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.
3G0B_B_T22B800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
9 / 12 ARG A 106
GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
ILE  A 801 (-4.2A)
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
0.96A 3g0bB-5yp3A:
34.6
3g0bB-5yp3A:
8.12
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.
3G0B_B_T22B800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
9 / 12 GLU A 208
GLU A 209
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
HIS A 721
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
ILE  A 801 (-4.5A)
0.57A 3g0bB-5yp3A:
34.6
3g0bB-5yp3A:
8.12
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.
3G0B_B_T22B800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
9 / 12 GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
HIS A 721
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
ILE  A 801 (-4.5A)
0.73A 3g0bB-5yp3A:
34.6
3g0bB-5yp3A:
8.12
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.
3G0B_B_T22B800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
5 / 12 GLU A 208
SER A 613
VAL A 639
TYR A 645
VAL A 692
ILE  A 801 (-3.4A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
None
1.33A 3g0bB-5yp3A:
34.6
3g0bB-5yp3A:
8.12
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.
3G0B_B_T22B800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
5 / 12 GLU A 208
TYR A 527
SER A 613
VAL A 639
TYR A 645
ILE  A 801 (-3.4A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
1.31A 3g0bB-5yp3A:
34.6
3g0bB-5yp3A:
8.12
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.
3G0B_B_T22B800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
5 / 12 SER A 613
TYR A 617
TYR A 645
ASN A 691
VAL A 692
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
ILE  A 801 (-3.1A)
None
1.25A 3g0bB-5yp3A:
34.6
3g0bB-5yp3A:
8.12
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.
3G0B_C_T22C800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
9 / 12 ARG A 106
GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
ILE  A 801 (-4.2A)
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
1.00A 3g0bC-5yp3A:
34.8
3g0bC-5yp3A:
8.12
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.
3G0B_C_T22C800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
8 / 12 ARG A 106
GLU A 208
GLU A 209
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
ILE  A 801 (-4.2A)
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
0.92A 3g0bC-5yp3A:
34.8
3g0bC-5yp3A:
8.12
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.
3G0B_C_T22C800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
8 / 12 GLU A 208
GLU A 209
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
HIS A 721
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
ILE  A 801 (-4.5A)
0.62A 3g0bC-5yp3A:
34.8
3g0bC-5yp3A:
8.12
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.
3G0B_C_T22C800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
8 / 12 GLU A 208
GLU A 209
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
HIS A 721
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
ILE  A 801 (-4.5A)
0.40A 3g0bC-5yp3A:
34.8
3g0bC-5yp3A:
8.12
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.
3G0B_C_T22C800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
5 / 12 GLU A 208
TYR A 527
SER A 613
VAL A 639
TYR A 645
ILE  A 801 (-3.4A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
1.32A 3g0bC-5yp3A:
34.8
3g0bC-5yp3A:
8.12
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.
3G0B_D_T22D800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
9 / 12 ARG A 106
GLU A 208
GLU A 209
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
ILE  A 801 (-4.2A)
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
0.94A 3g0bD-5yp3A:
34.7
3g0bD-5yp3A:
8.12
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.
3G0B_D_T22D800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
9 / 12 ARG A 106
GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
ILE  A 801 (-4.2A)
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
0.98A 3g0bD-5yp3A:
34.7
3g0bD-5yp3A:
8.12
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.
3G0B_D_T22D800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
9 / 12 GLU A 208
GLU A 209
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
HIS A 721
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
ILE  A 801 (-4.5A)
0.60A 3g0bD-5yp3A:
34.7
3g0bD-5yp3A:
8.12
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.
3G0B_D_T22D800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
9 / 12 GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
HIS A 721
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
ILE  A 801 (-4.5A)
0.75A 3g0bD-5yp3A:
34.7
3g0bD-5yp3A:
8.12
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.
3G0B_D_T22D800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
5 / 12 GLU A 208
SER A 613
VAL A 639
TYR A 645
VAL A 692
ILE  A 801 (-3.4A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
None
1.33A 3g0bD-5yp3A:
34.7
3g0bD-5yp3A:
8.12
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.
3G0B_D_T22D800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
5 / 12 GLU A 208
TYR A 527
SER A 613
VAL A 639
TYR A 645
ILE  A 801 (-3.4A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
1.29A 3g0bD-5yp3A:
34.7
3g0bD-5yp3A:
8.12
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.
3G0B_D_T22D800_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
6 / 12 SER A 613
TYR A 617
TYR A 645
ASN A 691
VAL A 692
HIS A 721
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
ILE  A 801 (-3.1A)
None
ILE  A 801 (-4.5A)
1.24A 3g0bD-5yp3A:
34.7
3g0bD-5yp3A:
8.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_A_ROFA901_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo
sapiens)
10 / 12 TYR A 159
HIS A 160
ASN A 321
PRO A 322
TYR A 329
TRP A 332
THR A 333
ILE A 336
MET A 357
SER A 368
TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
ASN  A 321 (-0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
TRP  A 332 ( 0.5A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
0.52A 3g4lA-3sl5A:
53.4
3g4lA-3sl5A:
98.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_A_ROFA901_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo
sapiens)
11 / 12 TYR A 159
HIS A 160
MET A 273
ASN A 321
PRO A 322
TYR A 329
TRP A 332
THR A 333
ILE A 336
SER A 368
PHE A 372
TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASN  A 321 (-0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
TRP  A 332 ( 0.5A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
SER  A 368 (-0.0A)
PHE  A 372 (-1.3A)
0.44A 3g4lA-3sl5A:
53.4
3g4lA-3sl5A:
98.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_B_ROFB902_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo
sapiens)
12 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
PRO A 322
TRP A 332
THR A 333
ILE A 336
MET A 337
MET A 357
PHE A 372
TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TRP  A 332 ( 0.5A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
MET  A 357 (-0.0A)
PHE  A 372 (-1.3A)
0.53A 3g4lB-3sl5A:
52.8
3g4lB-3sl5A:
98.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_C_ROFC903_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo
sapiens)
12 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
ASN A 321
PRO A 322
TYR A 329
TRP A 332
THR A 333
ILE A 336
MET A 357
TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
ASN  A 321 (-0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
TRP  A 332 ( 0.5A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 357 (-0.0A)
0.46A 3g4lC-3sl5A:
53.0
3g4lC-3sl5A:
98.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_D_ROFD904_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo
sapiens)
12 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
PRO A 322
TRP A 332
THR A 333
ILE A 336
MET A 337
SER A 368
GLN A 369
TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TRP  A 332 ( 0.5A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
SER  A 368 (-0.0A)
GLN  A 369 (-0.6A)
0.33A 3g4lD-3sl5A:
52.9
3g4lD-3sl5A:
98.61
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.
3H52_D_486D2_1
(GLUCOCORTICOID
RECEPTOR)
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis)
5 / 12 GLY A 134
GLN A 200
VAL A 201
MET A 168
LEU A 137
GLY  A 134 ( 0.0A)
GLN  A 200 ( 0.6A)
VAL  A 201 ( 0.6A)
PRO  A 197 ( 3.9A)
LEU  A 137 ( 0.6A)
1.48A 3h52D-2nvvA:
undetectable
3h52D-2nvvA:
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.
3HCN_A_CHDA3_0
(FERROCHELATASE,
MITOCHONDRIAL)
5ec3 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Homo
sapiens)
4 / 7 LEU A 367
PRO A 239
SER A 226
GLY A 358
LEU  A 367 ( 0.6A)
PRO  A 239 ( 1.1A)
SER  A 226 ( 0.0A)
GLY  A 358 ( 0.0A)
1.07A 3hcnA-5ec3A:
undetectable
3hcnA-5ec3A:
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.
3HCN_B_CHDB1_0
(FERROCHELATASE,
MITOCHONDRIAL)
5xlu GAMMA GLUTAMYL
TRANSPEPTIDASE

(Bacillus
licheniformis)
5 / 9 LEU A 150
PRO A 168
SER A 169
VAL A  59
GLY A  56
LEU  A 150 ( 0.6A)
PRO  A 168 ( 1.1A)
SER  A 169 ( 0.0A)
VAL  A  59 ( 0.6A)
GLY  A  56 ( 0.0A)
1.38A 3hcnB-5xluA:
undetectable
3hcnB-5xluA:
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.
3HCO_B_CHDB1_0
(FERROCHELATASE,
MITOCHONDRIAL)
3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Mycobacteroides
abscessus)
4 / 4 LEU A 125
PRO A 126
LEU A 129
ARG A 134
LEU  A 125 ( 0.6A)
PRO  A 126 ( 1.1A)
LEU  A 129 ( 0.6A)
ARG  A 134 ( 0.6A)
1.18A 3hcoB-3r9rA:
undetectable
3hcoB-3r9rA:
21.58
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.
3HCO_B_CHDB1_0
(FERROCHELATASE,
MITOCHONDRIAL)
5xlu GAMMA GLUTAMYL
TRANSPEPTIDASE

(Bacillus
licheniformis)
4 / 4 LEU A 345
PRO A 344
LEU A 348
ARG A 331
LEU  A 345 ( 0.5A)
PRO  A 344 ( 1.1A)
LEU  A 348 ( 0.5A)
ARG  A 331 ( 0.6A)
1.39A 3hcoB-5xluA:
undetectable
3hcoB-5xluA:
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.
3HEC_A_STIA1_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli)
4 / 4 LEU A 393
MET A 346
ILE A 430
ASP A 370
None
None
None
PRO  A   1 ( 3.8A)
1.14A 3hecA-3e2sA:
undetectable
3hecA-3e2sA:
21.06
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.
3HZN_G_ACTG225_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)
3sag EXOSOME COMPONENT 10
(Homo
sapiens)
3 / 3 PRO A 580
LEU A 581
GLN A 505
PRO  A 580 ( 1.1A)
LEU  A 581 ( 0.6A)
GLN  A 505 ( 0.6A)
0.69A 3hznG-3sagA:
undetectable
3hznH-3sagA:
undetectable
3hznG-3sagA:
17.87
3hznH-3sagA:
17.87
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.
3IB0_A_DIFA701_1
(LACTOTRANSFERRIN)
4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9)
4 / 4 PRO A 398
TYR A  49
GLY A  47
THR A  46
PRO  A 398 ( 1.1A)
TYR  A  49 ( 1.3A)
GLY  A  47 ( 0.0A)
THR  A  46 ( 0.8A)
1.41A 3ib0A-4kqnA:
undetectable
3ib0A-4kqnA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IB1_A_IMNA701_1
(LACTOTRANSFERRIN)
1wsv AMINOMETHYLTRANSFERA
SE

(Homo
sapiens)
4 / 4 PRO A 344
THR A 346
GLY A 317
THR A 318
PRO  A 344 ( 1.1A)
THR  A 346 ( 0.8A)
GLY  A 317 ( 0.0A)
THR  A 318 ( 0.8A)
1.14A 3ib1A-1wsvA:
undetectable
3ib1A-1wsvA:
20.76
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.
3JB2_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)
2qc5 STREPTOGRAMIN B
LACTONASE

(Staphylococcus
cohnii)
5 / 12 ASN A 138
SER A 141
GLU A 175
PRO A 137
GLU A 217
ASN  A 138 ( 0.6A)
SER  A 141 ( 0.0A)
GLU  A 175 ( 0.6A)
PRO  A 137 ( 1.1A)
GLU  A 217 ( 0.6A)
1.46A 3jb2A-2qc5A:
undetectable
3jb2A-2qc5A:
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.
3KPB_A_SAMA1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)
2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE

(Lactococcus
lactis)
5 / 12 THR A 237
VAL A 210
ILE A 276
SER A 272
PRO A 208
THR  A 237 ( 0.8A)
VAL  A 210 ( 0.6A)
ILE  A 276 ( 0.6A)
SER  A 272 ( 0.0A)
PRO  A 208 ( 1.1A)
1.24A 3kpbA-2vbfA:
undetectable
3kpbA-2vbfA:
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)
1wsv AMINOMETHYLTRANSFERA
SE

(Homo
sapiens)
5 / 12 LEU A 348
VAL A 319
VAL A 293
GLY A 335
PRO A 307
LEU  A 348 ( 0.6A)
VAL  A 319 ( 0.6A)
VAL  A 293 ( 0.6A)
GLY  A 335 ( 0.0A)
PRO  A 307 ( 1.1A)
1.22A 3mecA-1wsvA:
2.1
3mecA-1wsvA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)
4p7w L-PROLINE
CIS-4-HYDROXYLASE

(Mesorhizobium
japonicum)
4 / 8 GLU A 111
ARG A 272
ASP A  34
PHE A  35
None
None
None
PRO  A 303 (-3.5A)
1.09A 3mjrD-4p7wA:
undetectable
3mjrD-4p7wA:
22.36
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.
3ONN_A_ACTA270_0
(PROTEIN SSM1)
4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE

(Saccharomyces
cerevisiae)
4 / 5 LEU A 195
SER A 201
LEU A  94
PRO A  95
LEU  A 195 (-0.6A)
SER  A 201 ( 0.0A)
LEU  A  94 ( 0.6A)
PRO  A  95 ( 1.1A)
1.23A 3onnA-4g9kA:
undetectable
3onnA-4g9kA:
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.
3Q07_A_WPPA300_2
(BETA-LACTAMASE)
3gnr OS03G0212800 PROTEIN
(Oryza
sativa)
4 / 5 TYR A 321
PRO A 371
THR A 425
THR A 393
TYR  A 321 (-1.3A)
PRO  A 371 ( 1.1A)
THR  A 425 ( 0.8A)
THR  A 393 ( 0.8A)
1.38A 3q07A-3gnrA:
undetectable
3q07A-3gnrA:
22.06
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.
3Q07_B_WPPB400_2
(BETA-LACTAMASE)
3gnr OS03G0212800 PROTEIN
(Oryza
sativa)
4 / 5 TYR A 321
PRO A 371
THR A 425
THR A 393
TYR  A 321 (-1.3A)
PRO  A 371 ( 1.1A)
THR  A 425 ( 0.8A)
THR  A 393 ( 0.8A)
1.34A 3q07B-3gnrA:
undetectable
3q07B-3gnrA:
22.06
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.
3T3S_E_9PLE1_1
(CYTOCHROME P450 2A13)
4rdc AMINO ACID/AMIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, HAAT FAMILY

(Trichormus
variabilis)
4 / 8 ALA A 135
ASN A 154
PHE A 204
ALA A 156
None
None
PRO  A 501 (-3.4A)
PRO  A 501 ( 4.9A)
1.03A 3t3sE-4rdcA:
undetectable
3t3sE-4rdcA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TGV_C_BEZC1_0
(HEME-BINDING PROTEIN
HUTZ)
5nqf APICAL MEMBRANE
ANTIGEN 1

(Plasmodium
falciparum)
4 / 5 TYR A 117
PHE A 312
PRO A 416
LEU A 419
TYR  A 117 ( 1.3A)
PHE  A 312 ( 1.3A)
PRO  A 416 ( 1.1A)
LEU  A 419 ( 0.5A)
1.48A 3tgvC-5nqfA:
undetectable
3tgvC-5nqfA:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TGV_D_BEZD1_0
(HEME-BINDING PROTEIN
HUTZ)
5nqf APICAL MEMBRANE
ANTIGEN 1

(Plasmodium
falciparum)
4 / 6 TYR A 117
PHE A 312
PRO A 416
LEU A 419
TYR  A 117 ( 1.3A)
PHE  A 312 ( 1.3A)
PRO  A 416 ( 1.1A)
LEU  A 419 ( 0.5A)
1.34A 3tgvD-5nqfA:
undetectable
3tgvD-5nqfA:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKG_C_ROCC901_3
(PROTEASE)
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis)
3 / 3 ASP A 413
THR A 393
PRO A 394
ASP  A 413 (-0.5A)
THR  A 393 ( 0.8A)
PRO  A 394 ( 1.1A)
0.66A 3tkgD-2nvvA:
undetectable
3tkgD-2nvvA:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKG_C_ROCC901_3
(PROTEASE)
5c6d UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7

(Homo
sapiens)
3 / 3 ASP A 722
THR A 707
PRO A 708
ASP  A 722 ( 0.6A)
THR  A 707 ( 0.8A)
PRO  A 708 ( 1.1A)
0.67A 3tkgD-5c6dA:
undetectable
3tkgD-5c6dA:
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.
3TPX_E_ACTE204_0
(E3 UBIQUITIN-PROTEIN
LIGASE MDM2)
4mwt LYSOSOMAL PROTECTIVE
PROTEIN

(Homo
sapiens)
3 / 3 LYS A 435
PRO A 436
LEU A 437
LYS  A 435 ( 0.0A)
PRO  A 436 ( 1.1A)
LEU  A 437 ( 0.6A)
0.68A 3tpxE-4mwtA:
undetectable
3tpxE-4mwtA:
11.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TVX_A_PNXA902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo
sapiens)
9 / 9 TYR A 159
LEU A 319
ASN A 321
PRO A 322
THR A 333
ILE A 336
MET A 357
GLN A 369
PHE A 372
TYR  A 159 (-1.3A)
LEU  A 319 ( 0.6A)
ASN  A 321 (-0.6A)
PRO  A 322 (-1.1A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 357 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
0.46A 3tvxA-3sl5A:
51.5
3tvxA-3sl5A:
85.84
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.
3UCB_B_017B202_1
(PROTEASE)
3ghg FIBRINOGEN GAMMA
CHAIN

