SIMILAR PATTERNS OF AMINO ACIDS FOR 3NRR_A_D16A520

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.
1aol GP70

(Murine leukemia
virus)
PF00429
(TLV_coat)
5 ALA A 174
ASP A 108
LEU A 105
PRO A  68
THR A 171
None
1.04A 3nrrA-1aolA:
undetectable
3nrrA-1aolA:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H


(Streptomyces
plicatus)
PF00704
(Glyco_hydro_18)
5 ALA A 205
ASP A 183
LEU A 177
ILE A 165
LEU A 167
ALA  A 205 ( 0.0A)
ASP  A 183 ( 0.6A)
LEU  A 177 ( 0.6A)
ILE  A 165 ( 0.8A)
LEU  A 167 ( 0.5A)
1.15A 3nrrA-1c8xA:
undetectable
3nrrA-1c8xA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cz3 DIHYDROFOLATE
REDUCTASE


(Thermotoga
maritima)
PF00186
(DHFR_1)
6 ALA A   8
ASP A  27
ARG A  32
THR A  47
ILE A  51
THR A 121
None
None
None
SO4  A 200 (-3.7A)
None
None
0.60A 3nrrA-1cz3A:
17.5
3nrrA-1cz3A:
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.
1dcq PYK2-ASSOCIATED
PROTEIN BETA


(Mus musculus)
PF01412
(ArfGap)
PF12796
(Ank_2)
5 ALA A 473
LEU A 465
THR A 484
ILE A 488
LEU A 501
None
1.21A 3nrrA-1dcqA:
undetectable
3nrrA-1dcqA:
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.
1dr6 DIHYDROFOLATE
REDUCTASE


(Gallus gallus)
PF00186
(DHFR_1)
5 ALA A   9
THR A  56
ILE A  60
PRO A  61
THR A 136
HBI  A 198 ( 3.6A)
NAP  A 191 (-3.5A)
None
None
HBI  A 198 ( 4.5A)
0.56A 3nrrA-1dr6A:
23.9
3nrrA-1dr6A:
20.27
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.
1g8x MYOSIN II HEAVY
CHAIN FUSED TO
ALPHA-ACTININ 3


(Dictyostelium
discoideum)
PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N)
5 PHE A 122
ILE A 685
SER A  92
LEU A 676
THR A 178
None
1.17A 3nrrA-1g8xA:
undetectable
3nrrA-1g8xA:
19.45
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.
1jio CYTOCHROME P450
107A1


(Saccharopolyspora
erythraea)
PF00067
(p450)
5 ALA A  27
ILE A 306
PRO A 307
SER A 310
THR A  26
None
1.09A 3nrrA-1jioA:
undetectable
3nrrA-1jioA:
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.
1nav HORMONE RECEPTOR
ALPHA 1, THRA1


(Homo sapiens)
PF00104
(Hormone_recep)
5 ASP A 312
LEU A 311
ILE A 360
LEU A 367
THR A 314
None
1.07A 3nrrA-1navA:
undetectable
3nrrA-1navA:
19.60
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.
1o94 ELECTRON TRANSFER
FLAVOPROTEIN
ALPHA-SUBUNIT


(Methylophilus
methylotrophus)
PF01012
(ETF)
5 PHE D  48
LEU D  14
ARG D  15
PRO D 162
LEU D  52
None
1.15A 3nrrA-1o94D:
2.8
3nrrA-1o94D:
21.31
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.
1p9m INTERLEUKIN-6
RECEPTOR BETA CHAIN


(Homo sapiens)
PF00041
(fn3)
PF06328
(Lep_receptor_Ig)
PF09240
(IL6Ra-bind)
5 ALA A  73
ASP A  71
THR A  47
ILE A  52
PRO A  53
None
1.21A 3nrrA-1p9mA:
undetectable
3nrrA-1p9mA:
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.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens)
PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N)
5 ALA A 261
PHE A   9
LEU A  12
ARG A  13
LEU A 256
None
1.22A 3nrrA-1rw9A:
undetectable
3nrrA-1rw9A:
21.24
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.
1u70 DIHYDROFOLATE
REDUCTASE


