SIMILAR PATTERNS OF AMINO ACIDS FOR 2OIP_B_MTXB609

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. 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.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)


(Hepacivirus C)
PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD)
5 ALA A  45
LEU A  64
SER A 706
THR A  10
THR A  54
None
1.26A 2oipB-1cu1A:
undetectable
2oipB-1cu1A:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cz3 DIHYDROFOLATE
REDUCTASE


(Thermotoga
maritima)
PF00186
(DHFR_1)
5 ALA A   8
ASP A  27
LYS A  29
PHE A  31
THR A 121
None
1.19A 2oipB-1cz3A:
17.7
2oipB-1cz3A:
16.76
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.
1cz3 DIHYDROFOLATE
REDUCTASE


(Thermotoga
maritima)
PF00186
(DHFR_1)
7 ALA A   8
ASP A  27
PHE A  31
THR A  47
LEU A  55
ARG A  58
THR A 121
None
None
None
SO4  A 200 (-3.7A)
None
None
None
0.59A 2oipB-1cz3A:
17.7
2oipB-1cz3A:
16.76
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.
1ddl DESMODIUM YELLOW
MOTTLE VIRUS


(Desmodium
yellow mottle
virus)
PF00983
(Tymo_coat)
5 ALA A  69
LEU A  71
LEU A  59
SER A  57
THR A 150
None
1.22A 2oipB-1ddlA:
undetectable
2oipB-1ddlA:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dkr PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE


(Bacillus
subtilis)
PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth)
5 ALA A 229
LEU A 256
LEU A 272
LEU A 156
THR A 233
SO4  A1002 (-4.7A)
None
None
None
None
1.15A 2oipB-1dkrA:
undetectable
2oipB-1dkrA:
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.
1dr6 DIHYDROFOLATE
REDUCTASE


(Gallus gallus)
PF00186
(DHFR_1)
7 ALA A   9
LEU A  22
LYS A  32
PHE A  34
THR A  56
TYR A 121
THR A 136
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
None
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
HBI  A 198 ( 4.5A)
0.63A 2oipB-1dr6A:
21.1
2oipB-1dr6A:
16.95
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.
1dr6 DIHYDROFOLATE
REDUCTASE


(Gallus gallus)
PF00186
(DHFR_1)
8 ALA A   9
LEU A  22
PHE A  34
THR A  56
LEU A  67
ARG A  70
TYR A 121
THR A 136
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
None
HBI  A 198 ( 4.5A)
0.60A 2oipB-1dr6A:
21.1
2oipB-1dr6A:
16.95
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.
1ixr RUVB

(Thermus
thermophilus)
PF05491
(RuvB_C)
PF05496
(RuvB_N)
5 ALA C 308
LEU C 245
LEU C 289
LEU C 274
THR C 305
None
1.31A 2oipB-1ixrC:
undetectable
2oipB-1ixrC:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j1u TYROSYL-TRNA
SYNTHETASE


(Methanocaldococcus
jannaschii)
PF00579
(tRNA-synt_1b)
5 LEU A  55
LEU A  20
SER A  16
ARG A 181
THR A  11
None
1.04A 2oipB-1j1uA:
undetectable
2oipB-1j1uA:
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.
1juv DIHYDROFOLATE
REDUCTASE


(Escherichia
virus T4)
PF00186
(DHFR_1)
7 LEU A  28
ASP A  36
LEU A  37
PHE A  40
THR A  55
LEU A  63
ARG A  66
None
None
None
None
NDP  A 194 (-3.3A)
None
None
0.82A 2oipB-1juvA:
14.5
2oipB-1juvA:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1la2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE


(Saccharomyces
cerevisiae)
PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5)
5 ALA A  87
LEU A 164
THR A 443
LEU A  73
TYR A 105
None
1.14A 2oipB-1la2A:
undetectable
2oipB-1la2A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lq2 BETA-D-GLUCAN
GLUCOHYDROLASE
ISOENZYME EXO1


(Hordeum vulgare)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
5 ALA A 241
LEU A 276
LYS A 277
PHE A 278
ARG A 348
None
1.18A 2oipB-1lq2A:
undetectable
2oipB-1lq2A:
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.
1njf DNA POLYMERASE III
SUBUNIT GAMMA


(Escherichia
coli)
PF13177
(DNA_pol3_delta2)
5 LEU A 139
PHE A 136
SER A 135
THR A 156
THR A 165
None
1.17A 2oipB-1njfA:
undetectable
2oipB-1njfA:
19.68
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.
1u6z EXOPOLYPHOSPHATASE