(Homo
sapiens)
4 / 7 LYS C 273
ARG C 275
GLY C 268
PRO C 269
LYS  C 273 ( 0.0A)
ARG  C 275 ( 0.6A)
GLY  C 268 ( 0.0A)
PRO  C 269 ( 1.1A)
1.32A 3ucbB-3ghgC:
undetectable
3ucbB-3ghgC:
12.71
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.
3UFN_A_ROCA402_1
(HIV-1 PROTEASE)
5c05 PUTATIVE
GAMMA-TERPINENE
SYNTHASE

(Thymus
vulgaris)
4 / 5 ARG A 490
LEU A 443
PRO A 437
ASP A 494
ARG  A 490 ( 0.6A)
LEU  A 443 ( 0.6A)
PRO  A 437 ( 1.1A)
ASP  A 494 ( 0.6A)
1.07A 3ufnA-5c05A:
undetectable
3ufnB-5c05A:
undetectable
3ufnA-5c05A:
10.81
3ufnB-5c05A:
10.81
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.
3UGR_A_IMNA2001_2
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
4 / 7 TYR A 492
GLN A 533
TYR A 527
TYR A 610
None
None
PRO  A 802 (-4.7A)
None
0.88A 3ugrA-5yp3A:
undetectable
3ugrA-5yp3A:
14.19
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.
3V4T_C_ACTC502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)
5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Bacillus
subtilis)
3 / 3 PRO A 105
ASP A 103
GLU A  75
PRO  A 105 ( 1.1A)
ASP  A 103 ( 0.6A)
GLU  A  75 ( 0.6A)
0.83A 3v4tC-5ep8A:
undetectable
3v4tC-5ep8A:
26.11
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.
3V8V_A_SAMA801_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)
5xlu GAMMA GLUTAMYL
TRANSPEPTIDASE

(Bacillus
licheniformis)
5 / 12 ILE A  87
THR A 224
ASN A  78
PRO A  82
LEU A 183
ILE  A  87 ( 0.6A)
THR  A 224 ( 0.8A)
ASN  A  78 ( 0.6A)
PRO  A  82 ( 1.1A)
LEU  A 183 ( 0.6A)
1.20A 3v8vA-5xluA:
undetectable
3v8vA-5xluA:
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.
3VLN_A_ASCA904_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)
3i4k MUCONATE LACTONIZING
ENZYME

(Corynebacterium
glutamicum)
4 / 6 PHE A 331
LEU A 330
PRO A 333
GLU A 306
PHE  A 331 ( 1.3A)
LEU  A 330 ( 0.6A)
PRO  A 333 ( 1.1A)
GLU  A 306 ( 0.5A)
1.39A 3vlnA-3i4kA:
undetectable
3vlnA-3i4kA:
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.
3VLN_A_ASCA904_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)
6ezy -
(-)
4 / 6 ARG A  15
PRO A  54
GLU A  65
SER A  66
ARG  A  15 ( 0.6A)
PRO  A  54 ( 1.1A)
GLU  A  65 ( 0.6A)
SER  A  66 ( 0.0A)
0.95A 3vlnA-6ezyA:
20.5
3vlnA-6ezyA:
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.
3W1W_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)
4flx DNA POLYMERASE 1
(Pyrococcus
abyssi)
3 / 3 LEU A 571
PRO A 572
LEU A 575
LEU  A 571 ( 0.5A)
PRO  A 572 ( 1.1A)
LEU  A 575 ( 0.6A)
0.46A 3w1wB-4flxA:
undetectable
3w1wB-4flxA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W2T_A_LF7A801_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
10 / 12 ARG A 106
GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
ILE  A 801 (-4.2A)
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
0.80A 3w2tA-5yp3A:
34.3
3w2tA-5yp3A:
8.19
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.
3W2T_A_LF7A801_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
10 / 12 GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
HIS A 721
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
ILE  A 801 (-4.5A)
0.33A 3w2tA-5yp3A:
34.3
3w2tA-5yp3A:
8.19
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.
3W2T_A_LF7A801_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
5 / 12 GLU A 208
TYR A 527
SER A 613
VAL A 639
TYR A 645
ILE  A 801 (-3.4A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
1.03A 3w2tA-5yp3A:
34.3
3w2tA-5yp3A:
8.19
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.
3W2T_A_LF7A801_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
5 / 12 TYR A 617
TYR A 645
ASN A 691
VAL A 692
HIS A 721
None
PRO  A 802 (-4.0A)
ILE  A 801 (-3.1A)
None
ILE  A 801 (-4.5A)
1.14A 3w2tA-5yp3A:
34.3
3w2tA-5yp3A:
8.19
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.
3W2T_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
10 / 12 ARG A 106
GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
ILE  A 801 (-4.2A)
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
0.79A 3w2tB-5yp3A:
34.6
3w2tB-5yp3A:
8.19
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.
3W2T_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
10 / 12 GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
HIS A 721
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
ILE  A 801 (-4.5A)
0.32A 3w2tB-5yp3A:
34.6
3w2tB-5yp3A:
8.19
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.
3W2T_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
5 / 12 GLU A 208
TYR A 527
SER A 613
VAL A 639
TYR A 645
ILE  A 801 (-3.4A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
1.06A 3w2tB-5yp3A:
34.6
3w2tB-5yp3A:
8.19
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.
3W2T_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
5 / 12 TYR A 617
TYR A 645
ASN A 691
VAL A 692
HIS A 721
None
PRO  A 802 (-4.0A)
ILE  A 801 (-3.1A)
None
ILE  A 801 (-4.5A)
1.13A 3w2tB-5yp3A:
34.6
3w2tB-5yp3A:
8.19
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
4 / 7 THR A1121
TYR A1127
LEU A1244
PHE A1097
PRO  A1602 (-3.5A)
None
None
None
1.29A 4awuA-5vadA:
undetectable
4awuA-5vadA:
20.89
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.
4BLV_A_SAMA1281_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)
5ve2 ENOYL-COA HYDRATASE
(Pseudoalteromona
s
atlantica)
5 / 12 LEU A 144
GLY A 105
LEU A 156
GLY A 160
PRO A 136
LEU  A 144 ( 0.6A)
GLY  A 105 ( 0.0A)
LEU  A 156 ( 0.5A)
GLY  A 160 ( 0.0A)
PRO  A 136 ( 1.1A)
1.03A 4blvA-5ve2A:
undetectable
4blvA-5ve2A:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D33_A_ACTA860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
4rdc AMINO ACID/AMIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, HAAT FAMILY

(Trichormus
variabilis)
4 / 5 GLY A 158
ILE A 159
VAL A 173
SER A 132
None
None
None
PRO  A 501 (-2.6A)
1.26A 4d33A-4rdcA:
undetectable
4d33A-4rdcA:
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.
4D33_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)
4rdc AMINO ACID/AMIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, HAAT FAMILY

(Trichormus
variabilis)
4 / 5 GLY A 158
ILE A 159
VAL A 173
SER A 132
None
None
None
PRO  A 501 (-2.6A)
1.23A 4d33B-4rdcA:
undetectable
4d33B-4rdcA:
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.
4DM8_A_REAA501_1
(RETINOIC ACID
RECEPTOR BETA)
5mc5 XAA-PRO DIPEPTIDASE
(Homo
sapiens)
5 / 11 LEU A 274
ILE A 244
SER A 286
LEU A 254
ILE A 451
None
None
None
PRO  A 504 (-4.5A)
None
1.20A 4dm8A-5mc5A:
undetectable
4dm8A-5mc5A:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DM8_A_REAA501_1
(RETINOIC ACID
RECEPTOR BETA)
5wze AMINOPEPTIDASE P
(Pseudomonas
aeruginosa)
5 / 11 LEU A 258
ILE A 232
SER A 270
LEU A 242
ILE A 407
None
None
None
PRO  A 504 ( 4.4A)
None
1.07A 4dm8A-5wzeA:
undetectable
4dm8A-5wzeA:
15.36
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.
4DUB_B_LDPB501_1
(CYTOCHROME P450 BM3
VARIANT 9D7)
3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Mycobacteroides
abscessus)
4 / 6 PHE A 289
ALA A  55
GLY A 294
PRO A 295
PHE  A 289 ( 1.3A)
ALA  A  55 ( 0.0A)
GLY  A 294 ( 0.0A)
PRO  A 295 ( 1.1A)
0.87A 4dubB-3r9rA:
undetectable
4dubB-3r9rA:
21.65
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.
4DXU_A_ACAA711_1
(LACTOTRANSFERRIN)
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli)
4 / 6 GLY A 200
VAL A 205
PRO A 172
TYR A 388
GLY  A 200 ( 0.0A)
VAL  A 205 ( 0.6A)
PRO  A 172 ( 1.1A)
TYR  A 388 ( 1.3A)
0.84A 4dxuA-3ulkA:
undetectable
4dxuA-3ulkA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1V_A_URFA1301_1
(URIDINE
PHOSPHORYLASE)
5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Bacillus
subtilis)
4 / 8 GLY A 355
ILE A 247
VAL A  87
PRO A 242
GLY  A 355 ( 0.0A)
ILE  A 247 ( 0.6A)
VAL  A  87 ( 0.6A)
PRO  A 242 ( 1.1A)
0.93A 4e1vA-5ep8A:
3.2
4e1vA-5ep8A:
20.74
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.
4E1V_B_URFB1301_1
(URIDINE
PHOSPHORYLASE)
5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Bacillus
subtilis)
4 / 7 GLY A 355
ILE A 247
VAL A  87
PRO A 242
GLY  A 355 ( 0.0A)
ILE  A 247 ( 0.6A)
VAL  A  87 ( 0.6A)
PRO  A 242 ( 1.1A)
0.92A 4e1vB-5ep8A:
3.0
4e1vB-5ep8A:
20.74
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.
4E1V_C_URFC1301_1
(URIDINE
PHOSPHORYLASE)
5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Bacillus
subtilis)
4 / 8 GLY A 355
ILE A 247
VAL A  87
PRO A 242
GLY  A 355 ( 0.0A)
ILE  A 247 ( 0.6A)
VAL  A  87 ( 0.6A)
PRO  A 242 ( 1.1A)
0.92A 4e1vC-5ep8A:
3.1
4e1vC-5ep8A:
20.74
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.
4E1V_D_URFD1301_1
(URIDINE
PHOSPHORYLASE)
5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Bacillus
subtilis)
4 / 8 GLY A 355
ILE A 247
VAL A  87
PRO A 242
GLY  A 355 ( 0.0A)
ILE  A 247 ( 0.6A)
VAL  A  87 ( 0.6A)
PRO  A 242 ( 1.1A)
0.93A 4e1vD-5ep8A:
3.1
4e1vD-5ep8A:
20.74
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.
4E1V_E_URFE1301_1
(URIDINE
PHOSPHORYLASE)
5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Bacillus
subtilis)
4 / 8 GLY A 355
ILE A 247
VAL A  87
PRO A 242
GLY  A 355 ( 0.0A)
ILE  A 247 ( 0.6A)
VAL  A  87 ( 0.6A)
PRO  A 242 ( 1.1A)
0.96A 4e1vE-5ep8A:
3.2
4e1vE-5ep8A:
20.74
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.
4E1V_G_URFG1301_1
(URIDINE
PHOSPHORYLASE)
5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Bacillus
subtilis)
4 / 8 GLY A 355
ILE A 247
VAL A  87
PRO A 242
GLY  A 355 ( 0.0A)
ILE  A 247 ( 0.6A)
VAL  A  87 ( 0.6A)
PRO  A 242 ( 1.1A)
0.94A 4e1vG-5ep8A:
3.0
4e1vG-5ep8A:
20.74
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.
4E1V_H_URFH1301_1
(URIDINE
PHOSPHORYLASE)
5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Bacillus
subtilis)
4 / 8 GLY A 355
ILE A 247
VAL A  87
PRO A 242
GLY  A 355 ( 0.0A)
ILE  A 247 ( 0.6A)
VAL  A  87 ( 0.6A)
PRO  A 242 ( 1.1A)
0.90A 4e1vH-5ep8A:
3.3
4e1vH-5ep8A:
20.74
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.
4EY7_B_E20B605_1
(ACETYLCHOLINESTERASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
5 / 11 TRP A1169
TYR A1193
GLU A1123
SER A1272
HIS A1173
None
None
PRO  A1602 (-2.8A)
PRO  A1602 (-3.3A)
PRO  A1602 ( 4.5A)
1.48A 4ey7B-5vadA:
undetectable
4ey7B-5vadA:
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.
4F4D_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)
3gnr OS03G0212800 PROTEIN
(Oryza
sativa)
4 / 4 LEU A 135
PRO A 136
LEU A 139
ILE A 151
LEU  A 135 ( 0.6A)
PRO  A 136 ( 1.1A)
LEU  A 139 ( 0.6A)
ILE  A 151 ( 0.4A)
0.86A 4f4dB-3gnrA:
undetectable
4f4dB-3gnrA:
21.30
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.
4F4D_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)
5wo6 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 6

(Rattus
norvegicus)
4 / 4 LEU A 167
PRO A 166
LEU A 182
ILE A 183
LEU  A 167 ( 0.6A)
PRO  A 166 ( 1.1A)
LEU  A 182 ( 0.6A)
ILE  A 183 ( 0.7A)
0.98A 4f4dB-5wo6A:
undetectable
4f4dB-5wo6A:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
9 / 12 ARG A 106
GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
ASN A 691
VAL A 692
ILE  A 801 (-4.2A)
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
ILE  A 801 (-3.1A)
None
0.86A 4ffwA-5yp3A:
35.5
4ffwA-5yp3A:
7.88
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.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
9 / 12 GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
ASN A 691
VAL A 692
HIS A 721
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
ILE  A 801 (-3.1A)
None
ILE  A 801 (-4.5A)
0.47A 4ffwA-5yp3A:
35.5
4ffwA-5yp3A:
7.88
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.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
5 / 12 GLU A 208
TYR A 527
SER A 613
VAL A 639
TYR A 645
ILE  A 801 (-3.4A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
1.13A 4ffwA-5yp3A:
35.5
4ffwA-5yp3A:
7.88
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
10 / 12 ARG A 106
GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
TYR A 649
VAL A 692
HIS A 721
ILE  A 801 (-4.2A)
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
None
ILE  A 801 (-4.5A)
0.66A 4ffwB-5yp3A:
36.5
4ffwB-5yp3A:
7.88
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
5 / 12 GLU A 208
TYR A 527
SER A 613
VAL A 639
TYR A 645
ILE  A 801 (-3.4A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
1.06A 4ffwB-5yp3A:
36.5
4ffwB-5yp3A:
7.88
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5gpr CHITINASE
(Ostrinia
furnacalis)
4 / 6 PHE A 286
ILE A 185
PRO A 186
PHE A 274
PHE  A 286 ( 1.3A)
ILE  A 185 ( 0.7A)
PRO  A 186 ( 1.1A)
PHE  A 274 ( 1.3A)
1.11A 4fgkA-5gprA:
undetectable
4fgkA-5gprA:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FIM_A_CELA711_1
(LACTOTRANSFERRIN)
4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9)
5 / 9 GLY A 425
VAL A 400
PRO A 398
TYR A  49
GLY A  47
GLY  A 425 ( 0.0A)
VAL  A 400 ( 0.6A)
PRO  A 398 ( 1.1A)
TYR  A  49 ( 1.3A)
GLY  A  47 ( 0.0A)
1.26A 4fimA-4kqnA:
undetectable
4fimA-4kqnA:
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.
4G19_A_ACTA304_0
(GLUTATHIONE
TRANSFERASE GTE1)
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli)
4 / 5 ILE A 328
LEU A 330
LYS A 329
ASN A 368
None
None
PRO  A   1 (-2.8A)
None
1.08A 4g19A-3e2sA:
undetectable
4g19A-3e2sA:
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.
4G5J_A_0WMA1102_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3bpo INTERLEUKIN-13
RECEPTOR ALPHA-1
CHAIN

(Homo
sapiens)
4 / 7 PHE C 183
TYR C 158
ILE C 213
PRO C 148
PHE  C 183 ( 1.3A)
TYR  C 158 ( 1.3A)
ILE  C 213 ( 0.6A)
PRO  C 148 ( 1.1A)
0.78A 4g5jA-3bpoC:
undetectable
4g5jA-3bpoC:
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.
4G5J_A_0WMA1102_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4non FERROUS IRON UPTAKE
TRANSPORTER PROTEIN
B