(Mus musculus)
PF00186
(DHFR_1)
6 ALA A   9
PHE A  31
THR A  56
ILE A  60
PRO A  61
THR A 136
NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.2A)
MTX  A 187 (-4.8A)
MTX  A 187 (-4.4A)
0.40A 3nrrA-1u70A:
23.3
3nrrA-1u70A:
20.58
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.
1u71 DIHYDROFOLATE
REDUCTASE


(Homo sapiens)
PF00186
(DHFR_1)
5 ALA A   9
THR A  56
ILE A  60
PRO A  61
THR A 136
MXA  A 187 (-3.6A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.4A)
MXA  A 187 (-4.3A)
0.31A 3nrrA-1u71A:
23.6
3nrrA-1u71A:
23.30
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.
1um8 ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT CLPX


(Helicobacter
pylori)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small)
5 ALA A 358
LEU A 352
ILE A 343
SER A 344
LEU A 398
None
1.18A 3nrrA-1um8A:
undetectable
3nrrA-1um8A:
23.11
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.
1zdr DIHYDROFOLATE
REDUCTASE


(Geobacillus
stearothermophilus)
PF00186
(DHFR_1)
5 ALA A   7
ASP A  27
THR A  46
ILE A  50
THR A 115
None
None
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
None
0.38A 3nrrA-1zdrA:
20.6
3nrrA-1zdrA:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b0o UPLC1

(Homo sapiens)
PF01412
(ArfGap)
PF12796
(Ank_2)
5 ALA E 646
LEU E 638
THR E 657
ILE E 661
LEU E 674
None
1.18A 3nrrA-2b0oE:
undetectable
3nrrA-2b0oE:
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Plasmodium
vivax)
PF00186
(DHFR_1)
5 ALA A  15
ASP A  53
ILE A 121
PRO A 122
THR A 194
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
None
CP7  A1240 (-4.1A)
0.44A 3nrrA-2blbA:
23.3
3nrrA-2blbA:
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.
2ddz 190AA LONG
HYPOTHETICAL PROTEIN


(Pyrococcus
horikoshii)
PF04017
(DUF366)
5 ALA A  26
PHE A  76
ILE A 132
PRO A  79
LEU A  73
None
None
None
GAI  A 510 ( 4.8A)
None
1.15A 3nrrA-2ddzA:
undetectable
3nrrA-2ddzA:
16.97
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)
5 ALA A  28
ASP A  48
ARG A  53
THR A  80
THR A 178
NAP  A 523 (-3.7A)
None
None
NAP  A 523 (-3.5A)
None
0.66A 3nrrA-2h2qA:
17.2
3nrrA-2h2qA:
39.70
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)
6 ALA A  28
ASP A  48
THR A  80
ILE A  84
PRO A  85
THR A 178
NAP  A 523 (-3.7A)
None
NAP  A 523 (-3.5A)
None
None
None
0.53A 3nrrA-2h2qA:
17.2
3nrrA-2h2qA:
39.70
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.
2jkd PRE-MRNA LEAKAGE
PROTEIN 1


(Saccharomyces
cerevisiae)
PF00498
(FHA)
5 PHE A 201
LEU A 180
ILE A 172
PRO A 173
LEU A 186
None
1.16A 3nrrA-2jkdA:
undetectable
3nrrA-2jkdA:
17.03
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.
2kxr TIGHT JUNCTION
PROTEIN ZO-1


(Homo sapiens)
PF00791
(ZU5)
5 ALA A  70
LEU A  75
ILE A  28
PRO A  29
THR A  62
None
1.00A 3nrrA-2kxrA:
undetectable
3nrrA-2kxrA:
11.02
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.
2nra PI PROTEIN

(Escherichia
coli)
PF01051
(Rep_3)
5 ALA C  26
LEU C 202
ILE C 193
SER C 194
LEU C 174
None
1.19A 3nrrA-2nraC:
undetectable
3nrrA-2nraC:
22.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR


(Cryptosporidium
hominis)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
5 ALA A  11
ASP A  32
THR A  58
ILE A  62
THR A 134
MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.2A)
0.31A 3nrrA-2oipA:
44.4
3nrrA-2oipA:
46.01
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.
2pb0 ACETYLORNITHINE/SUCC
INYLDIAMINOPIMELATE
AMINOTRANSFERASE


(Salmonella
enterica)
PF00202
(Aminotran_3)
5 ALA A 178
ASP A 175
PHE A 208
LEU A 176
LEU A 215
None
1.22A 3nrrA-2pb0A:
undetectable
3nrrA-2pb0A:
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.
2pdz SYNTROPHIN

(Mus musculus)
PF00595
(PDZ)
5 LEU A  80
ILE A  28
PRO A  27
LEU A  71
THR A  42
None
1.10A 3nrrA-2pdzA:
undetectable
3nrrA-2pdzA:
11.71
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.
2rkv TRICHOTHECENE
3-O-ACETYLTRANSFERAS
E


(Fusarium
graminearum)
PF02458
(Transferase)
5 ALA A  57
PHE A  49
LEU A  46
ILE A 168
LEU A 139
None
1.13A 3nrrA-2rkvA:
undetectable
3nrrA-2rkvA:
23.13
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.
2w3w DIHYDROFOLATE
REDUCTASE


(Mycobacterium
avium)
PF00186
(DHFR_1)
5 ALA A  11
ASP A  31
THR A  50
PRO A  55
THR A 121
VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.7A)
0.48A 3nrrA-2w3wA:
21.2
3nrrA-2w3wA:
15.98
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.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003


(Staphylococcus
aureus)
PF00186
(DHFR_1)
5 ALA A   7
ASP A  27
THR A  46
ILE A  50
THR A 111
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
TOP  A1160 ( 4.5A)
0.45A 3nrrA-2w9sA:
20.7
3nrrA-2w9sA:
17.34
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.
2wym L-ASCORBATE-6-PHOSPH
ATE LACTONASE ULAG


(Escherichia
coli)
PF13483
(Lactamase_B_3)
5 ALA A 115
ASP A  61
ILE A 107
PRO A 104
THR A 116
None
None
GOL  A1343 (-3.9A)
None
None
1.11A 3nrrA-2wymA:
undetectable
3nrrA-2wymA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xyb LACCASE

(Trametes
cinnabarina)
PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3)
5 ASP A 458
LEU A 457
PRO A 367
SER A 370
THR A 114
None
GOL  A 610 (-4.7A)
None
None
None
1.11A 3nrrA-2xybA:
undetectable
3nrrA-2xybA:
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.
2yx0 RADICAL SAM ENZYME

(Pyrococcus
horikoshii)
PF04055
(Radical_SAM)
PF08608
(Wyosine_form)
5 ALA A 264
LEU A 235
THR A 177
ILE A 175
LEU A 185
None
1.07A 3nrrA-2yx0A:
undetectable
3nrrA-2yx0A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aib GLUCOSYLTRANSFERASE-
SI


(Streptococcus
mutans)
PF02324
(Glyco_hydro_70)
5 ALA A 645
LEU A 547
ARG A 554
SER A 705
LEU A 560
None
1.13A 3nrrA-3aibA:
undetectable
3nrrA-3aibA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cx6 GUANINE
NUCLEOTIDE-BINDING
PROTEIN ALPHA-13
SUBUNIT


(Mus musculus)
PF00503
(G-alpha)
5 ALA A 349
PHE A 289
LEU A 246
ILE A  51
SER A 242
GDP  A 775 (-3.2A)
None
None
None
None
1.13A 3nrrA-3cx6A:
undetectable
3nrrA-3cx6A:
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.
3dfr DIHYDROFOLATE
REDUCTASE