(Escherichia
coli)
PF02541
(Ppx-GppA)
5 ALA A  95
LEU A 102
LYS A 103
PHE A 101
LEU A  69
None
1.03A 2oipB-1u6zA:
undetectable
2oipB-1u6zA:
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.
1u70 DIHYDROFOLATE
REDUCTASE


(Mus musculus)
PF00186
(DHFR_1)
6 ALA A   9
LYS A  32
PHE A  34
THR A  56
TYR A 121
THR A 136
NDP  A 188 (-3.6A)
None
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
None
MTX  A 187 (-4.4A)
0.76A 2oipB-1u70A:
20.7
2oipB-1u70A:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u70 DIHYDROFOLATE
REDUCTASE


(Mus musculus)
PF00186
(DHFR_1)
7 ALA A   9
PHE A  34
THR A  56
LEU A  67
ARG A  70
TYR A 121
THR A 136
NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
MTX  A 187 (-4.4A)
0.50A 2oipB-1u70A:
20.7
2oipB-1u70A:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u71 DIHYDROFOLATE
REDUCTASE


(Homo sapiens)
PF00186
(DHFR_1)
7 ALA A   9
PHE A  34
THR A  56
LEU A  67
ARG A  70
TYR A 121
THR A 136
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
None
None
None
MXA  A 187 (-4.3A)
0.55A 2oipB-1u71A:
21.1
2oipB-1u71A:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w8a SLIT PROTEIN

(Drosophila
melanogaster)
PF00560
(LRR_1)
PF01462
(LRRNT)
PF01463
(LRRCT)
PF13855
(LRR_8)
5 ALA A 618
LEU A 597
LEU A 590
SER A 586
LEU A 582
None
1.25A 2oipB-1w8aA:
undetectable
2oipB-1w8aA:
16.96
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.
1xfc ALANINE RACEMASE

(Mycobacterium
tuberculosis)
PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N)
5 ALA A 215
PHE A 224
THR A 136
LEU A 195
THR A 216
None
1.30A 2oipB-1xfcA:
undetectable
2oipB-1xfcA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xxi DNA POLYMERASE III
SUBUNIT GAMMA


(Escherichia
coli)
PF12169
(DNA_pol3_gamma3)
PF13177
(DNA_pol3_delta2)
5 LEU B 139
PHE B 136
SER B 135
THR B 156
THR B 165
None
1.17A 2oipB-1xxiB:
undetectable
2oipB-1xxiB:
20.86
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.
1zbr CONSERVED
HYPOTHETICAL PROTEIN


(Porphyromonas
gingivalis)
PF04371
(PAD_porph)
5 ALA A  85
LEU A 141
ARG A 123
TYR A 335
THR A  19
None
1.15A 2oipB-1zbrA:
undetectable
2oipB-1zbrA:
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.
1zdr DIHYDROFOLATE
REDUCTASE


(Geobacillus
stearothermophilus)
PF00186
(DHFR_1)
9 ALA A   7
LEU A  20
ASP A  27
LEU A  28
PHE A  31
THR A  46
LEU A  54
ARG A  57
THR A 115
None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
0.54A 2oipB-1zdrA:
13.0
2oipB-1zdrA:
16.76
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Plasmodium
vivax)
PF00186
(DHFR_1)
8 ALA A  15
ASP A  53
LYS A  55
PHE A  57
SER A  58
ARG A 131
TYR A 179
THR A 194
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
CP7  A1240 ( 4.1A)
MES  A1241 (-3.1A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
0.94A 2oipB-2blbA:
20.7
2oipB-2blbA:
16.18
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Plasmodium
vivax)
PF00186
(DHFR_1)
9 ALA A  15
LEU A  45
ASP A  53
PHE A  57
SER A  58
LEU A 128
ARG A 131
TYR A 179
THR A 194
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
0.48A 2oipB-2blbA:
20.7
2oipB-2blbA:
16.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Trypanosoma
cruzi)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
7 ALA A  28
ASP A  48
LYS A  50
PHE A  52
ARG A  94
TYR A 160
THR A 178
NAP  A 523 (-3.7A)
None
None
None
None
None
None
1.43A 2oipB-2h2qA:
17.8
2oipB-2h2qA:
42.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Trypanosoma
cruzi)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
8 ALA A  28
ASP A  48
PHE A  52
THR A  80
LEU A  91
ARG A  94
TYR A 160
THR A 178
NAP  A 523 (-3.7A)
None
None
NAP  A 523 (-3.5A)
None
None
None
None
0.51A 2oipB-2h2qA:
17.8
2oipB-2h2qA:
42.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kzt PROGRAMMED CELL
DEATH PROTEIN 4