(Streptococcus
thermophilus)
4 / 7 PHE A 250
TYR A 172
ILE A 201
PRO A 170
PHE  A 250 ( 1.3A)
TYR  A 172 ( 1.3A)
ILE  A 201 ( 0.7A)
PRO  A 170 ( 1.1A)
0.98A 4g5jA-4nonA:
undetectable
4g5jA-4nonA:
24.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HVC_A_HFGA1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
9 / 12 GLU A1100
VAL A1101
TRP A1169
GLU A1171
HIS A1173
PHE A1216
THR A1240
SER A1272
GLY A1274
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.87A 4hvcA-5vadA:
54.1
4hvcA-5vadA:
98.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HVC_A_HFGA1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
5 / 12 GLU A1154
PHE A1216
THR A1240
SER A1272
GLY A1274
91Y  A1601 (-4.6A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.84A 4hvcA-5vadA:
54.1
4hvcA-5vadA:
98.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HVC_A_HFGA1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
9 / 12 VAL A1101
PRO A1120
TRP A1169
GLU A1171
HIS A1173
PHE A1216
THR A1240
SER A1272
GLY A1274
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.64A 4hvcA-5vadA:
54.1
4hvcA-5vadA:
98.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HVC_A_HFGA1602_1
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
4 / 4 THR A1121
GLU A1123
ARG A1152
HIS A1242
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
PRO  A1602 ( 3.4A)
PRO  A1602 (-4.1A)
0.45A 4hvcA-5vadA:
54.1
4hvcA-5vadA:
98.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HVC_B_HFGB1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
5 / 12 GLU A1154
PHE A1216
THR A1240
SER A1272
GLY A1274
91Y  A1601 (-4.6A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.94A 4hvcB-5vadA:
54.2
4hvcB-5vadA:
98.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HVC_B_HFGB1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
10 / 12 LEU A1087
GLU A1100
VAL A1101
PRO A1120
GLU A1171
HIS A1173
PHE A1216
THR A1240
SER A1272
GLY A1274
None
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.86A 4hvcB-5vadA:
54.2
4hvcB-5vadA:
98.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HVC_B_HFGB1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
10 / 12 LEU A1087
GLU A1100
VAL A1101
PRO A1120
TRP A1169
GLU A1171
HIS A1173
THR A1240
SER A1272
GLY A1274
None
None
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.66A 4hvcB-5vadA:
54.2
4hvcB-5vadA:
98.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HVC_B_HFGB1602_1
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
4 / 5 THR A1121
GLU A1123
ARG A1152
HIS A1242
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
PRO  A1602 ( 3.4A)
PRO  A1602 (-4.1A)
0.40A 4hvcB-5vadA:
54.2
4hvcB-5vadA:
98.46
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.
4HVR_A_SALA203_1
(3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE)
1wly 2-HALOACRYLATE
REDUCTASE

(Burkholderia
sp.
WS)
4 / 7 GLU A  19
HIS A   8
PRO A  61
VAL A  21
GLU  A  19 ( 0.6A)
HIS  A   8 ( 1.0A)
PRO  A  61 ( 1.1A)
VAL  A  21 ( 0.6A)
1.03A 4hvrA-1wlyA:
undetectable
4hvrA-1wlyA:
16.62
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.
4IV0_A_SAMA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)
5mc5 XAA-PRO DIPEPTIDASE
(Homo
sapiens)
5 / 12 GLY A 447
ILE A 418
ARG A 265
SER A 251
LEU A 254
None
None
None
None
PRO  A 504 (-4.5A)
1.05A 4iv0A-5mc5A:
undetectable
4iv0A-5mc5A:
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.
4J4V_A_SVRA301_1
(NUCLEOCAPSID PROTEIN)
3i4k MUCONATE LACTONIZING
ENZYME

(Corynebacterium
glutamicum)
5 / 11 GLY A 310
GLN A 316
PRO A 333
PHE A 345
ILE A 341
GLY  A 310 ( 0.0A)
GLN  A 316 ( 0.6A)
PRO  A 333 ( 1.1A)
PHE  A 345 ( 1.3A)
ILE  A 341 ( 0.3A)
1.13A 4j4vA-3i4kA:
undetectable
4j4vA-3i4kA:
21.29
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.
4J4V_A_SVRA301_1
(NUCLEOCAPSID PROTEIN)
5hxk ZINC-DEPENDENT
PEPTIDASE

(Thermus
thermophilus)
5 / 11 GLY A 188
ALA A 353
VAL A 186
PRO A  91
PHE A  89
GLY  A 188 ( 0.0A)
ALA  A 353 ( 0.0A)
VAL  A 186 ( 0.6A)
PRO  A  91 ( 1.1A)
PHE  A  89 ( 1.3A)
1.48A 4j4vA-5hxkA:
undetectable
4j4vA-5hxkA:
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.
4J4V_B_SVRB301_1
(NUCLEOCAPSID PROTEIN)
5hxk ZINC-DEPENDENT
PEPTIDASE

(Thermus
thermophilus)
5 / 10 GLY A 188
ALA A 353
VAL A 186
PRO A  91
PHE A  89
GLY  A 188 ( 0.0A)
ALA  A 353 ( 0.0A)
VAL  A 186 ( 0.6A)
PRO  A  91 ( 1.1A)
PHE  A  89 ( 1.3A)
1.44A 4j4vB-5hxkA:
0.7
4j4vB-5hxkA:
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.
4J4V_C_SVRC301_1
(NUCLEOCAPSID PROTEIN)
4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS

(Bacillus
subtilis)
4 / 8 GLY A 318
ASN A 321
ARG A 337
PRO A  17
GLY  A 318 ( 0.0A)
ASN  A 321 ( 0.6A)
ARG  A 337 ( 0.6A)
PRO  A  17 ( 1.0A)
0.94A 4j4vC-4yzrA:
2.5
4j4vC-4yzrA:
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.
4J4V_D_SVRD301_1
(NUCLEOCAPSID PROTEIN)
3i4k MUCONATE LACTONIZING
ENZYME

(Corynebacterium
glutamicum)
5 / 11 ALA A 119
GLN A 316
PRO A 333
PHE A 345
ILE A 341
ALA  A 119 ( 0.0A)
GLN  A 316 ( 0.6A)
PRO  A 333 ( 1.1A)
PHE  A 345 ( 1.3A)
ILE  A 341 ( 0.3A)
1.43A 4j4vD-3i4kA:
undetectable
4j4vE-3i4kA:
undetectable
4j4vD-3i4kA:
21.29
4j4vE-3i4kA:
21.29
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.
4J4V_D_SVRD301_1
(NUCLEOCAPSID PROTEIN)
3i4k MUCONATE LACTONIZING
ENZYME

(Corynebacterium
glutamicum)
5 / 11 GLY A 310
GLN A 316
PRO A 333
PHE A 345
ILE A 341
GLY  A 310 ( 0.0A)
GLN  A 316 ( 0.6A)
PRO  A 333 ( 1.1A)
PHE  A 345 ( 1.3A)
ILE  A 341 ( 0.3A)
1.27A 4j4vD-3i4kA:
undetectable
4j4vE-3i4kA:
undetectable
4j4vD-3i4kA:
21.29
4j4vE-3i4kA:
21.29
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.
4J4V_E_SVRE301_1
(NUCLEOCAPSID PROTEIN)
5hxk ZINC-DEPENDENT
PEPTIDASE

(Thermus
thermophilus)
5 / 10 GLY A 188
ALA A 353
VAL A 186
PRO A  91
PHE A  89
GLY  A 188 ( 0.0A)
ALA  A 353 ( 0.0A)
VAL  A 186 ( 0.6A)
PRO  A  91 ( 1.1A)
PHE  A  89 ( 1.3A)
1.47A 4j4vA-5hxkA:
undetectable
4j4vE-5hxkA:
0.0
4j4vA-5hxkA:
22.25
4j4vE-5hxkA:
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.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)
4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9)
4 / 5 GLU A 185
ARG A 212
PRO A 289
SER A 241
GLU  A 185 ( 0.5A)
ARG  A 212 ( 0.6A)
PRO  A 289 ( 1.1A)
SER  A 241 ( 0.0A)
1.38A 4k17B-4kqnA:
undetectable
4k17B-4kqnA:
20.96
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.
4K7G_B_ACTB902_0
(3-HYDROXYPROLINE
DEHYDRATSE)
5wpi HSVA
(Erwinia
amylovora)
4 / 7 ASP A  36
PRO A  96
HIS A 101
SER A  99
ASP  A  36 ( 0.6A)
PRO  A  96 ( 1.1A)
HIS  A 101 ( 1.0A)
SER  A  99 ( 0.0A)
1.16A 4k7gB-5wpiA:
undetectable
4k7gB-5wpiA:
23.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K87_A_ADNA602_1
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
5 / 8 ARG A1152
PHE A1167
GLN A1237
GLY A1238
THR A1276
PRO  A1602 ( 3.4A)
91Y  A1601 (-3.8A)
91Y  A1601 (-4.1A)
None
91Y  A1601 (-3.0A)
1.21A 4k87A-5vadA:
54.9
4k87A-5vadA:
96.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K87_A_ADNA602_1
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
7 / 8 ARG A1152
PHE A1167
GLN A1237
GLY A1239
THR A1240
THR A1276
ARG A1278
PRO  A1602 ( 3.4A)
91Y  A1601 (-3.8A)
91Y  A1601 (-4.1A)
91Y  A1601 ( 4.1A)
91Y  A1601 (-4.2A)
91Y  A1601 (-3.0A)
91Y  A1601 (-3.4A)
0.35A 4k87A-5vadA:
54.9
4k87A-5vadA:
96.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K88_A_HFGA602_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
7 / 12 GLU A1154
PRO A1120
GLU A1123
GLU A1171
PHE A1216
HIS A1242
SER A1272
91Y  A1601 (-4.6A)
None
PRO  A1602 (-2.8A)
PRO  A1602 ( 4.7A)
PRO  A1602 (-4.3A)
PRO  A1602 (-4.1A)
PRO  A1602 (-3.3A)
1.05A 4k88A-5vadA:
51.8
4k88A-5vadA:
96.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K88_A_HFGA602_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
9 / 12 GLU A1154
PRO A1120
THR A1121
GLU A1123
ARG A1152
TRP A1169
GLU A1171
HIS A1242
SER A1272
91Y  A1601 (-4.6A)
None
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 (-4.1A)
PRO  A1602 (-3.3A)
0.94A 4k88A-5vadA:
51.8
4k88A-5vadA:
96.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K88_A_HFGA602_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
7 / 12 VAL A1101
PRO A1120
GLU A1123
GLU A1171
PHE A1216
HIS A1242
SER A1272
None
None
PRO  A1602 (-2.8A)
PRO  A1602 ( 4.7A)
PRO  A1602 (-4.3A)
PRO  A1602 (-4.1A)
PRO  A1602 (-3.3A)
0.83A 4k88A-5vadA:
51.8
4k88A-5vadA:
96.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K88_A_HFGA602_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
9 / 12 VAL A1101
PRO A1120
THR A1121
GLU A1123
ARG A1152
TRP A1169
GLU A1171
HIS A1242
SER A1272
None
None
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 (-4.1A)
PRO  A1602 (-3.3A)
0.64A 4k88A-5vadA:
51.8
4k88A-5vadA:
96.63
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.
4KF9_A_ACTA408_0
(GLUTATHIONE
S-TRANSFERASE
PROTEIN)
3i4k MUCONATE LACTONIZING
ENZYME

(Corynebacterium
glutamicum)
4 / 6 TYR A 340
THR A 339
PRO A 333
PHE A 345
TYR  A 340 ( 1.3A)
THR  A 339 ( 0.8A)
PRO  A 333 ( 1.1A)
PHE  A 345 ( 1.3A)
1.30A 4kf9A-3i4kA:
undetectable
4kf9A-3i4kA:
25.85
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.
4KLR_A_CHDA505_0
(FERROCHELATASE,
MITOCHONDRIAL)
5wpi HSVA
(Erwinia
amylovora)
4 / 5 LEU A 354
PRO A 121
LEU A 125
ILE A 132
LEU  A 354 ( 0.6A)
PRO  A 121 ( 1.1A)
LEU  A 125 ( 0.5A)
ILE  A 132 ( 0.6A)
0.92A 4klrA-5wpiA:
undetectable
4klrA-5wpiA:
23.35
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.
4KLR_A_CHDA505_0
(FERROCHELATASE,
MITOCHONDRIAL)
6ezy -
(-)
4 / 5 LEU A 110
PRO A 109
LEU A 113
ILE A 179
LEU  A 110 ( 0.6A)
PRO  A 109 ( 1.1A)
LEU  A 113 ( 0.6A)
ILE  A 179 ( 0.7A)
0.84A 4klrA-6ezyA:
undetectable
4klrA-6ezyA:
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.
4KLR_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)
5ec3 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Homo
sapiens)
4 / 8 LEU A 367
PRO A 239
SER A 226
GLY A 358
LEU  A 367 ( 0.6A)
PRO  A 239 ( 1.1A)
SER  A 226 ( 0.0A)
GLY  A 358 ( 0.0A)
0.94A 4klrB-5ec3A:
undetectable
4klrB-5ec3A:
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.
4KLR_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)
1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H

(Streptomyces
plicatus)
3 / 3 LEU A  79
PRO A  78
ARG A 269
LEU  A  79 ( 0.6A)
PRO  A  78 ( 1.1A)
ARG  A 269 ( 0.6A)
0.66A 4klrB-1c8xA:
undetectable
4klrB-1c8xA:
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.
4KMM_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)
3icc PUTATIVE
3-OXOACYL-(ACYL
CARRIER PROTEIN)
REDUCTASE

(Bacillus
anthracis)
4 / 5 LEU A 200
ARG A 217
PRO A 188
SER A 145
LEU  A 200 ( 0.6A)
ARG  A 217 ( 0.6A)
PRO  A 188 (-1.1A)
SER  A 145 (-0.0A)
1.31A 4kmmB-3iccA:
3.4
4kmmB-3iccA:
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.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)
1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F)
5 / 12 PRO A 372
TYR A 324
GLY A 346
ASN A 326
MET A 345
PRO  A 372 ( 1.1A)
TYR  A 324 ( 1.3A)
GLY  A 346 ( 0.0A)
ASN  A 326 ( 0.6A)
MET  A 345 ( 0.0A)
1.34A 4kosA-1v0fA:
undetectable
4kosA-1v0fA:
12.37
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.
4KOV_A_KOVA204_1
(UNCHARACTERIZED
PROTEIN)
1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F)
5 / 12 PRO A 372
TYR A 324
GLY A 346
ASN A 326
MET A 345
PRO  A 372 ( 1.1A)
TYR  A 324 ( 1.3A)
GLY  A 346 ( 0.0A)
ASN  A 326 ( 0.6A)
MET  A 345 ( 0.0A)
1.36A 4kovA-1v0fA:
undetectable
4kovA-1v0fA:
12.37
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.
4KOW_A_CFXA204_1
(UNCHARACTERIZED
PROTEIN)
1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F)
5 / 12 PRO A 372
TYR A 324
GLY A 346
ASN A 326
MET A 345
PRO  A 372 ( 1.1A)
TYR  A 324 ( 1.3A)
GLY  A 346 ( 0.0A)
ASN  A 326 ( 0.6A)
MET  A 345 ( 0.0A)
1.34A 4kowA-1v0fA:
0.0
4kowA-1v0fA:
12.37
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.
4KOX_A_CLSA205_1
(UNCHARACTERIZED
PROTEIN)
1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F)
5 / 11 PRO A 372
TYR A 324
GLY A 346
ASN A 326
MET A 345
PRO  A 372 ( 1.1A)
TYR  A 324 ( 1.3A)
GLY  A 346 ( 0.0A)
ASN  A 326 ( 0.6A)
MET  A 345 ( 0.0A)
1.38A 4koxA-1v0fA:
0.0
4koxA-1v0fA:
12.37
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.
4KOY_A_CSCA214_1
(UNCHARACTERIZED
PROTEIN)
1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F)
5 / 11 PRO A 372
TYR A 324
GLY A 346
ASN A 326
MET A 345
PRO  A 372 ( 1.1A)
TYR  A 324 ( 1.3A)
GLY  A 346 ( 0.0A)
ASN  A 326 ( 0.6A)
MET  A 345 ( 0.0A)
1.37A 4koyA-1v0fA:
undetectable
4koyA-1v0fA:
12.37
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN

(Chaetomium
thermophilum)
5 / 12 LEU A 432
PRO A 442
ALA A 394
LEU A 405
GLY A 409
LEU  A 432 ( 0.6A)
PRO  A 442 ( 1.1A)
ALA  A 394 ( 0.0A)
LEU  A 405 ( 0.5A)
GLY  A 409 ( 0.0A)
1.23A 4l9qB-5hiuA:
undetectable
4l9qB-5hiuA:
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.
4LB2_A_DM5A601_1
(SERUM ALBUMIN)
4egs RIBOSE 5-PHOSPHATE
ISOMERASE RPIB

(Caldanaerobacter
subterraneus)
4 / 7 LEU A 125
VAL A 127
PRO A 120
GLU A  53
LEU  A 125 ( 0.6A)
VAL  A 127 ( 0.6A)
PRO  A 120 ( 1.1A)
GLU  A  53 ( 0.6A)
1.03A 4lb2A-4egsA:
undetectable
4lb2A-4egsA:
15.11
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.
4LUH_A_ACTA608_0
(SERUM ALBUMIN)
1wly 2-HALOACRYLATE
REDUCTASE

(Burkholderia
sp.
WS)
4 / 4 PRO A 113
ASP A 115
LEU A 116
ARG A  87
PRO  A 113 ( 1.1A)
ASP  A 115 ( 0.5A)
LEU  A 116 ( 0.6A)
ARG  A  87 ( 0.6A)
1.42A 4luhA-1wlyA:
0.0
4luhA-1wlyA:
19.24
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.
4M2X_G_TMQG202_1
(DIHYDROFOLATE
REDUCTASE)
5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4