(Lactobacillus
casei)
PF00186
(DHFR_1)
5 ALA A   6
ASP A  26
THR A  45
PRO A  50
THR A 116
MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.6A)
MTX  A 164 ( 4.3A)
0.43A 3nrrA-3dfrA:
21.7
3nrrA-3dfrA:
15.98
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Plasmodium
falciparum)
PF00186
(DHFR_1)
6 ALA A  16
ASP A  54
ILE A 112
PRO A 113
LEU A 164
THR A 185
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.8A)
None
RJ6  A 609 ( 4.1A)
RJ6  A 609 ( 4.5A)
0.39A 3nrrA-3dg8A:
23.8
3nrrA-3dg8A:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dh9 THIOREDOXIN
REDUCTASE 1


(Drosophila
melanogaster)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
5 PHE A 471
LEU A 415
ILE A 476
LEU A 474
THR A 467
None
1.22A 3nrrA-3dh9A:
undetectable
3nrrA-3dh9A:
22.38
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.
3els PRE-MRNA LEAKAGE
PROTEIN 1


(Saccharomyces
cerevisiae)
PF00498
(FHA)
5 PHE A 201
LEU A 180
ILE A 172
PRO A 173
LEU A 186
None
None
None
CL  A 205 ( 4.8A)
None
1.19A 3nrrA-3elsA:
undetectable
3nrrA-3elsA:
16.12
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.
3emv URIDINE
PHOSPHORYLASE,
PUTATIVE


(Plasmodium
vivax)
PF01048
(PNP_UDP_1)
5 ALA A 112
PHE A 204
THR A 200
ILE A  88
SER A 234
None
0.95A 3nrrA-3emvA:
undetectable
3nrrA-3emvA:
19.19
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.
3fym PUTATIVE
UNCHARACTERIZED
PROTEIN


(Staphylococcus
aureus)
PF13413
(HTH_25)
5 LEU A1008
ILE A1076
PRO A1077
SER A1050
LEU A1068
None
1.12A 3nrrA-3fymA:
undetectable
3nrrA-3fymA:
12.11
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.
3g25 GLYCEROL KINASE

(Staphylococcus
aureus)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
5 ALA A 136
ILE A  96
PRO A  95
LEU A 144
THR A 188
None
1.16A 3nrrA-3g25A:
undetectable
3nrrA-3g25A:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gq9 PRENECK APPENDAGE
PROTEIN


(Bacillus virus
phi29)
PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3)
5 ALA A 234
LEU A 219
ILE A 267
SER A 264
LEU A 192
None
1.20A 3nrrA-3gq9A:
undetectable
3nrrA-3gq9A:
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.
3i8a DIHYDROFOLATE
REDUCTASE


(Staphylococcus
aureus)
PF00186
(DHFR_1)
5 ALA X   7
ASP X  27
THR X  46
ILE X  50
THR X 111
N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
N22  X 219 (-4.4A)
0.34A 3nrrA-3i8aX:
20.6
3nrrA-3i8aX:
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.
3k2v PUTATIVE D-ARABINOSE
5-PHOSPHATE
ISOMERASE


(Klebsiella
pneumoniae)
PF00571
(CBS)
5 THR A 218
ILE A 222
PRO A 223
LEU A 320
THR A 294
None
0.96A 3nrrA-3k2vA:
undetectable
3nrrA-3k2vA:
16.86
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)
9 PHE A  14
ALA A  16
ASP A  37
LEU A  41
THR A  69
ILE A  73
SER A  77
LEU A 123
THR A 144
None
NAP  A 512 (-3.7A)
None
None
NAP  A 512 (-3.6A)
None
None
None
None
0.60A 3nrrA-3kjrA:
52.1
3nrrA-3kjrA:
100.00
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)
9 PHE A  14
ALA A  16
LEU A  41
THR A  69
ILE A  73
PRO A  74
SER A  77
LEU A 123
THR A 144
None
NAP  A 512 (-3.7A)
None
NAP  A 512 (-3.6A)
None
None
None
None
None
0.71A 3nrrA-3kjrA:
52.1
3nrrA-3kjrA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3llq AQUAPORIN Z 2

(Agrobacterium
fabrum)
PF00230
(MIP)
5 PHE A  43
PHE A  62
LEU A  15
SER A  67
LEU A 168
None
1.13A 3nrrA-3llqA:
undetectable
3nrrA-3llqA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lml LIN1278 PROTEIN