(Homo sapiens)
PF02847
(MA3)
5 ALA A 294
LEU A 243
PHE A 240
SER A 239
LEU A 223
None
1.09A 2oipB-2kztA:
undetectable
2oipB-2kztA:
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.
2nya PERIPLASMIC NITRATE
REDUCTASE


(Escherichia
coli)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
5 ALA A  87
LEU A 487
PHE A 529
SER A 530
LEU A 126
None
1.14A 2oipB-2nyaA:
undetectable
2oipB-2nyaA:
21.62
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.
2q42 PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 2


(Arabidopsis
thaliana)
PF00753
(Lactamase_B)
PF16123
(HAGH_C)
5 PHE A 134
SER A 137
THR A  53
TYR A  15
THR A 209
ACY  A 800 (-4.5A)
ACY  A 800 (-3.0A)
None
None
None
1.17A 2oipB-2q42A:
undetectable
2oipB-2q42A:
18.93
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.
2qfl INOSITOL-1-MONOPHOSP
HATASE


(Escherichia
coli)
PF00459
(Inositol_P)
5 LEU A 208
ASP A 191
LEU A 192
TYR A 168
THR A 185
None
1.25A 2oipB-2qflA:
2.8
2oipB-2qflA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qk8 DIHYDROFOLATE
REDUCTASE


(Bacillus
anthracis)
PF00186
(DHFR_1)
7 ALA A   8
LEU A  21
LEU A  29
LEU A  55
ARG A  58
TYR A 102
THR A 115
MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
MTX  A 200 ( 4.4A)
0.71A 2oipB-2qk8A:
19.1
2oipB-2qk8A:
16.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2tbv TOMATO BUSHY STUNT
VIRUS


(Tomato bushy
stunt virus)
PF00729
(Viral_coat)
5 LEU A 263
LEU A 145
SER A 143
THR A 269
ARG A 378
None
1.30A 2oipB-2tbvA:
undetectable
2oipB-2tbvA:
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.
2w3w DIHYDROFOLATE
REDUCTASE


(Mycobacterium
avium)
PF00186
(DHFR_1)
9 ALA A  11
ASP A  31
LEU A  32
PHE A  35
THR A  50
LEU A  61
ARG A  64
TYR A 108
THR A 121
VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
VG9  A1168 ( 4.7A)
0.64A 2oipB-2w3wA:
19.9
2oipB-2w3wA:
16.87
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.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003


(Staphylococcus
aureus)
PF00186
(DHFR_1)
9 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
LEU A  54
ARG A  57
TYR A  98
THR A 111
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
None
None
None
TOP  A1160 ( 4.5A)
0.58A 2oipB-2w9sA:
13.1
2oipB-2w9sA:
16.73
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.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003


(Staphylococcus
aureus)
PF00186
(DHFR_1)
6 ALA A   7
LEU A  20
ASP A  27
LYS A  29
TYR A  98
THR A 111
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
1.17A 2oipB-2w9sA:
13.1
2oipB-2w9sA:
16.73
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.
3dfr DIHYDROFOLATE
REDUCTASE


(Lactobacillus
casei)
PF00186
(DHFR_1)
8 ALA A   6
LEU A  19
ASP A  26
LEU A  27
PHE A  30
LEU A  54
ARG A  57
THR A 116
MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
0.49A 2oipB-3dfrA:
19.3
2oipB-3dfrA:
13.58
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.
3dfr DIHYDROFOLATE
REDUCTASE


(Lactobacillus
casei)
PF00186
(DHFR_1)
8 ALA A   6
LEU A  19
ASP A  26
LEU A  27
PHE A  30
THR A  45
LEU A  54
THR A 116
MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.3A)
0.40A 2oipB-3dfrA:
19.3
2oipB-3dfrA:
13.58
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Plasmodium
falciparum)
PF00186
(DHFR_1)
6 ALA A  16
ASP A  54
LYS A  56
PHE A  58
TYR A 170
THR A 185
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
None
RJ6  A 609 (-4.3A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
1.32A 2oipB-3dg8A:
21.2
2oipB-3dg8A:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Plasmodium
falciparum)
PF00186
(DHFR_1)
8 ALA A  16
LEU A  46
ASP A  54
PHE A  58
LEU A 119
ARG A 122
TYR A 170
THR A 185
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.3A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
0.50A 2oipB-3dg8A:
21.2
2oipB-3dg8A:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fs3 NUCLEOSOME ASSEMBLY
PROTEIN 1, PUTATIVE