(Homo
sapiens)
6 / 12 ASP A  87
GLN A  91
PRO A 463
VAL A 461
ILE A 104
THR A 335
ASP  A  87 ( 0.5A)
GLN  A  91 ( 0.6A)
PRO  A 463 ( 1.1A)
VAL  A 461 ( 0.6A)
ILE  A 104 ( 0.6A)
THR  A 335 ( 0.8A)
1.21A 4m2xG-5nksA:
undetectable
4m2xG-5nksA:
13.74
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.
4MK4_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli)
4 / 8 PRO A 154
SER A 131
VAL A 152
GLY A 158
PRO  A 154 (-1.1A)
SER  A 131 (-0.0A)
VAL  A 152 ( 0.6A)
GLY  A 158 ( 0.0A)
0.96A 4mk4A-3ulkA:
2.9
4mk4A-3ulkA:
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.
4MMB_A_SREA603_1
(TRANSPORTER)
3h7a SHORT CHAIN
DEHYDROGENASE

(Rhodopseudomonas
palustris)
5 / 9 PRO A 214
VAL A 217
ALA A 218
TYR A 221
GLY A  18
PRO  A 214 ( 1.1A)
VAL  A 217 ( 0.6A)
ALA  A 218 ( 0.0A)
TYR  A 221 ( 1.3A)
GLY  A  18 ( 0.0A)
1.05A 4mmbA-3h7aA:
undetectable
4mmbA-3h7aA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)
3h7a SHORT CHAIN
DEHYDROGENASE

(Rhodopseudomonas
palustris)
5 / 12 PRO A 214
VAL A 217
ALA A 218
TYR A 221
GLY A  18
PRO  A 214 ( 1.1A)
VAL  A 217 ( 0.6A)
ALA  A 218 ( 0.0A)
TYR  A 221 ( 1.3A)
GLY  A  18 ( 0.0A)
0.89A 4mmdB-3h7aA:
undetectable
4mmdB-3h7aA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MUB_A_OAQA302_0
(SULFOTRANSFERASE)
5xlu GAMMA GLUTAMYL
TRANSPEPTIDASE

(Bacillus
licheniformis)
5 / 12 PRO A 338
VAL A 343
GLY A 373
ASP A 330
PHE A 293
PRO  A 338 ( 1.1A)
VAL  A 343 ( 0.5A)
GLY  A 373 ( 0.0A)
ASP  A 330 ( 0.5A)
PHE  A 293 ( 1.3A)
1.45A 4mubA-5xluA:
undetectable
4mubA-5xluA:
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.
4MWZ_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)
5mc5 XAA-PRO DIPEPTIDASE
(Homo
sapiens)
5 / 12 GLY A 447
ILE A 418
ARG A 265
SER A 251
LEU A 254
None
None
None
None
PRO  A 504 (-4.5A)
1.13A 4mwzA-5mc5A:
undetectable
4mwzA-5mc5A:
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.
4MWZ_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)
5mc5 XAA-PRO DIPEPTIDASE
(Homo
sapiens)
5 / 12 GLY A 447
ILE A 418
ARG A 265
SER A 251
LEU A 254
None
None
None
None
PRO  A 504 (-4.5A)
1.05A 4mwzB-5mc5A:
undetectable
4mwzB-5mc5A:
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.
4O8Z_A_BBIA402_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)
3o96 RAC-ALPHA
SERINE/THREONINE-PRO
TEIN KINASE

(Homo
sapiens)
4 / 5 PHE A 408
PHE A 407
LEU A 384
PRO A 348
PHE  A 408 ( 1.3A)
PHE  A 407 ( 1.3A)
LEU  A 384 ( 0.6A)
PRO  A 348 ( 1.1A)
1.23A 4o8zA-3o96A:
undetectable
4o8zA-3o96A:
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.
4ODR_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA)
5hfi UNCHARACTERIZED
PROTEIN, CYTOSOLIC
DISULFIDE REDUCTASE
DSBM

(Pseudomonas
aeruginosa)
5 / 11 PRO A  95
TYR A  10
LEU A  37
LEU A  24
ILE A 127
PRO  A  95 ( 1.1A)
TYR  A  10 ( 1.3A)
LEU  A  37 ( 0.5A)
LEU  A  24 ( 0.6A)
ILE  A 127 ( 0.7A)
1.09A 4odrA-5hfiA:
undetectable
4odrB-5hfiA:
undetectable
4odrA-5hfiA:
18.49
4odrB-5hfiA:
18.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OLF_A_HFGA802_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
10 / 12 GLU A1100
VAL A1101
TRP A1169
GLU A1171
HIS A1173
PHE A1216
THR A1240
SER A1272
TRP A1273
GLY A1274
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
None
PRO  A1602 (-3.7A)
0.74A 4olfA-5vadA:
49.5
4olfA-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OLF_A_HFGA802_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
7 / 12 GLU A1154
TRP A1169
PHE A1216
THR A1240
SER A1272
TRP A1273
GLY A1274
91Y  A1601 (-4.6A)
None
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
None
PRO  A1602 (-3.7A)
0.89A 4olfA-5vadA:
49.5
4olfA-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OLF_A_HFGA802_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
10 / 12 VAL A1101
PRO A1120
TRP A1169
GLU A1171
HIS A1173
PHE A1216
THR A1240
SER A1272
TRP A1273
GLY A1274
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
None
PRO  A1602 (-3.7A)
0.56A 4olfA-5vadA:
49.5
4olfA-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OLF_A_HFGA802_1
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
4 / 4 THR A1121
GLU A1123
ARG A1152
HIS A1242
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
PRO  A1602 ( 3.4A)
PRO  A1602 (-4.1A)
0.51A 4olfA-5vadA:
49.5
4olfA-5vadA:
50.87
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.
4PEV_B_ADNB501_1
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)
4rdc AMINO ACID/AMIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, HAAT FAMILY

(Trichormus
variabilis)
5 / 12 VAL A 287
SER A 332
PHE A 331
GLY A 281
ASP A 280
None
GOL  A 503 ( 3.9A)
PRO  A 501 (-4.3A)
PRO  A 501 ( 4.6A)
PRO  A 501 (-3.7A)
1.20A 4pevB-4rdcA:
10.5
4pevB-4rdcA:
24.56
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.
4PEV_B_ADNB501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)
1ryn PROTEIN CRS2
(Zea
mays)
3 / 3 PRO A  99
LEU A  98
GLN A 192
PRO  A  99 ( 1.1A)
LEU  A  98 ( 0.5A)
GLN  A 192 ( 0.6A)
0.53A 4pevB-1rynA:
5.0
4pevB-1rynA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PEV_B_ADNB501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)
4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA

(Homo
sapiens)
3 / 3 PRO A 283
LEU A 282
GLN A 289
PRO  A 283 ( 1.1A)
LEU  A 282 ( 0.6A)
GLN  A 289 ( 0.6A)
0.58A 4pevB-4hneA:
undetectable
4pevB-4hneA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q15_A_HFGA803_0
(PROLINE--TRNA LIGASE)
3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE

(Citrus
x
microcarpa)
5 / 12 PRO A 196
THR A 197
ARG A  94
SER A 208
GLY A 200
PRO  A 196 ( 1.1A)
THR  A 197 ( 0.8A)
ARG  A  94 ( 0.6A)
SER  A 208 ( 0.0A)
GLY  A 200 ( 0.0A)
1.32A 4q15A-3wd7A:
undetectable
4q15A-3wd7A:
22.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q15_A_HFGA803_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
10 / 12 LEU A1087
GLU A1100
VAL A1101
PRO A1120
THR A1121
ARG A1152
TRP A1169
HIS A1173
SER A1272
GLY A1274
None
None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.5A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.78A 4q15A-5vadA:
48.5
4q15A-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q15_A_HFGA803_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
9 / 12 LEU A1087
GLU A1100
VAL A1101
PRO A1120
TRP A1169
HIS A1173
PHE A1216
SER A1272
GLY A1274
None
None
None
None
None
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.95A 4q15A-5vadA:
48.5
4q15A-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q15_A_HFGA803_1
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
3 / 3 GLU A1123
THR A1240
HIS A1242
PRO  A1602 (-2.8A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
0.45A 4q15A-5vadA:
48.5
4q15A-5vadA:
50.87
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.
4Q15_B_HFGB803_0
(PROLINE--TRNA LIGASE)
3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE

(Citrus
x
microcarpa)
5 / 12 PRO A 196
THR A 197
ARG A  94
SER A 208
GLY A 200
PRO  A 196 ( 1.1A)
THR  A 197 ( 0.8A)
ARG  A  94 ( 0.6A)
SER  A 208 ( 0.0A)
GLY  A 200 ( 0.0A)
1.32A 4q15B-3wd7A:
undetectable
4q15B-3wd7A:
22.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q15_B_HFGB803_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
9 / 12 LEU A1087
GLU A1100
VAL A1101
PRO A1120
THR A1121
ARG A1152
TRP A1169
GLU A1171
GLY A1274
None
None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 (-3.7A)
0.74A 4q15B-5vadA:
48.5
4q15B-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q15_B_HFGB803_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
8 / 12 LEU A1087
GLU A1100
VAL A1101
PRO A1120
TRP A1169
GLU A1171
PHE A1216
GLY A1274
None
None
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 (-4.3A)
PRO  A1602 (-3.7A)
0.95A 4q15B-5vadA:
48.5
4q15B-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q15_B_HFGB803_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
9 / 12 LEU A1087
VAL A1101
PRO A1120
THR A1121
ARG A1152
TRP A1169
GLU A1171
SER A1272
GLY A1274
None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.56A 4q15B-5vadA:
48.5
4q15B-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q15_B_HFGB803_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
8 / 12 LEU A1087
VAL A1101
PRO A1120
TRP A1169
GLU A1171
PHE A1216
SER A1272
GLY A1274
None
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 (-4.3A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.76A 4q15B-5vadA:
48.5
4q15B-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q15_B_HFGB803_1
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
3 / 3 GLU A1123
THR A1240
HIS A1242
PRO  A1602 (-2.8A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
0.50A 4q15B-5vadA:
48.5
4q15B-5vadA:
50.87
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.
4QN9_B_DXCB610_0
(N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D)
1wly 2-HALOACRYLATE
REDUCTASE

(Burkholderia
sp.
WS)
3 / 3 GLY A  12
PRO A  13
ALA A 311
GLY  A  12 ( 0.0A)
PRO  A  13 ( 1.1A)
ALA  A 311 ( 0.0A)
0.53A 4qn9B-1wlyA:
undetectable
4qn9B-1wlyA:
18.98
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.
4QWP_B_GCSB305_1
(CHITOSANASE)
4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN

(Mycolicibacteriu
m
fortuitum)
3 / 3 GLY A  89
PRO A  88
GLN A  93
GLY  A  89 ( 0.0A)
PRO  A  88 ( 1.1A)
GLN  A  93 ( 0.6A)
0.52A 4qwpB-4w65A:
undetectable
4qwpB-4w65A:
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.
4UAC_A_ACRA501_2
(CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-))
4mwt LYSOSOMAL PROTECTIVE
PROTEIN

(Homo
sapiens)
4 / 7 PRO A 432
GLU A 149
ASP A  78
THR A 311
PRO  A 432 ( 1.1A)
GLU  A 149 ( 0.5A)
ASP  A  78 ( 0.6A)
THR  A 311 ( 0.8A)
1.26A 4uacA-4mwtA:
undetectable
4uacA-4mwtA:
22.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIL_H_QI9H1223_0
(FAB 314.1)
1fgv H52 FV (HEAVY CHAIN)
H52 FV (LIGHT CHAIN)

(Homo
sapiens;
Homo
sapiens)
8 / 12 HIS H  35
GLY H 101
PHE H 111
GLN L  89
GLN L  90
GLY L  91
LEU L  94
PRO L  96
HIS  H  35 ( 1.0A)
GLY  H 101 ( 0.0A)
PHE  H 111 ( 1.3A)
GLN  L  89 ( 0.6A)
GLN  L  90 ( 0.6A)
GLY  L  91 ( 0.0A)
LEU  L  94 ( 0.6A)
PRO  L  96 ( 1.1A)
0.85A 4uilH-1fgvH:
20.2
4uilL-1fgvH:
5.2
4uilH-1fgvH:
53.23
4uilL-1fgvH:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIL_H_QI9H1223_0
(FAB 314.1)
1fgv H52 FV (HEAVY CHAIN)
H52 FV (LIGHT CHAIN)

(Homo
sapiens;
Homo
sapiens)
8 / 12 HIS H  35
SER H  59
PHE H 111
GLN L  89
GLN L  90
GLY L  91
LEU L  94
PRO L  96
HIS  H  35 ( 1.0A)
SER  H  59 ( 0.0A)
PHE  H 111 ( 1.3A)
GLN  L  89 ( 0.6A)
GLN  L  90 ( 0.6A)
GLY  L  91 ( 0.0A)
LEU  L  94 ( 0.6A)
PRO  L  96 ( 1.1A)
1.00A 4uilH-1fgvH:
20.2
4uilL-1fgvH:
5.2
4uilH-1fgvH:
53.23
4uilL-1fgvH:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIN_H_QI9H1226_0
(FAB 314.3)
1fgv H52 FV (HEAVY CHAIN)
H52 FV (LIGHT CHAIN)

(Homo
sapiens;
Homo
sapiens)
6 / 12 HIS H  35
GLY H 101
PHE H 111
GLY L  91
LEU L  94
PRO L  96
HIS  H  35 ( 1.0A)
GLY  H 101 ( 0.0A)
PHE  H 111 ( 1.3A)
GLY  L  91 ( 0.0A)
LEU  L  94 ( 0.6A)
PRO  L  96 ( 1.1A)
0.84A 4uinH-1fgvH:
21.2
4uinL-1fgvH:
13.6
4uinH-1fgvH:
52.42
4uinL-1fgvH:
20.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIN_H_QI9H1226_0
(FAB 314.3)
1fgv H52 FV (HEAVY CHAIN)
H52 FV (LIGHT CHAIN)

(Homo
sapiens;
Homo
sapiens)
6 / 12 HIS H  35
TRP H  47
PHE H 111
GLY L  91
LEU L  94
PRO L  96
HIS  H  35 ( 1.0A)
TRP  H  47 ( 0.4A)
PHE  H 111 ( 1.3A)
GLY  L  91 ( 0.0A)
LEU  L  94 ( 0.6A)
PRO  L  96 ( 1.1A)
0.73A 4uinH-1fgvH:
21.2
4uinL-1fgvH:
13.6
4uinH-1fgvH:
52.42
4uinL-1fgvH:
20.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIN_H_QI9H1226_0
(FAB 314.3)
1fgv H52 FV (HEAVY CHAIN)
H52 FV (LIGHT CHAIN)

(Homo
sapiens;
Homo
sapiens)
6 / 12 TRP H  47
SER H  59
PHE H 111
GLY L  91
LEU L  94
PRO L  96
TRP  H  47 ( 0.4A)
SER  H  59 ( 0.0A)
PHE  H 111 ( 1.3A)
GLY  L  91 ( 0.0A)
LEU  L  94 ( 0.6A)
PRO  L  96 ( 1.1A)
0.91A 4uinH-1fgvH:
21.2
4uinL-1fgvH:
13.6
4uinH-1fgvH:
52.42
4uinL-1fgvH:
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.
4URO_B_NOVB2000_1
(DNA GYRASE SUBUNIT B)
4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE

(Saccharomyces
cerevisiae)
5 / 12 SER A  83
GLU A 128
PRO A 345
ILE A 347
SER A 174
SER  A  83 (-0.0A)
GLU  A 128 (-0.5A)
PRO  A 345 ( 1.1A)
ILE  A 347 ( 0.7A)
SER  A 174 ( 0.0A)
1.31A 4uroB-4g9kA:
undetectable
4uroB-4g9kA:
21.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YDQ_A_HFGA802_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
5 / 12 GLU A1154
ARG A1152
TRP A1169
SER A1272
GLY A1274
91Y  A1601 (-4.6A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
1.12A 4ydqA-5vadA:
49.2
4ydqA-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YDQ_A_HFGA802_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
6 / 12 LEU A1087
GLU A1100
VAL A1101
ARG A1152
GLU A1171
GLY A1274
None
None
None
PRO  A1602 ( 3.4A)
PRO  A1602 ( 4.7A)
PRO  A1602 (-3.7A)
0.87A 4ydqA-5vadA:
49.2
4ydqA-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YDQ_A_HFGA802_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
6 / 12 LEU A1087
GLU A1100
VAL A1101
ARG A1152
TRP A1169
GLY A1274
None
None
None
PRO  A1602 ( 3.4A)
None
PRO  A1602 (-3.7A)
1.06A 4ydqA-5vadA:
49.2
4ydqA-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YDQ_A_HFGA802_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
5 / 12 LEU A1087
PHE A1097
VAL A1101
PHE A1216
GLY A1172
None
None
None
PRO  A1602 (-4.3A)
None
1.30A 4ydqA-5vadA:
49.2
4ydqA-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YDQ_A_HFGA802_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
8 / 12 LEU A1087
VAL A1101
PRO A1120
ARG A1152
GLU A1171
HIS A1173
SER A1272
GLY A1274
None
None
None
PRO  A1602 ( 3.4A)
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.61A 4ydqA-5vadA:
49.2
4ydqA-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YDQ_A_HFGA802_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
7 / 12 LEU A1087
VAL A1101
PRO A1120
ARG A1152
TRP A1169
SER A1272
GLY A1274
None
None
None
PRO  A1602 ( 3.4A)
None
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.86A 4ydqA-5vadA:
49.2
4ydqA-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YDQ_A_HFGA802_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
8 / 12 LEU A1087
VAL A1101
PRO A1120
GLU A1171
HIS A1173
PHE A1216
SER A1272
GLY A1274
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.76A 4ydqA-5vadA:
49.2
4ydqA-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YDQ_A_HFGA802_1
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
4 / 4 THR A1121
GLU A1123
THR A1240
HIS A1242
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
0.54A 4ydqA-5vadA:
49.2
4ydqA-5vadA:
50.87
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.
4YDQ_B_HFGB802_0
(PROLINE--TRNA LIGASE)
3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE

(Citrus
x
microcarpa)
5 / 12 PRO A 196
THR A 197
ARG A  94
SER A 208
GLY A 200
PRO  A 196 ( 1.1A)
THR  A 197 ( 0.8A)
ARG  A  94 ( 0.6A)
SER  A 208 ( 0.0A)
GLY  A 200 ( 0.0A)
1.29A 4ydqB-3wd7A:
undetectable
4ydqB-3wd7A:
21.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YDQ_B_HFGB802_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
5 / 12 GLU A1154
ARG A1152
TRP A1169
SER A1272
GLY A1274
91Y  A1601 (-4.6A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
1.12A 4ydqB-5vadA:
49.2
4ydqB-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YDQ_B_HFGB802_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
8 / 12 VAL A1101
PRO A1120
THR A1121
ARG A1152
GLU A1171
HIS A1173
SER A1272
GLY A1274
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.49A 4ydqB-5vadA:
49.2
4ydqB-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YDQ_B_HFGB802_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
8 / 12 VAL A1101
PRO A1120
THR A1121
ARG A1152
TRP A1169
HIS A1173
SER A1272
GLY A1274
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.5A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.79A 4ydqB-5vadA:
49.2
4ydqB-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YDQ_B_HFGB802_0
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
8 / 12 VAL A1101
PRO A1120
THR A1121
GLU A1171
HIS A1173
PHE A1216
SER A1272
GLY A1274
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.69A 4ydqB-5vadA:
49.2
4ydqB-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YDQ_B_HFGB802_1
(PROLINE--TRNA LIGASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
3 / 3 GLU A1123
THR A1240
HIS A1242
PRO  A1602 (-2.8A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
0.40A 4ydqB-5vadA:
49.2
4ydqB-5vadA:
50.87
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.
4YOA_A_017A100_1
(HIV-1 PROTEASE)
2an1 PUTATIVE KINASE
(Salmonella
enterica)
4 / 6 ASP A 264
THR A 183
PRO A 184
THR A 185
ASP  A 264 ( 0.6A)
THR  A 183 ( 0.8A)
PRO  A 184 ( 1.1A)
THR  A 185 ( 0.8A)
1.14A 4yoaA-2an1A:
undetectable
4yoaA-2an1A:
17.81
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.
4YV5_A_SVRA205_2
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)
3s6f HYPOTHETICAL
ACETYLTRANSFERASE

(Deinococcus
radiodurans)
4 / 6 LEU A  66
ASN A  64
PRO A  76
ARG A 134
LEU  A  66 ( 0.5A)
ASN  A  64 ( 0.6A)
PRO  A  76 ( 1.1A)
ARG  A 134 ( 0.6A)
1.27A 4yv5B-3s6fA:
undetectable
4yv5B-3s6fA:
18.00
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.
4YV5_B_SVRB207_1
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)
3s6f HYPOTHETICAL
ACETYLTRANSFERASE

(Deinococcus
radiodurans)
4 / 6 LEU A  66
ASN A  64
PRO A  76
ARG A 134
LEU  A  66 ( 0.5A)
ASN  A  64 ( 0.6A)
PRO  A  76 ( 1.1A)
ARG  A 134 ( 0.6A)
1.27A 4yv5A-3s6fA:
undetectable
4yv5A-3s6fA:
18.00
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.
4ZJ8_A_SUVA2001_2
(HUMAN OX1R FUSION
PROTEIN TO P.ABYSII
GLYCOGEN SYNTHASE)
5wpi HSVA
(Erwinia
amylovora)
4 / 6 TRP A 279
PRO A 256
ILE A 128
VAL A  20
TRP  A 279 ( 0.5A)
PRO  A 256 ( 1.1A)
ILE  A 128 ( 0.7A)
VAL  A  20 ( 0.6A)
0.94A 4zj8A-5wpiA:
undetectable
4zj8A-5wpiA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_1
(ANTI-TICAGRELOR FAB
72, HEAVY CHAIN
ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis)
5 / 9 ILE A  93
THR A  98
TYR A 100
PRO A  82
ASP A 102
ILE  A  93 ( 0.7A)
THR  A  98 ( 0.8A)
TYR  A 100 ( 1.3A)
PRO  A  82 ( 1.1A)
ASP  A 102 ( 0.6A)
1.50A 5alcH-2nvvA:
0.0
5alcH-2nvvA:
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.
5B6I_A_ADNA302_1
(FLUORINASE)
4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN

(Mycolicibacteriu
m
fortuitum)
4 / 7 ASP A 270
TYR A 267
PRO A 268
THR A 266
ASP  A 270 ( 0.5A)
TYR  A 267 ( 1.3A)
PRO  A 268 ( 1.1A)
THR  A 266 ( 0.8A)
1.28A 5b6iA-4w65A:
undetectable
5b6iA-4w65A:
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.
5C0O_E_SAME301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)
3r64 NAD DEPENDENT
BENZALDEHYDE
DEHYDROGENASE

(Corynebacterium
glutamicum)
5 / 12 ALA A  62
PRO A 205
GLY A  18
GLY A 207
ALA A  54
ALA  A  62 ( 0.0A)
PRO  A 205 ( 1.1A)
GLY  A  18 ( 0.0A)
GLY  A 207 ( 0.0A)
ALA  A  54 ( 0.0A)
1.14A 5c0oE-3r64A:
4.3
5c0oE-3r64A:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CSY_B_ACRB601_2
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)
4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9)
4 / 5 TYR A 210
HIS A 208
LEU A 291
PRO A 214
TYR  A 210 ( 1.3A)
HIS  A 208 ( 1.0A)
LEU  A 291 ( 0.6A)
PRO  A 214 ( 1.1A)
1.18A 5csyB-4kqnA:
3.6
5csyB-4kqnA:
21.70
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.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis)
5 / 12 PRO A  36
GLY A  22
PHE A  23
ASP A  68
LEU A  71
PRO  A  36 ( 1.1A)
GLY  A  22 ( 0.0A)
PHE  A  23 ( 1.3A)
ASP  A  68 ( 0.5A)
LEU  A  71 ( 0.6A)
1.24A 5eeiA-2nvvA:
undetectable
5eeiA-2nvvA:
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.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis)
5 / 12 PRO A  36
GLY A  22
PHE A  23
ASP A  68
LEU A  71
PRO  A  36 ( 1.1A)
GLY  A  22 ( 0.0A)
PHE  A  23 ( 1.3A)
ASP  A  68 ( 0.5A)
LEU  A  71 ( 0.6A)
1.23A 5eeiB-2nvvA:
2.1
5eeiB-2nvvA:
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.
5ESH_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
3cbt PHOSPHATASE SC4828
(Streptomyces
coelicolor)
4 / 5 TRP A 130
LEU A  58
PRO A 204
LEU A 138
TRP  A 130 (-0.5A)
LEU  A  58 ( 0.6A)
PRO  A 204 (-1.1A)
LEU  A 138 ( 0.6A)
1.36A 5eshA-3cbtA:
undetectable
5eshA-3cbtA:
17.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F9Z_A_HFGA702_0
(AMINOACYL-TRNA
SYNTHETASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
9 / 12 LEU A1087
GLU A1100
VAL A1101
ARG A1152
TRP A1169
GLU A1171
PHE A1216
SER A1272
GLY A1274
None
None
None
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 (-4.3A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.93A 5f9zA-5vadA:
47.9
5f9zA-5vadA:
54.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F9Z_A_HFGA702_0
(AMINOACYL-TRNA
SYNTHETASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
9 / 12 LEU A1087
VAL A1101
PRO A1120
ARG A1152
TRP A1169
GLU A1171
PHE A1216
SER A1272
GLY A1274
None
None
None
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 (-4.3A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.72A 5f9zA-5vadA:
47.9
5f9zA-5vadA:
54.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F9Z_A_HFGA702_1
(AMINOACYL-TRNA
SYNTHETASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
4 / 4 THR A1121
GLU A1123
THR A1240
HIS A1242
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
0.52A 5f9zA-5vadA:
47.9
5f9zA-5vadA:
54.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F9Z_B_HFGB703_0
(AMINOACYL-TRNA
SYNTHETASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
9 / 12 LEU A1087
GLU A1100
VAL A1101
PRO A1120
ARG A1152
TRP A1169
GLU A1171
SER A1272
GLY A1274
None
None
None
None
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.77A 5f9zB-5vadA:
48.4
5f9zB-5vadA:
54.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F9Z_B_HFGB703_0
(AMINOACYL-TRNA
SYNTHETASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
8 / 12 LEU A1087
VAL A1101
PRO A1120
TRP A1169
GLU A1171
PHE A1216
SER A1272
GLY A1274
None
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 (-4.3A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.72A 5f9zB-5vadA:
48.4
5f9zB-5vadA:
54.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F9Z_B_HFGB703_1
(AMINOACYL-TRNA
SYNTHETASE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
4 / 4 THR A1121
GLU A1123
THR A1240
HIS A1242
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
0.52A 5f9zB-5vadA:
48.4
5f9zB-5vadA:
54.32
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.
5FCT_B_C2FB402_1
(THYMIDYLATE SYNTHASE)
3ijl MUCONATE
CYCLOISOMERASE

(Bacteroides
thetaiotaomicron)
3 / 3 ASN A 226
ASP A 348
GLY A 325
MG  A 386 ( 4.6A)
PRO  A 384 (-3.4A)
None
0.67A 5fctB-3ijlA:
undetectable
5fctB-3ijlA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FSA_B_X2NB590_2
(CYP51 VARIANT1)
2hk0 D-PSICOSE
3-EPIMERASE

(Agrobacterium
tumefaciens)
3 / 3 PRO A  68
LEU A 147
SER A 110
PRO  A  68 ( 1.1A)
LEU  A 147 ( 0.6A)
SER  A 110 ( 0.0A)
0.65A 5fsaB-2hk0A:
undetectable
5fsaB-2hk0A:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HBS_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
4 / 8 LEU A 622
LEU A 561
THR A 534
TYR A 527
None
None
None
PRO  A 802 (-4.7A)
1.18A 5hbsA-5yp3A:
undetectable
5hbsA-5yp3A:
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)
1gc7 RADIXIN
(Mus
musculus)
4 / 5 PRO A 154
LEU A 234
TYR A 201
PHE A  85
PRO  A 154 ( 1.1A)
LEU  A 234 ( 0.6A)
TYR  A 201 ( 1.3A)
PHE  A  85 ( 1.3A)
1.26A 5igjA-1gc7A:
undetectable
5igjA-1gc7A:
23.92
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.
5IGT_A_ERYA402_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)
5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Bacillus
subtilis)
5 / 12 PRO A 242
VAL A 411
ALA A 340
VAL A 395
GLY A 344
PRO  A 242 ( 1.1A)
VAL  A 411 ( 0.6A)
ALA  A 340 ( 0.0A)
VAL  A 395 ( 0.5A)
GLY  A 344 ( 0.0A)
1.03A 5igtA-5ep8A:
undetectable
5igtA-5ep8A:
23.58
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.
5IL1_A_SAMA601_0
(METTL3)
2rci TYPE-2BA CYTOLYTIC
DELTA-ENDOTOXIN

(Bacillus
thuringiensis)
5 / 12 ILE A  83
PRO A 188
LEU A 220
PHE A  64
GLY A  66
ILE  A  83 ( 0.7A)
PRO  A 188 ( 1.1A)
LEU  A 220 ( 0.6A)
PHE  A  64 ( 1.3A)
GLY  A  66 ( 0.0A)
0.91A 5il1A-2rciA:
undetectable
5il1A-2rciA:
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.
5JGL_A_SAMA301_0
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)
4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE

(Saccharomyces
cerevisiae)
5 / 12 ALA A 385
ALA A 387
ALA A 175
GLY A 382
PRO A 390
ALA  A 385 ( 0.0A)
ALA  A 387 ( 0.0A)
ALA  A 175 (-0.0A)
GLY  A 382 (-0.0A)
PRO  A 390 ( 1.1A)
1.46A 5jglA-4g9kA:
3.9
5jglA-4g9kA:
20.74
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.
5JGL_B_SAMB301_0
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)
4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE

(Saccharomyces
cerevisiae)
5 / 12 ALA A 385
ALA A 387
ALA A 175
GLY A 382
PRO A 390
ALA  A 385 ( 0.0A)
ALA  A 387 ( 0.0A)
ALA  A 175 (-0.0A)
GLY  A 382 (-0.0A)
PRO  A 390 ( 1.1A)
1.45A 5jglB-4g9kA:
3.0
5jglB-4g9kA:
20.74
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.
5JO9_A_SORA302_0
(RIBITOL
2-DEHYDROGENASE)
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50

(Geobacillus
stearothermophil
us)
5 / 12 TYR A 138
LEU A 226
GLY A 276
PRO A 277
LEU A 225
TYR  A 138 ( 1.3A)
LEU  A 226 ( 0.6A)
GLY  A 276 ( 0.0A)
PRO  A 277 ( 1.1A)
LEU  A 225 ( 0.6A)
1.32A 5jo9A-2ogsA:
3.9
5jo9A-2ogsA:
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.
5K7U_A_SAMA601_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis)
5 / 12 ILE A 358
PRO A 469
LEU A 460
PHE A 359
HIS A 417
ILE  A 358 ( 0.7A)
PRO  A 469 ( 1.1A)
LEU  A 460 ( 0.6A)
PHE  A 359 ( 1.3A)
HIS  A 417 (-1.0A)
1.34A 5k7uA-2nvvA:
undetectable
5k7uA-2nvvA:
17.75
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.
5K7U_A_SAMA601_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)
2rci TYPE-2BA CYTOLYTIC
DELTA-ENDOTOXIN

(Bacillus
thuringiensis)
5 / 12 ILE A  83
PRO A 188
LEU A 220
PHE A  64
GLY A  66
ILE  A  83 ( 0.7A)
PRO  A 188 ( 1.1A)
LEU  A 220 ( 0.6A)
PHE  A  64 ( 1.3A)
GLY  A  66 ( 0.0A)
0.90A 5k7uA-2rciA:
undetectable
5k7uA-2rciA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L1F_C_6ZPC902_1
(GLUTAMATE RECEPTOR 2)
4zke SUPERKILLER PROTEIN
7

(Saccharomyces
cerevisiae)
4 / 7 ASP A 376
PRO A 377
TYR A 380
ASN A 728
ASP  A 376 ( 0.6A)
PRO  A 377 ( 1.1A)
TYR  A 380 ( 1.3A)
ASN  A 728 ( 0.6A)
1.02A 5l1fC-4zkeA:
4.6
5l1fC-4zkeA:
20.03
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.
5L1F_D_6ZPD902_1
(GLUTAMATE RECEPTOR 2)
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50

(Geobacillus
stearothermophil
us)
5 / 10 SER A  81
ASP A  83
PRO A  33
LEU A  85
SER A 114
SER  A  81 ( 0.0A)
ASP  A  83 ( 0.6A)
PRO  A  33 ( 1.1A)
LEU  A  85 ( 0.6A)
SER  A 114 ( 0.0A)
1.49A 5l1fD-2ogsA:
2.7
5l1fD-2ogsA:
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.
5L6E_A_SAMA601_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)
2rci TYPE-2BA CYTOLYTIC
DELTA-ENDOTOXIN

(Bacillus
thuringiensis)
5 / 12 ILE A  83
PRO A 188
LEU A 220
PHE A  64
GLY A  66
ILE  A  83 ( 0.7A)
PRO  A 188 ( 1.1A)
LEU  A 220 ( 0.6A)
PHE  A  64 ( 1.3A)
GLY  A  66 ( 0.0A)
0.92A 5l6eA-2rciA:
undetectable
5l6eA-2rciA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L8D_B_ACTB601_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)
3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Mycobacteroides
abscessus)
3 / 3 THR A 181
PRO A 138
ASP A 136
THR  A 181 ( 0.8A)
PRO  A 138 ( 1.1A)
ASP  A 136 ( 0.6A)
0.91A 5l8dB-3r9rA:
undetectable
5l8dB-3r9rA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M45_A_ACTA803_0
(ACETONE CARBOXYLASE
ALPHA SUBUNIT)
1zlm OSTEOCLAST
STIMULATING FACTOR 1

(Homo
sapiens)
4 / 4 GLU A  30
PRO A  62
ILE A  61
LEU A  60
GLU  A  30 ( 0.6A)
PRO  A  62 ( 1.1A)
ILE  A  61 ( 0.5A)
LEU  A  60 ( 0.6A)
1.17A 5m45A-1zlmA:
undetectable
5m45A-1zlmA:
6.98
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.
5M45_D_ACTD803_0
(ACETONE CARBOXYLASE
ALPHA SUBUNIT)
1zlm OSTEOCLAST
STIMULATING FACTOR 1

(Homo
sapiens)
4 / 4 GLU A  30
PRO A  62
ILE A  61
LEU A  60
GLU  A  30 ( 0.6A)
PRO  A  62 ( 1.1A)
ILE  A  61 ( 0.5A)
LEU  A  60 ( 0.6A)
1.21A 5m45D-1zlmA:
undetectable
5m45D-1zlmA:
6.98
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.
5M45_G_ACTG803_0
(ACETONE CARBOXYLASE
ALPHA SUBUNIT)
1zlm OSTEOCLAST
STIMULATING FACTOR 1

(Homo
sapiens)
4 / 4 GLU A  30
PRO A  62
ILE A  61
LEU A  60
GLU  A  30 ( 0.6A)
PRO  A  62 ( 1.1A)
ILE  A  61 ( 0.5A)
LEU  A  60 ( 0.6A)
1.15A 5m45G-1zlmA:
undetectable
5m45G-1zlmA:
6.98
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.
5M45_J_ACTJ803_0
(ACETONE CARBOXYLASE
ALPHA SUBUNIT)
1zlm OSTEOCLAST
STIMULATING FACTOR 1

(Homo
sapiens)
4 / 4 GLU A  30
PRO A  62
ILE A  61
LEU A  60
GLU  A  30 ( 0.6A)
PRO  A  62 ( 1.1A)
ILE  A  61 ( 0.5A)
LEU  A  60 ( 0.6A)
1.20A 5m45J-1zlmA:
undetectable
5m45J-1zlmA:
6.98
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.
5MUR_B_PFLB407_1
(PROTON-GATED ION
CHANNEL)
4cgu PROTEIN INTERACTING
WITH HSP90 1

(Saccharomyces
cerevisiae)
4 / 7 PRO B 299
ILE B 329
ILE B 342
ILE B 316
PRO  B 299 ( 1.1A)
ILE  B 329 ( 0.7A)
ILE  B 342 ( 0.6A)
ILE  B 316 ( 0.7A)
0.94A 5murB-4cguB:
undetectable
5murB-4cguB:
19.42
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.
5MWU_B_ACTB601_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)
3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Mycobacteroides
abscessus)
3 / 3 THR A 181
PRO A 138
ASP A 136
THR  A 181 ( 0.8A)
PRO  A 138 ( 1.1A)
ASP  A 136 ( 0.6A)
0.91A 5mwuB-3r9rA:
undetectable
5mwuB-3r9rA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MZR_A_PFLA412_1
(PROTON-GATED ION
CHANNEL)
5wpi HSVA
(Erwinia
amylovora)
5 / 10 PRO A 273
ILE A 212
MET A 207
VAL A 262
ILE A 366
PRO  A 273 ( 1.1A)
ILE  A 212 ( 0.6A)
MET  A 207 ( 0.0A)
VAL  A 262 ( 0.6A)
ILE  A 366 ( 0.7A)
1.40A 5mzrA-5wpiA:
undetectable
5mzrA-5wpiA:
14.32
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.
5MZR_C_PFLC409_1
(PROTON-GATED ION
CHANNEL)
5wpi HSVA
(Erwinia
amylovora)
5 / 10 PRO A 273
ILE A 212
MET A 207
VAL A 262
ILE A 366
PRO  A 273 ( 1.1A)
ILE  A 212 ( 0.6A)
MET  A 207 ( 0.0A)
VAL  A 262 ( 0.6A)
ILE  A 366 ( 0.7A)
1.40A 5mzrC-5wpiA:
undetectable
5mzrC-5wpiA:
14.32
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.
5MZR_D_PFLD410_1
(PROTON-GATED ION
CHANNEL)
5wpi HSVA
(Erwinia
amylovora)
5 / 9 PRO A 273
ILE A 212
MET A 207
VAL A 262
ILE A 366
PRO  A 273 ( 1.1A)
ILE  A 212 ( 0.6A)
MET  A 207 ( 0.0A)
VAL  A 262 ( 0.6A)
ILE  A 366 ( 0.7A)
1.42A 5mzrD-5wpiA:
undetectable
5mzrD-5wpiA:
14.32
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.
5NFJ_B_SAMB501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)
3cmm UBIQUITIN-ACTIVATING
ENZYME E1 1

(Saccharomyces
cerevisiae)
5 / 12 LEU A 347
ILE A 348
ASP A 316
LEU A 394
LEU A 397
None
None
PRO  A5119 (-3.7A)
None
None
1.02A 5nfjB-3cmmA:
2.5
5nfjB-3cmmA:
11.64
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.
5NFJ_C_SAMC501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)
3cmm UBIQUITIN-ACTIVATING
ENZYME E1 1

(Saccharomyces
cerevisiae)
5 / 12 LEU A 347
ILE A 348
ASP A 316
LEU A 394
LEU A 397
None
None
PRO  A5119 (-3.7A)
None
None
1.02A 5nfjC-3cmmA:
2.9
5nfjC-3cmmA:
11.64
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.
5NY7_A_NCAA303_0
(AMIDASE)
3r64 NAD DEPENDENT
BENZALDEHYDE
DEHYDROGENASE

(Corynebacterium
glutamicum)
4 / 6 GLY A 334
PRO A 335
THR A 103
SER A 327
GLY  A 334 ( 0.0A)
PRO  A 335 ( 1.1A)
THR  A 103 ( 0.8A)
SER  A 327 ( 0.0A)
1.13A 5ny7A-3r64A:
undetectable
5ny7A-3r64A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5O96_A_SAMA501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)
1ryn PROTEIN CRS2
(Zea
mays)
5 / 11 LEU A 105
PRO A 131
LEU A 133
THR A 175
ALA A 172
LEU  A 105 ( 0.6A)
PRO  A 131 ( 1.1A)
LEU  A 133 ( 0.6A)
THR  A 175 ( 0.8A)
ALA  A 172 ( 0.0A)
1.06A 5o96A-1rynA:
undetectable
5o96B-1rynA:
2.1
5o96A-1rynA:
22.13
5o96B-1rynA:
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.
5OG9_A_TESA503_1
(-)
5cdn DNA GYRASE SUBUNIT A
(Staphylococcus
aureus)
5 / 9 LEU A 209
VAL A 195
LEU A 198
ILE A 346
PRO A 165
LEU  A 209 ( 0.6A)
VAL  A 195 ( 0.6A)
LEU  A 198 ( 0.6A)
ILE  A 346 ( 0.6A)
PRO  A 165 ( 1.1A)
1.38A 5og9A-5cdnA:
3.6
5og9A-5cdnA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5PBE_A_TYLA2001_1
(BROMODOMAIN ADJACENT
TO ZINC FINGER
DOMAIN PROTEIN 2B)
4jbe GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE

(Saccharomonospor
a
viridis)
4 / 6 PRO A 129
VAL A 133
VAL A 165
ILE A  75
PRO  A 129 ( 1.1A)
VAL  A 133 ( 0.6A)
VAL  A 165 ( 0.6A)
ILE  A  75 ( 0.7A)
0.91A 5pbeA-4jbeA:
undetectable
5pbeA-4jbeA:
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.
5TIW_B_OAQB302_0
(SULFOTRANSFERASE)
3i4k MUCONATE LACTONIZING
ENZYME

(Corynebacterium
glutamicum)
5 / 12 PRO A 177
ILE A 199
ASP A 180
ILE A 240
THR A 244
PRO  A 177 ( 1.1A)
ILE  A 199 ( 0.4A)
ASP  A 180 ( 0.5A)
ILE  A 240 ( 0.6A)
THR  A 244 ( 0.8A)
1.27A 5tiwB-3i4kA:
undetectable
5tiwB-3i4kA:
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.
5UMD_A_YMZA3801_1
(60S RIBOSOMAL
PROTEIN L28
28S RIBOSOMAL RNA
60S RIBOSOMAL
PROTEIN L4)
4ki5 MURINE MONOCLONAL
G99 FAB HEAVY CHAIN

(Mus
musculus)
4 / 6 ASN E  77
ALA E  24
PRO E  53
TYR E  27
ASN  E  77 ( 0.6A)
ALA  E  24 ( 0.0A)
PRO  E  53 ( 1.1A)
TYR  E  27 ( 1.3A)
1.05A 5umd2-4ki5E:
undetectable
5umdF-4ki5E:
undetectable
5umd2-4ki5E:
17.39
5umdF-4ki5E:
16.52
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.
5VKQ_A_PCFA1805_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50

(Geobacillus
stearothermophil
us)
4 / 7 VAL A 279
HIS A 287
PRO A 288
ILE A 289
VAL  A 279 ( 0.6A)
HIS  A 287 ( 1.0A)
PRO  A 288 ( 1.1A)
ILE  A 289 ( 0.7A)
1.01A 5vkqA-2ogsA:
undetectable
5vkqD-2ogsA:
undetectable
5vkqA-2ogsA:
14.51
5vkqD-2ogsA:
14.51
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.
5VKQ_B_PCFB1802_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)
6gef TYPE IV SECRETION
SYSTEM PROTEIN DOTB

(Yersinia
pseudotuberculos
is)
4 / 7 SER A 181
THR A 178
PRO A 140
ILE A 139
SER  A 181 ( 0.0A)
THR  A 178 ( 0.8A)
PRO  A 140 ( 1.1A)
ILE  A 139 ( 0.7A)
1.23A 5vkqA-6gefA:
undetectable
5vkqB-6gefA:
undetectable
5vkqA-6gefA:
undetectable
5vkqB-6gefA:
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.
5VKQ_D_PCFD1803_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)
6gef TYPE IV SECRETION
SYSTEM PROTEIN DOTB

(Yersinia
pseudotuberculos
is)
4 / 7 SER A 181
THR A 178
PRO A 140
ILE A 139
SER  A 181 ( 0.0A)
THR  A 178 ( 0.8A)
PRO  A 140 ( 1.1A)
ILE  A 139 ( 0.7A)
1.22A 5vkqC-6gefA:
undetectable
5vkqD-6gefA:
undetectable
5vkqC-6gefA:
undetectable
5vkqD-6gefA:
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.
5WWS_B_SAMB501_0
(PUTATIVE
METHYLTRANSFERASE
NSUN6)
1txu RAB5 GDP/GTP
EXCHANGE FACTOR

(Homo
sapiens)
5 / 12 PRO A 329
ASP A 235
LYS A 234
ILE A 238
ASP A 230
PRO  A 329 ( 1.1A)
ASP  A 235 ( 0.5A)
LYS  A 234 ( 0.0A)
ILE  A 238 ( 0.4A)
ASP  A 230 ( 0.6A)
0.94A 5wwsB-1txuA:
undetectable
5wwsB-1txuA:
18.45
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.
5X1F_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
5mc5 XAA-PRO DIPEPTIDASE
(Homo
sapiens)
4 / 7 HIS A 377
ASP A 453
THR A 410
HIS A 255
GLY  A 503 ( 3.9A)
None
MN  A 499 ( 4.0A)
PRO  A 504 (-4.2A)
1.34A 5x1fN-5mc5A:
undetectable
5x1fP-5mc5A:
1.9
5x1fN-5mc5A:
undetectable
5x1fP-5mc5A:
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.
5X23_A_LSNA504_1
(CYTOCHROME P450 2C9)
2qc5 STREPTOGRAMIN B
LACTONASE