(Plasmodium
falciparum)
PF00956
(NAP)
5 ALA A 185
PHE A 150
LEU A 107
TYR A 167
THR A 186
None
1.25A 2oipB-3fs3A:
undetectable
2oipB-3fs3A:
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.
3glg DNA POLYMERASE III
SUBUNIT DELTA


(Escherichia
coli)
PF06144
(DNA_pol3_delta)
PF14840
(DNA_pol3_delt_C)
5 ALA A  70
LEU A 100
LEU A  82
PHE A  53
SER A  54
None
1.27A 2oipB-3glgA:
undetectable
2oipB-3glgA:
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.
3hvn HEMOLYSIN

(Streptococcus
suis)
PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C)
5 LEU A 102
LEU A 241
LYS A 240
SER A 237
THR A 247
None
1.23A 2oipB-3hvnA:
undetectable
2oipB-3hvnA:
22.47
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.
3i8a DIHYDROFOLATE
REDUCTASE


(Staphylococcus
aureus)
PF00186
(DHFR_1)
7 ALA X   7
ASP X  27
LYS X  29
LEU X  54
ARG X  57
TYR X  98
THR X 111
N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
None
None
None
None
N22  X 219 (-4.4A)
0.95A 2oipB-3i8aX:
19.8
2oipB-3i8aX:
18.37
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.
3i8a DIHYDROFOLATE
REDUCTASE


(Staphylococcus
aureus)
PF00186
(DHFR_1)
7 ALA X   7
ASP X  27
THR X  46
LEU X  54
ARG X  57
TYR X  98
THR X 111
N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
NDP  X 207 (-3.2A)
None
None
None
N22  X 219 (-4.4A)
0.64A 2oipB-3i8aX:
19.8
2oipB-3i8aX:
18.37
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.
3i8a DIHYDROFOLATE
REDUCTASE


(Staphylococcus
aureus)
PF00186
(DHFR_1)
8 ALA X   7
LEU X  20
ASP X  27
LEU X  28
LYS X  29
ARG X  57
TYR X  98
THR X 111
N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
None
None
None
N22  X 219 (-4.4A)
0.95A 2oipB-3i8aX:
19.8
2oipB-3i8aX:
18.37
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.
3i8a DIHYDROFOLATE
REDUCTASE


(Staphylococcus
aureus)
PF00186
(DHFR_1)
8 ALA X   7
LEU X  20
ASP X  27
LEU X  28
THR X  46
ARG X  57
TYR X  98
THR X 111
N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
NDP  X 207 (-3.2A)
None
None
N22  X 219 (-4.4A)
0.61A 2oipB-3i8aX:
19.8
2oipB-3i8aX:
18.37
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.
3i8a DIHYDROFOLATE
REDUCTASE


(Staphylococcus
aureus)
PF00186
(DHFR_1)
5 ALA X   7
LEU X  20
LYS X  32
TYR X  98
THR X 111
N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
None
None
N22  X 219 (-4.4A)
1.17A 2oipB-3i8aX:
19.8
2oipB-3i8aX:
18.37
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.
3ia4 DIHYDROFOLATE
REDUCTASE


(Moritella
profunda)
PF00186
(DHFR_1)
8 ALA A   8
LEU A  29
PHE A  32
THR A  47
LEU A  55
ARG A  58
TYR A 102
THR A 115
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
None
MTX  A 164 (-4.3A)
0.44A 2oipB-3ia4A:
19.5
2oipB-3ia4A:
15.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ix9 DIHYDROFOLATE
REDUCTASE


(Streptococcus
pneumoniae)
PF00186
(DHFR_1)
8 ALA A  10
LEU A  23
LEU A  31
PHE A  34
THR A  49
LEU A  58
ARG A  61
THR A 119
MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.4A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
MTX  A 200 ( 4.5A)
0.55A 2oipB-3ix9A:
20.2
2oipB-3ix9A:
16.86
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.
3kc2 UNCHARACTERIZED
PROTEIN YKR070W


(Saccharomyces
cerevisiae)
PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6)
5 ALA A  15
LEU A  41
PHE A 294
SER A 314
LEU A 335
None
1.10A 2oipB-3kc2A:
undetectable
2oipB-3kc2A:
21.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE


(Babesia bovis)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
7 ALA A  16
ASP A  37
THR A  69
LEU A  80
ARG A  83
TYR A 129
THR A 144
NAP  A 512 (-3.7A)
None
NAP  A 512 (-3.6A)
None
None
None
None
0.31A 2oipB-3kjrA:
13.1
2oipB-3kjrA:
46.36
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.
3pbk FATTY ACYL-ADENYLATE
LIGASE


(Escherichia
coli)
PF00501
(AMP-binding)
5 LEU A 263
LYS A 264
SER A 267
THR A 332
ARG A 270
None
1.07A 2oipB-3pbkA:
undetectable
2oipB-3pbkA:
19.97
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.
3pqu TRANSFERRIN BINDING
PROTEIN B


(Actinobacillus
suis)
PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A)
5 ALA A 567
LEU A 428
PHE A 409
THR A 474
LEU A 404
None
1.30A 2oipB-3pquA:
undetectable
2oipB-3pquA:
20.59
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Trypanosoma
brucei)
PF00186
(DHFR_1)
5 ALA A  34
ASP A  54
LEU A  90
TYR A 166
THR A 184
WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-4.8A)
None
WRA  A 602 (-4.2A)
1.14A 2oipB-3rg9A:
20.3
2oipB-3rg9A:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Trypanosoma
brucei)
PF00186
(DHFR_1)
8 ALA A  34
ASP A  54
PHE A  58
THR A  86
LEU A  97
ARG A 100
TYR A 166
THR A 184
WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
None
None
None
WRA  A 602 (-4.2A)
0.58A 2oipB-3rg9A:
20.3
2oipB-3rg9A:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rht (GATASE1)-LIKE
PROTEIN


(Planctopirus
limnophila)
PF07090
(GATase1_like)
5 ALA A 202
LEU A 248
LEU A  82
PHE A 204
LEU A 216
None
1.28A 2oipB-3rhtA:
undetectable
2oipB-3rhtA:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rht (GATASE1)-LIKE
PROTEIN


(Planctopirus
limnophila)
PF07090
(GATase1_like)
5 ALA A 202
LEU A 248
LEU A  82
SER A 206
LEU A 216
None
1.17A 2oipB-3rhtA:
undetectable
2oipB-3rhtA:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tq9 DIHYDROFOLATE
REDUCTASE


(Coxiella
burnetii)
PF00186
(DHFR_1)
9 ALA A   8
LEU A  21
ASP A  28
LEU A  29
PHE A  32
THR A  47
LEU A  55
ARG A  58
THR A 115
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 (-4.3A)
0.56A 2oipB-3tq9A:
20.0
2oipB-3tq9A:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsy FUSION PROTEIN
4-COUMARATE--COA
LIGASE 1,
RESVERATROL SYNTHASE


(Arabidopsis
thaliana;
Vitis vinifera)
PF00195
(Chal_sti_synt_N)
PF00501
(AMP-binding)
PF02797
(Chal_sti_synt_C)
PF13193
(AMP-binding_C)
5 LEU A 250
LEU A 285
THR A 139
LEU A 118
THR A 380
None
1.29A 2oipB-3tsyA:
undetectable
2oipB-3tsyA:
19.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Plasmodium
falciparum)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
8 LEU A  46
ASP A  54
PHE A  58
THR A 108
LEU A 119
ARG A 122
TYR A 170
THR A 185
NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
None
1CY  A 609 (-4.3A)
0.50A 2oipB-3um6A:
18.8
2oipB-3um6A:
40.39
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.
3vco DIHYDROFOLATE
REDUCTASE


(Schistosoma
mansoni)
PF00186
(DHFR_1)
8 ALA A   8
ASP A  28
PHE A  32
THR A  53
LEU A  64
ARG A  67
TYR A 117
THR A 133
None
None
None
SO4  A 201 (-3.7A)
None
None
None
None
0.58A 2oipB-3vcoA:
18.2
2oipB-3vcoA:
16.36
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.
4aig ADAMALYSIN II

(Crotalus
adamanteus)
PF01421
(Reprolysin)
5 ALA A 100
LEU A  98
ASP A  15
SER A  60
LEU A  26
None
1.19A 2oipB-4aigA:
undetectable
2oipB-4aigA:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC


(Escherichia
coli)
PF01520
(Amidase_3)
PF11741
(AMIN)
5 ASP A  95
LYS A  99
SER A 100
ARG A 102
THR A  48
None
1.14A 2oipB-4binA:
2.1
2oipB-4binA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dvy CYTOTOXICITY-ASSOCIA
TED IMMUNODOMINANT
ANTIGEN


(Helicobacter
pylori)
no annotation 5 ALA P 168
LYS P  36
PHE P  34
LEU P 386
ARG P  60
None
1.02A 2oipB-4dvyP:
undetectable
2oipB-4dvyP:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dvy CYTOTOXICITY-ASSOCIA
TED IMMUNODOMINANT
ANTIGEN


(Helicobacter
pylori)
no annotation 5 ALA P 726
LEU P 699
LYS P 700
PHE P 702
SER P 703
None
1.29A 2oipB-4dvyP:
undetectable
2oipB-4dvyP:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fzw 1,2-EPOXYPHENYLACETY
L-COA ISOMERASE


(Escherichia
coli)
PF00378
(ECH_1)
5 LEU C  66
LEU C 139
PHE C 136
SER C 137
TYR C  88
None
1.30A 2oipB-4fzwC:
undetectable
2oipB-4fzwC:
17.73
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.
4g8z DIHYDROFOLATE
REDUCTASE


(Pneumocystis
jirovecii)
PF00186
(DHFR_1)
8 ALA X  12
LEU X  25
PHE X  36
THR X  61
LEU X  72
ARG X  75
TYR X 129
THR X 144
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
None
None
None
TOP  X 301 (-4.5A)
0.66A 2oipB-4g8zX:
20.3
2oipB-4g8zX:
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.
4g8z DIHYDROFOLATE
REDUCTASE


(Pneumocystis
jirovecii)
PF00186
(DHFR_1)
5 ALA X  12
LYS X  30
THR X  61
TYR X 129
THR X 144
NDP  X 302 ( 3.8A)
None
NDP  X 302 (-3.4A)
None
TOP  X 301 (-4.5A)
1.23A 2oipB-4g8zX:
20.3
2oipB-4g8zX:
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.
4g8z DIHYDROFOLATE
REDUCTASE


(Pneumocystis
jirovecii)
PF00186
(DHFR_1)
8 ALA X  12
PHE X  36
SER X  37
THR X  61
LEU X  72
ARG X  75
TYR X 129
THR X 144
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
None
NDP  X 302 (-3.4A)
None
None
None
TOP  X 301 (-4.5A)
0.76A 2oipB-4g8zX:
20.3
2oipB-4g8zX:
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.
4h96 DIHYDROFOLATE
REDUCTASE


(Candida
albicans)
PF00186
(DHFR_1)
7 ALA A  11
PHE A  36
THR A  58
LEU A  69
ARG A  72
TYR A 118
THR A 133
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
NDP  A 201 (-3.7A)
None
None
None
14Q  A 202 ( 4.6A)
0.66A 2oipB-4h96A:
19.3
2oipB-4h96A:
17.99
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.
4h98 DIHYDROFOLATE
REDUCTASE


([Candida]
glabrata)
PF00186
(DHFR_1)
8 ALA A  11
LEU A  25
PHE A  36
THR A  58
LEU A  69
ARG A  72
TYR A 127
THR A 140
14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
None
None
None
14Q  A 302 (-4.2A)
0.59A 2oipB-4h98A:
20.6
2oipB-4h98A:
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.
4h98 DIHYDROFOLATE
REDUCTASE


([Candida]
glabrata)
PF00186
(DHFR_1)
6 ALA A  11
LYS A  34
PHE A  36
ARG A  72
TYR A 127
THR A 140
14Q  A 302 ( 3.4A)
None
14Q  A 302 (-3.8A)
None
None
14Q  A 302 (-4.2A)
1.17A 2oipB-4h98A:
20.6
2oipB-4h98A:
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.
4k82 LV-RANASPUMIN
(LV-RSN-1)


(Leptodactylus
vastus)
no annotation 5 ALA A  39
LEU A  46
LEU A 130
THR A  89
ARG A  60
None
1.31A 2oipB-4k82A:
undetectable
2oipB-4k82A:
18.86
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.
4m2x DIHYDROFOLATE
REDUCTASE


(Mycobacterium
tuberculosis)
PF00186
(DHFR_1)
5 ALA A   7
ASP A  27
LEU A  50
TYR A 100
THR A 113
TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
None
None
TMQ  A 202 (-4.2A)
1.24A 2oipB-4m2xA:
19.2
2oipB-4m2xA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m2x DIHYDROFOLATE
REDUCTASE