(Staphylococcus
cohnii)
4 / 8 PHE A 198
ILE A 230
PRO A 221
PRO A 227
PHE  A 198 ( 1.3A)
ILE  A 230 ( 0.6A)
PRO  A 221 ( 1.1A)
PRO  A 227 ( 1.1A)
1.08A 5x23A-2qc5A:
undetectable
5x23A-2qc5A:
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)
4dlk PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Bacillus
anthracis)
4 / 8 PRO A 207
LYS A 204
THR A 286
TYR A 279
PRO  A 207 ( 1.1A)
LYS  A 204 ( 0.0A)
THR  A 286 ( 0.8A)
TYR  A 279 ( 1.3A)
1.36A 5x2sI-4dlkA:
undetectable
5x2sJ-4dlkA:
undetectable
5x2sK-4dlkA:
undetectable
5x2sI-4dlkA:
17.77
5x2sJ-4dlkA:
19.82
5x2sK-4dlkA:
17.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_A_HFGA801_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
9 / 12 GLU A1154
PRO A1120
ARG A1152
TRP A1169
GLU A1171
HIS A1173
THR A1240
SER A1272
GLY A1274
91Y  A1601 (-4.6A)
None
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.88A 5xioA-5vadA:
48.3
5xioA-5vadA:
54.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_A_HFGA801_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
8 / 12 GLU A1154
PRO A1120
GLU A1171
HIS A1173
PHE A1216
THR A1240
SER A1272
GLY A1274
91Y  A1601 (-4.6A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.96A 5xioA-5vadA:
48.3
5xioA-5vadA:
54.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_A_HFGA801_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
6 / 12 VAL A1101
PRO A1120
ARG A1152
HIS A1173
THR A1222
SER A1272
None
None
PRO  A1602 ( 3.4A)
PRO  A1602 ( 4.5A)
None
PRO  A1602 (-3.3A)
1.42A 5xioA-5vadA:
48.3
5xioA-5vadA:
54.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_A_HFGA801_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
9 / 12 VAL A1101
PRO A1120
ARG A1152
TRP A1169
GLU A1171
HIS A1173
THR A1240
SER A1272
GLY A1274
None
None
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.60A 5xioA-5vadA:
48.3
5xioA-5vadA:
54.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_A_HFGA801_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
8 / 12 VAL A1101
PRO A1120
GLU A1171
HIS A1173
PHE A1216
THR A1240
SER A1272
GLY A1274
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.79A 5xioA-5vadA:
48.3
5xioA-5vadA:
54.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_A_HFGA801_1
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
3 / 3 THR A1121
GLU A1123
HIS A1242
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
PRO  A1602 (-4.1A)
0.51A 5xioA-5vadA:
48.3
5xioA-5vadA:
54.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_B_HFGB802_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
6 / 12 GLU A1100
VAL A1101
ARG A1152
TRP A1169
GLU A1171
THR A1240
None
None
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
91Y  A1601 (-4.2A)
0.82A 5xioB-5vadA:
48.5
5xioB-5vadA:
54.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_B_HFGB802_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
9 / 12 GLU A1154
PRO A1120
THR A1121
ARG A1152
TRP A1169
GLU A1171
HIS A1173
THR A1240
HIS A1242
91Y  A1601 (-4.6A)
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
0.75A 5xioB-5vadA:
48.5
5xioB-5vadA:
54.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_B_HFGB802_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
7 / 12 GLU A1154
THR A1121
GLU A1171
HIS A1173
PHE A1216
THR A1240
HIS A1242
91Y  A1601 (-4.6A)
PRO  A1602 (-3.5A)
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
0.84A 5xioB-5vadA:
48.5
5xioB-5vadA:
54.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_B_HFGB802_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
5 / 12 PHE A1097
GLU A1154
PHE A1216
THR A1240
HIS A1242
None
91Y  A1601 (-4.6A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
1.34A 5xioB-5vadA:
48.5
5xioB-5vadA:
54.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_B_HFGB802_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
5 / 12 PHE A1097
VAL A1101
PHE A1216
THR A1240
HIS A1242
None
None
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
1.38A 5xioB-5vadA:
48.5
5xioB-5vadA:
54.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_B_HFGB802_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
9 / 12 VAL A1101
PRO A1120
THR A1121
ARG A1152
TRP A1169
GLU A1171
HIS A1173
THR A1240
HIS A1242
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
0.59A 5xioB-5vadA:
48.5
5xioB-5vadA:
54.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_B_HFGB802_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
5 / 12 VAL A1101
PRO A1120
THR A1121
GLU A1171
PHE A1248
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 4.7A)
None
1.29A 5xioB-5vadA:
48.5
5xioB-5vadA:
54.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_B_HFGB802_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
7 / 12 VAL A1101
THR A1121
GLU A1171
HIS A1173
PHE A1216
THR A1240
HIS A1242
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
0.70A 5xioB-5vadA:
48.5
5xioB-5vadA:
54.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_A_HFGA1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
5 / 12 GLU A1154
PHE A1216
THR A1240
SER A1272
GLY A1274
91Y  A1601 (-4.6A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.71A 5xipA-5vadA:
49.0
5xipA-5vadA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_A_HFGA1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
9 / 12 LEU A1087
GLU A1100
PRO A1120
THR A1121
ARG A1152
HIS A1173
THR A1240
SER A1272
GLY A1274
None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.74A 5xipA-5vadA:
49.0
5xipA-5vadA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_A_HFGA1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
6 / 12 LEU A1087
GLU A1100
VAL A1101
PRO A1120
HIS A1173
THR A1222
None
None
None
None
PRO  A1602 ( 4.5A)
None
1.48A 5xipA-5vadA:
49.0
5xipA-5vadA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_A_HFGA1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
9 / 12 LEU A1087
GLU A1100
VAL A1101
PRO A1120
THR A1121
ARG A1152
HIS A1173
THR A1240
GLY A1274
None
None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.7A)
0.71A 5xipA-5vadA:
49.0
5xipA-5vadA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_A_HFGA1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
8 / 12 LEU A1087
PRO A1120
THR A1121
HIS A1173
PHE A1216
THR A1240
SER A1272
GLY A1274
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.72A 5xipA-5vadA:
49.0
5xipA-5vadA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_A_HFGA1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
5 / 12 VAL A1101
PRO A1120
THR A1121
HIS A1173
PHE A1248
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 4.5A)
None
1.25A 5xipA-5vadA:
49.0
5xipA-5vadA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_A_HFGA1003_1
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
3 / 3 GLU A1123
TRP A1169
HIS A1242
PRO  A1602 (-2.8A)
None
PRO  A1602 (-4.1A)
0.42A 5xipA-5vadA:
49.0
5xipA-5vadA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_B_HFGB1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
9 / 12 GLU A1100
VAL A1101
PRO A1120
THR A1121
GLU A1123
ARG A1152
TRP A1169
HIS A1173
THR A1240
None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
0.67A 5xipB-5vadA:
48.9
5xipB-5vadA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_B_HFGB1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
7 / 12 GLU A1100
VAL A1101
PRO A1120
THR A1121
GLU A1123
HIS A1173
THR A1222
None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
PRO  A1602 ( 4.5A)
None
1.10A 5xipB-5vadA:
48.9
5xipB-5vadA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_B_HFGB1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
7 / 12 GLU A1154
THR A1121
ARG A1152
TRP A1169
HIS A1173
THR A1240
HIS A1242
91Y  A1601 (-4.6A)
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
0.91A 5xipB-5vadA:
48.9
5xipB-5vadA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_B_HFGB1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
6 / 12 GLU A1154
TRP A1169
HIS A1173
PHE A1216
THR A1240
HIS A1242
91Y  A1601 (-4.6A)
None
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
0.91A 5xipB-5vadA:
48.9
5xipB-5vadA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_B_HFGB1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
7 / 12 PRO A1120
GLU A1123
TRP A1169
HIS A1173
PHE A1216
THR A1240
HIS A1242
None
PRO  A1602 (-2.8A)
None
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
0.64A 5xipB-5vadA:
48.9
5xipB-5vadA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_B_HFGB1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
9 / 12 VAL A1101
PRO A1120
THR A1121
GLU A1123
ARG A1152
TRP A1169
HIS A1173
THR A1240
HIS A1242
None
None
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
0.58A 5xipB-5vadA:
48.9
5xipB-5vadA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_B_HFGB1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
5 / 12 VAL A1101
PRO A1120
THR A1121
HIS A1173
PHE A1248
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 4.5A)
None
1.24A 5xipB-5vadA:
48.9
5xipB-5vadA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_C_HFGC1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
7 / 12 LEU A1087
GLU A1100
VAL A1101
PRO A1120
GLU A1123
HIS A1173
THR A1222
None
None
None
None
PRO  A1602 (-2.8A)
PRO  A1602 ( 4.5A)
None
1.40A 5xipC-5vadA:
48.7
5xipC-5vadA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_C_HFGC1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
11 / 12 LEU A1087
GLU A1100
VAL A1101
PRO A1120
THR A1121
GLU A1123
TRP A1169
GLU A1171
HIS A1173
THR A1240
GLY A1274
None
None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.7A)
0.64A 5xipC-5vadA:
48.7
5xipC-5vadA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_C_HFGC1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
11 / 12 LEU A1087
VAL A1101
PRO A1120
THR A1121
GLU A1123
TRP A1169
GLU A1171
HIS A1173
PHE A1216
THR A1240
GLY A1274
None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.7A)
0.63A 5xipC-5vadA:
48.7
5xipC-5vadA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_C_HFGC1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
5 / 12 VAL A1101
PRO A1120
THR A1121
GLU A1171
PHE A1248
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 4.7A)
None
1.23A 5xipC-5vadA:
48.7
5xipC-5vadA:
55.94
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.
5XIP_D_HFGD1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis)
5 / 12 LEU A 145
VAL A 199
PRO A 138
THR A 139
GLU A 126
LEU  A 145 ( 0.6A)
VAL  A 199 ( 0.6A)
PRO  A 138 ( 1.1A)
THR  A 139 ( 0.8A)
GLU  A 126 ( 0.5A)
1.39A 5xipD-2nvvA:
undetectable
5xipD-2nvvA:
21.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_D_HFGD1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
11 / 12 LEU A1087
GLU A1100
VAL A1101
PRO A1120
THR A1121
GLU A1123
ARG A1152
TRP A1169
GLU A1171
THR A1240
TRP A1273
None
None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
91Y  A1601 (-4.2A)
None
0.73A 5xipD-5vadA:
48.5
5xipD-5vadA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_D_HFGD1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
7 / 12 LEU A1087
GLU A1100
VAL A1101
PRO A1120
THR A1121
GLU A1123
THR A1222
None
None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
None
1.36A 5xipD-5vadA:
48.5
5xipD-5vadA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_D_HFGD1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
10 / 12 LEU A1087
VAL A1101
PRO A1120
GLU A1123
ARG A1152
TRP A1169
GLU A1171
PHE A1216
THR A1240
TRP A1273
None
None
None
PRO  A1602 (-2.8A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
None
0.71A 5xipD-5vadA:
48.5
5xipD-5vadA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_D_HFGD1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
6 / 12 VAL A1101
PRO A1120
THR A1121
GLU A1171
PHE A1248
TRP A1273
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 4.7A)
None
None
1.42A 5xipD-5vadA:
48.5
5xipD-5vadA:
55.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_A_HFGA1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
5 / 12 GLU A1154
PHE A1216
THR A1240
SER A1272
GLY A1274
91Y  A1601 (-4.6A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.84A 5xiqA-5vadA:
49.7
5xiqA-5vadA:
55.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_A_HFGA1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
8 / 12 LEU A1087
GLU A1100
VAL A1101
TRP A1169
GLU A1171
HIS A1173
THR A1240
GLY A1274
None
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.7A)
0.74A 5xiqA-5vadA:
49.7
5xiqA-5vadA:
55.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_A_HFGA1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
9 / 12 LEU A1087
VAL A1101
PRO A1120
TRP A1169
GLU A1171
HIS A1173
THR A1240
SER A1272
GLY A1274
None
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.58A 5xiqA-5vadA:
49.7
5xiqA-5vadA:
55.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_A_HFGA1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
9 / 12 LEU A1087
VAL A1101
TRP A1169
GLU A1171
HIS A1173
PHE A1216
THR A1240
SER A1272
GLY A1274
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.72A 5xiqA-5vadA:
49.7
5xiqA-5vadA:
55.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_A_HFGA1002_1
(PROLYL-TRNA
SYNTHETASE (PRORS))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
4 / 4 THR A1121
GLU A1123
ARG A1152
HIS A1242
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
PRO  A1602 ( 3.4A)
PRO  A1602 (-4.1A)
0.59A 5xiqA-5vadA:
49.7
5xiqA-5vadA:
55.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_B_HFGB1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
8 / 12 LEU A1087
GLU A1100
VAL A1101
ARG A1152
TRP A1169
GLU A1171
HIS A1173
THR A1240
None
None
None
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
0.78A 5xiqB-5vadA:
49.9
5xiqB-5vadA:
55.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_B_HFGB1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
9 / 12 LEU A1087
VAL A1101
PRO A1120
ARG A1152
TRP A1169
GLU A1171
HIS A1173
THR A1240
SER A1272
None
None
None
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
0.59A 5xiqB-5vadA:
49.9
5xiqB-5vadA:
55.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_B_HFGB1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
6 / 12 LEU A1087
VAL A1101
PRO A1120
HIS A1173
THR A1222
SER A1272
None
None
None
PRO  A1602 ( 4.5A)
None
PRO  A1602 (-3.3A)
1.44A 5xiqB-5vadA:
49.9
5xiqB-5vadA:
55.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_B_HFGB1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
9 / 12 LEU A1087
VAL A1101
PRO A1120
TRP A1169
GLU A1171
HIS A1173
PHE A1216
THR A1240
SER A1272
None
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
0.73A 5xiqB-5vadA:
49.9
5xiqB-5vadA:
55.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_B_HFGB1002_1
(PROLYL-TRNA
SYNTHETASE (PRORS))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
3 / 3 THR A1121
GLU A1123
HIS A1242
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
PRO  A1602 (-4.1A)
0.48A 5xiqB-5vadA:
49.9
5xiqB-5vadA:
55.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_C_HFGC1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
7 / 12 GLU A1100
VAL A1101
PRO A1120
THR A1121
ARG A1152
THR A1222
SER A1272
None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 (-3.3A)
1.41A 5xiqC-5vadA:
49.7
5xiqC-5vadA:
55.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_C_HFGC1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
10 / 12 GLU A1100
VAL A1101
PRO A1120
THR A1121
ARG A1152
TRP A1169
GLU A1171
HIS A1173
THR A1240
SER A1272
None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
0.77A 5xiqC-5vadA:
49.7
5xiqC-5vadA:
55.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_C_HFGC1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
10 / 12 GLU A1100
VAL A1101
PRO A1120
THR A1121
TRP A1169
GLU A1171
HIS A1173
PHE A1216
THR A1240
SER A1272
None
None
None
PRO  A1602 (-3.5A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
0.88A 5xiqC-5vadA:
49.7
5xiqC-5vadA:
55.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_D_HFGD1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
10 / 12 LEU A1087
GLU A1100
VAL A1101
PRO A1120
ARG A1152
TRP A1169
GLU A1171
HIS A1173
THR A1240
GLY A1274
None
None
None
None
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.7A)
0.76A 5xiqD-5vadA:
49.6
5xiqD-5vadA:
55.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_D_HFGD1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
10 / 12 LEU A1087
GLU A1100
VAL A1101
PRO A1120
TRP A1169
GLU A1171
HIS A1173
PHE A1216
THR A1240
GLY A1274
None
None
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.7A)
0.90A 5xiqD-5vadA:
49.6
5xiqD-5vadA:
55.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_D_HFGD1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
5 / 12 VAL A1101
PRO A1120
GLU A1171
HIS A1173
PHE A1248
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
None
1.33A 5xiqD-5vadA:
49.6
5xiqD-5vadA:
55.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_D_HFGD1002_1
(PROLYL-TRNA
SYNTHETASE (PRORS))
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
3 / 3 THR A1121
GLU A1123
HIS A1242
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
PRO  A1602 (-4.1A)
0.52A 5xiqD-5vadA:
49.6
5xiqD-5vadA:
55.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0F_B_DAHB98_0
(MELC
TYROSINASE)
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli)
5 / 11 ASN A 181
HIS A 178
VAL A 177
ASP A 182
PRO A 183
ASN  A 181 ( 0.6A)
HIS  A 178 ( 1.0A)
VAL  A 177 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 183 ( 1.1A)
1.04A 5z0fA-3ulkA:
undetectable
5z0fB-3ulkA:
undetectable
5z0fA-3ulkA:
10.71
5z0fB-3ulkA:
10.00
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.
5Z0G_B_DAHB98_0
(MELC
TYROSINASE)
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli)
5 / 11 ASN A 181
HIS A 178
VAL A 177
ASP A 182
PRO A 183
ASN  A 181 ( 0.6A)
HIS  A 178 ( 1.0A)
VAL  A 177 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 183 ( 1.1A)
0.97A 5z0gA-3ulkA:
undetectable
5z0gB-3ulkA:
undetectable
5z0gA-3ulkA:
10.71
5z0gB-3ulkA:
10.00
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.
5Z0H_B_DAHB98_0
(MELC
TYROSINASE)
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli)
5 / 11 ASN A 181
HIS A 178
VAL A 177
ASP A 182
PRO A 183
ASN  A 181 ( 0.6A)
HIS  A 178 ( 1.0A)
VAL  A 177 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 183 ( 1.1A)
0.95A 5z0hA-3ulkA:
undetectable
5z0hB-3ulkA:
undetectable
5z0hA-3ulkA:
10.71
5z0hB-3ulkA:
10.00
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.
5Z0I_B_DAHB98_0
(MELC
TYROSINASE)
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli)
5 / 11 ASN A 181
HIS A 178
VAL A 177
ASP A 182
PRO A 183
ASN  A 181 ( 0.6A)
HIS  A 178 ( 1.0A)
VAL  A 177 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 183 ( 1.1A)
0.97A 5z0iA-3ulkA:
undetectable
5z0iB-3ulkA:
undetectable
5z0iA-3ulkA:
10.71
5z0iB-3ulkA:
10.00
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.
5Z0J_B_DAHB98_0
(MELC
TYROSINASE)
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli)
5 / 11 ASN A 181
HIS A 178
VAL A 177
ASP A 182
PRO A 183
ASN  A 181 ( 0.6A)
HIS  A 178 ( 1.0A)
VAL  A 177 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 183 ( 1.1A)
0.97A 5z0jA-3ulkA:
undetectable
5z0jB-3ulkA:
undetectable
5z0jA-3ulkA:
10.71
5z0jB-3ulkA:
10.00
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.
5Z0K_B_DAHB98_0
(MELC
TYROSINASE)
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli)
5 / 11 ASN A 181
HIS A 178
VAL A 177
ASP A 182
PRO A 183
ASN  A 181 ( 0.6A)
HIS  A 178 ( 1.0A)
VAL  A 177 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 183 ( 1.1A)
0.97A 5z0kA-3ulkA:
undetectable
5z0kB-3ulkA:
undetectable
5z0kA-3ulkA:
10.71
5z0kB-3ulkA:
10.00
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.
5Z0L_B_DAHB98_0
(MELC
TYROSINASE)
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli)
5 / 11 ASN A 181
HIS A 178
VAL A 177
ASP A 182
PRO A 183
ASN  A 181 ( 0.6A)
HIS  A 178 ( 1.0A)
VAL  A 177 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 183 ( 1.1A)
0.96A 5z0lA-3ulkA:
undetectable
5z0lB-3ulkA:
undetectable
5z0lA-3ulkA:
10.71
5z0lB-3ulkA:
10.00
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.
5Z0M_B_DAHB98_0
(MELC
TYROSINASE)
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli)
5 / 11 ASN A 181
HIS A 178
VAL A 177
ASP A 182
PRO A 183
ASN  A 181 ( 0.6A)
HIS  A 178 ( 1.0A)
VAL  A 177 ( 0.6A)
ASP  A 182 ( 0.6A)
PRO  A 183 ( 1.1A)
0.97A 5z0mA-3ulkA:
undetectable
5z0mB-3ulkA:
undetectable
5z0mA-3ulkA:
10.71
5z0mB-3ulkA:
10.00
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.
5Z6L_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
1txu RAB5 GDP/GTP
EXCHANGE FACTOR

(Homo
sapiens)
5 / 9 ILE A 242
ALA A 244
MET A 385
LEU A 369
PRO A 317
ILE  A 242 ( 0.7A)
ALA  A 244 ( 0.0A)
TRP  A 247 ( 3.6A)
LEU  A 369 ( 0.6A)
PRO  A 317 ( 1.1A)
1.36A 5z6lA-1txuA:
undetectable
5z6lA-1txuA:
20.74
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.
5ZVG_A_SAMA401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)
3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Mycobacteroides
abscessus)
5 / 12 GLY A  -1
SER A   4
ALA A  87
ARG A  86
PRO A 295
GLY  A  -1 ( 0.0A)
SER  A   4 ( 0.0A)
ALA  A  87 ( 0.0A)
ARG  A  86 ( 0.6A)
PRO  A 295 ( 1.1A)
1.07A 5zvgA-3r9rA:
undetectable
5zvgA-3r9rA:
21.27
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.
5ZVG_B_SAMB401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)
3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Mycobacteroides
abscessus)
5 / 12 GLY A  -1
SER A   4
ALA A  87
ARG A  86
PRO A 295
GLY  A  -1 ( 0.0A)
SER  A   4 ( 0.0A)
ALA  A  87 ( 0.0A)
ARG  A  86 ( 0.6A)
PRO  A 295 ( 1.1A)
1.05A 5zvgB-3r9rA:
undetectable
5zvgB-3r9rA:
21.27
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.
6AK3_B_P2EB1201_1
(PROSTAGLANDIN E2
RECEPTOR EP3
SUBTYPE,SOLUBLE
CYTOCHROME B562)
4mwt LYSOSOMAL PROTECTIVE
PROTEIN

(Homo
sapiens)
4 / 5 PRO A  11
VAL A 318
GLY A  65
VAL A  75
PRO  A  11 ( 1.1A)
VAL  A 318 ( 0.6A)
GLY  A  65 ( 0.0A)
VAL  A  75 ( 0.6A)
0.94A 6ak3B-4mwtA:
undetectable
6ak3B-4mwtA:
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.
6AK3_B_P2EB1201_1
(PROSTAGLANDIN E2
RECEPTOR EP3
SUBTYPE,SOLUBLE
CYTOCHROME B562)
4mwt LYSOSOMAL PROTECTIVE
PROTEIN