(Mycobacterium
tuberculosis)
PF00186
(DHFR_1)
8 ALA A   7
ASP A  27
PHE A  31
THR A  46
LEU A  57
ARG A  60
TYR A 100
THR A 113
TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
None
None
None
TMQ  A 202 (-4.2A)
0.61A 2oipB-4m2xA:
19.2
2oipB-4m2xA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m7v DIHYDROFOLATE
REDUCTASE


(Enterococcus
faecalis)
PF00186
(DHFR_1)
9 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  29
PHE A  31
THR A  46
ARG A  58
THR A 116
RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 ( 4.2A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
0.70A 2oipB-4m7vA:
19.4
2oipB-4m7vA:
16.87
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.
4m7v DIHYDROFOLATE
REDUCTASE


(Enterococcus
faecalis)
PF00186
(DHFR_1)
9 ALA A   7
LEU A  20
ASP A  27
LEU A  28
PHE A  31
THR A  46
LEU A  55
ARG A  58
THR A 116
RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
0.70A 2oipB-4m7vA:
19.4
2oipB-4m7vA:
16.87
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.
4m7v DIHYDROFOLATE
REDUCTASE


(Enterococcus
faecalis)
PF00186
(DHFR_1)
6 LEU A  20
ASP A  27
LYS A  29
PHE A  31
THR A  46
LEU A  40
RAR  A 200 ( 3.7A)
RAR  A 200 (-2.6A)
RAR  A 200 ( 4.2A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
None
1.48A 2oipB-4m7vA:
19.4
2oipB-4m7vA:
16.87
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.
4n9f TRANSCRIPTION
ELONGATION FACTOR B
POLYPEPTIDE 2


(Homo sapiens)
no annotation 5 ALA X  67
LEU X   5
LEU X  57
SER X  21
THR X  66
None
1.28A 2oipB-4n9fX:
undetectable
2oipB-4n9fX:
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.
4n9x PUTATIVE
MONOOXYGENASE


(Pectobacterium
atrosepticum)
PF01494
(FAD_binding_3)
5 LEU A  32
LEU A 155
LYS A   1
SER A   3
THR A 128
None
1.23A 2oipB-4n9xA:
undetectable
2oipB-4n9xA:
21.38
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.
4ntl LIPOPROTEIN, YAEC
FAMILY


(Enterococcus
faecalis)
PF03180
(Lipoprotein_9)
5 ALA A  83
LEU A 247
LEU A  47
LYS A  44
PHE A  85
None
1.20A 2oipB-4ntlA:
undetectable
2oipB-4ntlA:
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.
4p68 DIHYDROFOLATE
REDUCTASE


(Escherichia
coli)
PF00186
(DHFR_1)
7 ALA A   7
ASP A  27
PHE A  31
THR A  46
ARG A  57
TYR A 100
THR A 113
MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.1A)
NAP  A 202 (-3.2A)
MTX  A 201 (-3.0A)
None
MTX  A 201 ( 4.5A)
0.44A 2oipB-4p68A:
19.7
2oipB-4p68A:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xai MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TAILLESS
ORTHOLOG


(Escherichia
coli;
Tribolium
castaneum)
PF00104
(Hormone_recep)
PF13416
(SBP_bac_8)
5 ASP A1271
LEU A1274
LYS A1275
PHE A1273
LEU A1377
None
1.24A 2oipB-4xaiA:
undetectable
2oipB-4xaiA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zxb FAB 83-7 HEAVY CHAIN
INSULIN RECEPTOR


(Homo sapiens;
Mus musculus)
PF00041
(fn3)
PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF07654
(C1-set)
PF07686
(V-set)
5 PHE A  27
SER A  25
LEU A   4
TYR A 100
THR E 223
None
1.17A 2oipB-4zxbA:
undetectable
2oipB-4zxbA:
17.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dxv RETHREADED DHFR

(synthetic
construct)
PF00186
(DHFR_1)
7 ALA A   7
PHE A  48
THR A  63
LEU A  71
ARG A  74
TYR A 117
THR A 130
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
None
None
None
CME  A 140 ( 4.5A)
0.53A 2oipB-5dxvA:
3.5
2oipB-5dxvA:
13.63
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.
5dxv RETHREADED DHFR

(synthetic
construct)
PF00186
(DHFR_1)
6 LEU A  45
PHE A  48
LEU A  71
ARG A  74
TYR A 117
THR A 130
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
None
None
None
CME  A 140 ( 4.5A)
0.94A 2oipB-5dxvA:
3.5
2oipB-5dxvA:
13.63
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I


(Klebsiella
pneumoniae)
PF00186
(DHFR_1)
5 ALA A   7
PHE A  31
THR A  46
ARG A  56
TYR A 102
5N1  A 202 ( 3.5A)
5N1  A 202 (-4.1A)
NAP  A 201 (-3.2A)
None
None
0.83A 2oipB-5ecxA:
20.2
2oipB-5ecxA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I


(Klebsiella
pneumoniae)
PF00186
(DHFR_1)
5 ALA A   7
PHE A  31
THR A  46
LEU A  53
TYR A 102
5N1  A 202 ( 3.5A)
5N1  A 202 (-4.1A)
NAP  A 201 (-3.2A)
5N1  A 202 ( 4.7A)
None
0.64A 2oipB-5ecxA:
20.2
2oipB-5ecxA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fda DIHYDROFOLATE
REDUCTASE


(Yersinia pestis)
PF00186
(DHFR_1)
6 ALA A   8
THR A  47
LEU A  55
ARG A  58
TYR A 101
THR A 114
None
1.06A 2oipB-5fdaA:
13.7
2oipB-5fdaA:
16.84
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.
5gne LEUCINE
AMINOPEPTIDASE


(Legionella
pneumophila)
PF04389
(Peptidase_M28)
5 LEU A 217
ASP A 215
PHE A 190
THR A  67
TYR A  80
None
1.31A 2oipB-5gneA:
undetectable
2oipB-5gneA:
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.
5kvu ISOCITRATE
DEHYDROGENASE


(Mycobacterium
tuberculosis)
PF03971
(IDH)
5 LEU A 705
ASP A 658
LEU A 657
SER A 649
LEU A 643
None
1.26A 2oipB-5kvuA:
undetectable
2oipB-5kvuA:
21.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Toxoplasma
gondii)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
6 ALA A  10
ASP A  31
LYS A  33
PHE A  35
TYR A 157
THR A 172
73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
None
73X  A 704 (-3.2A)
None
73X  A 704 (-4.2A)
1.33A 2oipB-5t0lA:
20.2
2oipB-5t0lA:
44.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Toxoplasma
gondii)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
10 ALA A  10
LEU A  23
ASP A  31
PHE A  35
SER A  36
THR A  83
LEU A  94
ARG A  97
TYR A 157
THR A 172
73X  A 704 (-4.0A)
None
73X  A 704 (-2.8A)
73X  A 704 (-3.2A)
None
NDP  A 702 (-3.2A)
None
None
None
73X  A 704 (-4.2A)
0.46A 2oipB-5t0lA:
20.2
2oipB-5t0lA:
44.56
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.
5xya -

(-)
no annotation 5 ALA A1026
LEU A1120
LEU A1094
PHE A1092
THR A1027
None
1.25A 2oipB-5xyaA:
undetectable
2oipB-5xyaA:
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.
5yt0 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2


(Aeropyrum
pernix)
no annotation 5 ALA A 140
LEU A 172
LEU A 192
PHE A 193
THR A 160
None
0.97A 2oipB-5yt0A:
undetectable
2oipB-5yt0A:
9.06
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.
5zvs VP2

(Aquareovirus C)
no annotation 5 ALA 2  33
LEU 2 162
SER 2 855
THR 2  45
LEU 2 151
None
1.26A 2oipB-5zvs2:
undetectable
2oipB-5zvs2:
10.06
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.
6cxm DIHYDROFOLATE
REDUCTASE


(Mycolicibacterium
smegmatis)
no annotation 9 ALA A   8
ASP A  28
LEU A  29
PHE A  32
THR A  47
LEU A  58
ARG A  61
TYR A  98
THR A 111
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
0.90A 2oipB-6cxmA:
6.7
2oipB-6cxmA:
9.86
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.
6e4e -

(-)
no annotation 8 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
LEU A  54
ARG A  57
THR A 111
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
None
None
MMV  A 202 (-4.3A)
0.62A 2oipB-6e4eA:
13.1
2oipB-6e4eA:
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.
6e4e -

(-)
no annotation 6 ALA A   7
LEU A  20
ASP A  27
LYS A  29
ARG A  57
THR A 111
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.3A)
1.23A 2oipB-6e4eA:
13.1
2oipB-6e4eA:
undetectable