(Homo
sapiens)
4 / 5 PRO A  11
VAL A 318
GLY A  71
VAL A  75
PRO  A  11 ( 1.1A)
VAL  A 318 ( 0.6A)
GLY  A  71 ( 0.0A)
VAL  A  75 ( 0.6A)
1.01A 6ak3B-4mwtA:
undetectable
6ak3B-4mwtA:
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.
6AK3_B_P2EB1201_1
(PROSTAGLANDIN E2
RECEPTOR EP3
SUBTYPE,SOLUBLE
CYTOCHROME B562)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
4 / 5 PRO A1079
VAL A1125
GLY A1274
VAL A1150
None
None
PRO  A1602 (-3.7A)
None
0.99A 6ak3B-5vadA:
undetectable
6ak3B-5vadA:
10.53
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.
6B1E_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
10 / 12 ARG A 106
GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
ILE  A 801 (-4.2A)
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
0.80A 6b1eB-5yp3A:
34.7
6b1eB-5yp3A:
8.39
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.
6B1E_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
10 / 12 GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
HIS A 721
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
ILE  A 801 (-4.5A)
0.34A 6b1eB-5yp3A:
34.7
6b1eB-5yp3A:
8.39
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.
6B1E_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
5 / 12 GLU A 208
TYR A 527
SER A 613
VAL A 639
TYR A 645
ILE  A 801 (-3.4A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
1.05A 6b1eB-5yp3A:
34.7
6b1eB-5yp3A:
8.39
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.
6B1E_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomona
s
mexicana)
5 / 12 TYR A 617
TYR A 645
ASN A 691
VAL A 692
HIS A 721
None
PRO  A 802 (-4.0A)
ILE  A 801 (-3.1A)
None
ILE  A 801 (-4.5A)
1.11A 6b1eB-5yp3A:
34.7
6b1eB-5yp3A:
8.39
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.
6B5Y_A_9F2A302_1
(BETA-LACTAMASE)
1woj 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE

(Homo
sapiens)
5 / 9 PRO A 167
TYR A 169
THR A 233
THR A 234
ASP A 252
PRO  A 167 ( 1.1A)
TYR  A 169 ( 1.3A)
THR  A 233 (-0.9A)
THR  A 234 ( 0.9A)
ASP  A 252 ( 0.6A)
1.36A 6b5yA-1wojA:
0.0
6b5yB-1wojA:
undetectable
6b5yA-1wojA:
18.18
6b5yB-1wojA:
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.
6B68_A_9F2A302_1
(BETA-LACTAMASE)
1woj 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE

(Homo
sapiens)
5 / 9 PRO A 167
TYR A 169
THR A 233
THR A 234
ASP A 252
PRO  A 167 ( 1.1A)
TYR  A 169 ( 1.3A)
THR  A 233 (-0.9A)
THR  A 234 ( 0.9A)
ASP  A 252 ( 0.6A)
1.36A 6b68A-1wojA:
0.0
6b68B-1wojA:
0.0
6b68A-1wojA:
18.18
6b68B-1wojA:
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.
6B68_C_9F2C302_1
(BETA-LACTAMASE)
1woj 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE

(Homo
sapiens)
5 / 10 PRO A 167
TYR A 169
THR A 233
THR A 234
ASP A 252
PRO  A 167 ( 1.1A)
TYR  A 169 ( 1.3A)
THR  A 233 (-0.9A)
THR  A 234 ( 0.9A)
ASP  A 252 ( 0.6A)
1.35A 6b68C-1wojA:
0.0
6b68D-1wojA:
0.0
6b68C-1wojA:
18.18
6b68D-1wojA:
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.
6B69_A_9F2A302_1
(BETA-LACTAMASE)
1woj 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE

(Homo
sapiens)
5 / 9 PRO A 167
TYR A 169
THR A 233
THR A 234
ASP A 252
PRO  A 167 ( 1.1A)
TYR  A 169 ( 1.3A)
THR  A 233 (-0.9A)
THR  A 234 ( 0.9A)
ASP  A 252 ( 0.6A)
1.33A 6b69A-1wojA:
0.0
6b69B-1wojA:
0.0
6b69A-1wojA:
18.18
6b69B-1wojA:
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.
6B69_C_9F2C302_1
(BETA-LACTAMASE)
1woj 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE

(Homo
sapiens)
5 / 9 PRO A 167
TYR A 169
THR A 233
THR A 234
ASP A 252
PRO  A 167 ( 1.1A)
TYR  A 169 ( 1.3A)
THR  A 233 (-0.9A)
THR  A 234 ( 0.9A)
ASP  A 252 ( 0.6A)
1.36A 6b69C-1wojA:
0.0
6b69D-1wojA:
0.0
6b69C-1wojA:
18.18
6b69D-1wojA:
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.
6B6A_C_9F2C302_1
(BETA-LACTAMASE)
1woj 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE

(Homo
sapiens)
5 / 9 PRO A 167
TYR A 169
THR A 233
THR A 234
ASP A 252
PRO  A 167 ( 1.1A)
TYR  A 169 ( 1.3A)
THR  A 233 (-0.9A)
THR  A 234 ( 0.9A)
ASP  A 252 ( 0.6A)
1.38A 6b6aC-1wojA:
0.0
6b6aD-1wojA:
undetectable
6b6aC-1wojA:
18.18
6b6aD-1wojA:
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.
6BER_A_DVAA2_0
(E(DVA)DP(DGL)(DHI)(D
PR)N(DAL)(DPR))
3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE

(Citrus
x
microcarpa)
3 / 3 GLU A 179
ASP A 227
PRO A 228
GLU  A 179 ( 0.6A)
ASP  A 227 ( 0.6A)
PRO  A 228 ( 1.1A)
0.31A 6berA-3wd7A:
undetectable
6berA-3wd7A:
3.86
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.
6BER_A_DVAA2_0
(E(DVA)DP(DGL)(DHI)(D
PR)N(DAL)(DPR))
3whl PROTEASOME-ACTIVATIN
G NUCLEOTIDASE, 26S
PROTEASE REGULATORY
SUBUNIT 6A

(Pyrococcus
furiosus;
Saccharomyces
cerevisiae)
3 / 3 GLU A 208
ASP A 213
PRO A 214
GLU  A 208 ( 0.6A)
ASP  A 213 ( 0.6A)
PRO  A 214 ( 1.1A)
0.50A 6berA-3whlA:
undetectable
6berA-3whlA:
6.60
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.
6BM5_A_SAMA1301_0
(METHIONINE SYNTHASE)
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis)
5 / 11 ASP A 178
PRO A 176
ARG A 182
PRO A  82
TYR A 117
ASP  A 178 ( 0.6A)
PRO  A 176 ( 1.1A)
ARG  A 182 ( 0.6A)
PRO  A  82 ( 1.1A)
TYR  A 117 ( 1.3A)
1.27A 6bm5A-2nvvA:
undetectable
6bm5A-2nvvA:
21.19
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.
6BRD_B_RFPB502_2
(RIFAMPIN
MONOOXYGENASE)
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50

(Geobacillus
stearothermophil
us)
4 / 6 VAL A 273
LEU A 284
ARG A 282
PRO A 230
VAL  A 273 ( 0.6A)
LEU  A 284 ( 0.6A)
ARG  A 282 ( 0.6A)
PRO  A 230 ( 1.1A)
1.16A 6brdB-2ogsA:
undetectable
6brdB-2ogsA:
11.97
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.
6BXN_A_SAMA901_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)
5mc5 XAA-PRO DIPEPTIDASE
(Homo
sapiens)
5 / 12 HIS A 366
VAL A 467
ARG A 450
ILE A 288
ASP A 276
PRO  A 504 (-3.8A)
None
PRO  A 504 (-3.7A)
None
MN  A 500 (-1.9A)
1.45A 6bxnA-5mc5A:
undetectable
6bxnA-5mc5A:
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.
6DCH_A_ACTA401_0
(SCOE PROTEIN)
4p7w L-PROLINE
CIS-4-HYDROXYLASE

(Mesorhizobium
japonicum)
4 / 5 HIS A 106
ASP A 108
HIS A 154
ARG A 118
CO  A 301 ( 3.3A)
CO  A 301 (-2.5A)
CO  A 301 ( 3.3A)
PRO  A 303 ( 2.9A)
0.74A 6dchA-4p7wA:
4.2
6dchA-4p7wA:
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.
6DHB_A_BEZA202_0
(HEPATITIS A VIRUS
CELLULAR RECEPTOR 2)
5inr DIPEPTIDASE
(Lactobacillus
farciminis)
4 / 6 ARG A 318
ILE A 314
ASN A  29
ASP A  31
PRO  A 502 (-3.7A)
None
None
None
1.23A 6dhbA-5inrA:
undetectable
6dhbA-5inrA:
13.79
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.
6DLZ_A_CYZA1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)
5w0a GLUCANASE
(Trichoderma
harzianum)
5 / 10 PRO A 294
LEU A 302
SER A 213
ILE A 290
GLY A 225
PRO  A 294 ( 1.1A)
LEU  A 302 ( 0.6A)
SER  A 213 ( 0.0A)
ILE  A 290 ( 0.7A)
GLY  A 225 ( 0.0A)
1.10A 6dlzA-5w0aA:
undetectable
6dlzD-5w0aA:
undetectable
6dlzA-5w0aA:
20.93
6dlzD-5w0aA:
20.93
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.
6DLZ_C_CYZC1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)
5w0a GLUCANASE
(Trichoderma
harzianum)
5 / 10 ILE A 290
GLY A 225
PRO A 294
LEU A 302
SER A 213
ILE  A 290 ( 0.7A)
GLY  A 225 ( 0.0A)
PRO  A 294 ( 1.1A)
LEU  A 302 ( 0.6A)
SER  A 213 ( 0.0A)
1.10A 6dlzB-5w0aA:
undetectable
6dlzC-5w0aA:
undetectable
6dlzB-5w0aA:
20.93
6dlzC-5w0aA:
20.93
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.
6DM1_A_CYZA1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)
5w0a GLUCANASE
(Trichoderma
harzianum)
5 / 10 PRO A 294
LEU A 302
SER A 213
ILE A 290
GLY A 225
PRO  A 294 ( 1.1A)
LEU  A 302 ( 0.6A)
SER  A 213 ( 0.0A)
ILE  A 290 ( 0.7A)
GLY  A 225 ( 0.0A)
1.10A 6dm1A-5w0aA:
undetectable
6dm1D-5w0aA:
undetectable
6dm1A-5w0aA:
20.93
6dm1D-5w0aA:
20.93
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.
6DM1_C_CYZC1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)
5w0a GLUCANASE
(Trichoderma
harzianum)
5 / 10 ILE A 290
GLY A 225
PRO A 294
LEU A 302
SER A 213
ILE  A 290 ( 0.7A)
GLY  A 225 ( 0.0A)
PRO  A 294 ( 1.1A)
LEU  A 302 ( 0.6A)
SER  A 213 ( 0.0A)
1.10A 6dm1B-5w0aA:
undetectable
6dm1C-5w0aA:
undetectable
6dm1B-5w0aA:
20.93
6dm1C-5w0aA:
20.93
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.
6EW0_B_TA1B501_2
(TUBULIN BETA CHAIN)
4mtp RNA DEPENDENT RNA
POLYMERASE

(Japanese
encephalitis
virus)
4 / 5 LEU A 640
THR A 379
PRO A 368
ARG A 546
LEU  A 640 ( 0.5A)
THR  A 379 ( 0.8A)
PRO  A 368 ( 1.1A)
ARG  A 546 ( 0.6A)
1.38A 6ew0B-4mtpA:
undetectable
6ew0B-4mtpA:
7.95
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.
6EW0_D_TA1D501_2
(TUBULIN BETA CHAIN)
4mtp RNA DEPENDENT RNA
POLYMERASE

(Japanese
encephalitis
virus)
4 / 5 LEU A 640
THR A 379
PRO A 368
ARG A 546
LEU  A 640 ( 0.5A)
THR  A 379 ( 0.8A)
PRO  A 368 ( 1.1A)
ARG  A 546 ( 0.6A)
1.38A 6ew0D-4mtpA:
undetectable
6ew0D-4mtpA:
7.95
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.
6EW0_H_TA1H501_2
(TUBULIN BETA CHAIN)
4mtp RNA DEPENDENT RNA
POLYMERASE

(Japanese
encephalitis
virus)
4 / 5 LEU A 640
THR A 379
PRO A 368
ARG A 546
LEU  A 640 ( 0.5A)
THR  A 379 ( 0.8A)
PRO  A 368 ( 1.1A)
ARG  A 546 ( 0.6A)
1.38A 6ew0H-4mtpA:
undetectable
6ew0H-4mtpA:
7.95
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.
6EW0_I_TA1I501_2
(TUBULIN BETA CHAIN)
4mtp RNA DEPENDENT RNA
POLYMERASE

(Japanese
encephalitis
virus)
4 / 5 LEU A 640
THR A 379
PRO A 368
ARG A 546
LEU  A 640 ( 0.5A)
THR  A 379 ( 0.8A)
PRO  A 368 ( 1.1A)
ARG  A 546 ( 0.6A)
1.38A 6ew0I-4mtpA:
undetectable
6ew0I-4mtpA:
7.95
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.
6FBV_D_FI8D1904_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')
5mc5 XAA-PRO DIPEPTIDASE
(Homo
sapiens)
4 / 8 ARG A 450
GLU A 412
VAL A 376
ARG A 469
PRO  A 504 (-3.7A)
MN  A 499 (-2.8A)
None
None
1.03A 6fbvD-5mc5A:
undetectable
6fbvD-5mc5A:
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.
6HLO_A_GBQA1501_0
(SUBSTANCE-P
RECEPTOR,GLGA
GLYCOGEN
SYNTHASE,SUBSTANCE-P
RECEPTOR)
1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F)
5 / 12 PRO A 548
ILE A 571
TYR A 541
HIS A 542
THR A 524
PRO  A 548 ( 1.1A)
ILE  A 571 ( 0.7A)
TYR  A 541 ( 1.3A)
HIS  A 542 ( 1.0A)
THR  A 524 ( 0.9A)
1.29A 6hloA-1v0fA:
0.0
6hloA-1v0fA:
21.46
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.
6J20_A_GBQA1201_1
(SUBSTANCE-P
RECEPTOR,ENDOLYSIN)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
4 / 7 ILE A1068
GLN A1170
GLU A1171
VAL A1073
None
None
PRO  A1602 ( 4.7A)
None
1.18A 6j20A-5vadA:
undetectable
6j20A-5vadA:
21.34
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.
6MKE_C_FK5C201_0
(PEPTIDYLPROLYL
ISOMERASE)
1zlm OSTEOCLAST
STIMULATING FACTOR 1

(Homo
sapiens)
4 / 4 ASP A  43
ILE A  61
PRO A  62
LEU A  60
ASP  A  43 ( 0.6A)
ILE  A  61 ( 0.5A)
PRO  A  62 ( 1.1A)
LEU  A  60 ( 0.6A)
1.36A 6mkeB-1zlmA:
undetectable
6mkeB-1zlmA:
15.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6MN8_A_HFGA603_0
(UNCHARACTERIZED
PROTEIN)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
5 / 12 GLU A1154
THR A1240
SER A1272
TRP A1273
GLY A1274
91Y  A1601 (-4.6A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
None
PRO  A1602 (-3.7A)
0.69A 6mn8A-5vadA:
45.7
6mn8A-5vadA:
59.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6MN8_A_HFGA603_0
(UNCHARACTERIZED
PROTEIN)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
11 / 12 LEU A1087
GLU A1100
VAL A1101
PRO A1120
TRP A1169
GLU A1171
HIS A1173
THR A1240
SER A1272
TRP A1273
GLY A1274
None
None
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
None
PRO  A1602 (-3.7A)
0.69A 6mn8A-5vadA:
45.7
6mn8A-5vadA:
59.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6MN8_A_HFGA603_1
(UNCHARACTERIZED
PROTEIN)
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo
sapiens)
4 / 4 THR A1121
GLU A1123
ARG A1152
HIS A1242
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
PRO  A1602 ( 3.4A)
PRO  A1602 (-4.1A)
0.45A 6mn8A-5vadA:
45.7
6mn8A-5vadA:
59.07
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.
6NCS_A_ACTA303_0
(N-ACETYLNEURAMINIC
ACID (SIALIC ACID)
SYNTHETASE)
3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Mycobacteroides
abscessus)
3 / 3 ILE A 177
THR A 176
PRO A 138
ILE  A 177 ( 0.7A)
THR  A 176 ( 0.8A)
PRO  A 138 ( 1.1A)
0.65A 6ncsA-3r9rA:
undetectable
6ncsA-3r9rA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NCS_A_ACTA303_0
(N-ACETYLNEURAMINIC
ACID (SIALIC ACID)
SYNTHETASE)
4ikn AP-3 COMPLEX SUBUNIT
MU-1

(Rattus
norvegicus)
3 / 3 ILE A 305
THR A 304
PRO A 297
ILE  A 305 ( 0.6A)
THR  A 304 ( 0.8A)
PRO  A 297 ( 1.1A)
0.65A 6ncsA-4iknA:
undetectable
6ncsA-4iknA:
21.78
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.
6NKN_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
5mc5 XAA-PRO DIPEPTIDASE
(Homo
sapiens)
4 / 6 HIS A 377
ASP A 453
THR A 410
HIS A 255
GLY  A 503 ( 3.9A)
None
MN  A 499 ( 4.0A)
PRO  A 504 (-4.2A)
1.35A 6nknA-5mc5A:
undetectable
6nknC-5mc5A:
2.4
6nknA-5mc5A:
undetectable
6nknC-5mc5A:
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.
6NMP_P_CHDP302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
5mc5 XAA-PRO DIPEPTIDASE
(Homo
sapiens)
4 / 7 HIS A 377
ASP A 453
THR A 410
HIS A 255
GLY  A 503 ( 3.9A)
None
MN  A 499 ( 4.0A)
PRO  A 504 (-4.2A)
1.34A 6nmpN-5mc5A:
undetectable
6nmpP-5mc5A:
undetectable
6nmpN-5mc5A:
undetectable
6nmpP-5mc5A:
undetectable