(Listeria
innocua)
PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C)
5 ALA A  43
PHE A  74
ARG A  78
ILE A  55
LEU A  40
None
1.15A 3nrrA-3lmlA:
undetectable
3nrrA-3lmlA:
23.99
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.
3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS


(Aspergillus
oryzae)
PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C)
5 ASP A 545
ILE A 552
PRO A 553
LEU A 305
THR A 272
FAY  A 600 (-4.5A)
None
None
None
None
0.98A 3nrrA-3q9tA:
undetectable
3nrrA-3q9tA:
22.76
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Trypanosoma
brucei)
PF00186
(DHFR_1)
6 ALA A  34
ASP A  54
ARG A  59
THR A  86
PRO A  91
THR A 184
WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
None
NDP  A 601 ( 3.2A)
WRA  A 602 (-4.3A)
WRA  A 602 (-4.2A)
0.55A 3nrrA-3rg9A:
21.8
3nrrA-3rg9A:
19.60
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.
3sm3 SAM-DEPENDENT
METHYLTRANSFERASES


(Methanosarcina
mazei)
PF08241
(Methyltransf_11)
5 PHE A 220
LEU A 190
ILE A 124
SER A 121
LEU A 139
None
1.18A 3nrrA-3sm3A:
undetectable
3nrrA-3sm3A:
20.54
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.
3t6w LACCASE

(Steccherinum
ochraceum)
PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3)
5 ASP A 460
LEU A 459
PRO A 371
SER A 374
THR A 115
None
GOL  A 508 (-4.6A)
None
None
None
1.08A 3nrrA-3t6wA:
undetectable
3nrrA-3t6wA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tq9 DIHYDROFOLATE
REDUCTASE


(Coxiella
burnetii)
PF00186
(DHFR_1)
5 ALA A   8
ASP A  28
THR A  47
ILE A  51
THR A 115
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 (-4.3A)
0.38A 3nrrA-3tq9A:
21.2
3nrrA-3tq9A:
17.61
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.
3tqi GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]


(Coxiella
burnetii)
PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase)
5 PHE A 176
ALA A 167
LEU A 121
LEU A  83
THR A 157
None
1.08A 3nrrA-3tqiA:
undetectable
3nrrA-3tqiA:
22.59
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)
5 ASP A  54
THR A 108
ILE A 112
PRO A 113
THR A 185
1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 (-4.3A)
0.63A 3nrrA-3um6A:
42.2
3nrrA-3um6A:
44.35
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.
3vco DIHYDROFOLATE
REDUCTASE


(Schistosoma
mansoni)
PF00186
(DHFR_1)
6 ALA A   8
ASP A  28
THR A  53
ILE A  57
PRO A  58
THR A 133
None
None
SO4  A 201 (-3.7A)
None
None
None
0.71A 3nrrA-3vcoA:
20.1
3nrrA-3vcoA:
20.27
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.
4a3u NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE


(Zymomonas
mobilis)
PF00724
(Oxidored_FMN)
5 ALA A 300
ARG A 316
PRO A  23
LEU A 324
THR A 299
None
FMN  A1357 (-3.8A)
FMN  A1357 (-4.2A)
None
None
1.01A 3nrrA-4a3uA:
undetectable
3nrrA-4a3uA:
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.
4btg MAJOR INNER PROTEIN
P1


(Pseudomonas
virus phi6)
no annotation 5 PHE A  40
ALA A 293
LEU A 290
ILE A 322
SER A 326
None
1.17A 3nrrA-4btgA:
undetectable
3nrrA-4btgA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d3y LEGUMAIN

(Cricetulus
griseus)
PF01650
(Peptidase_C13)
5 ALA A 223
ILE A  79
SER A  82
LEU A 234
THR A 310
None
1.08A 3nrrA-4d3yA:
undetectable
3nrrA-4d3yA:
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.
4db1 MYOSIN-7

(Homo sapiens)
PF00063
(Myosin_head)
PF02736
(Myosin_N)
5 ALA A  11
ARG A 190
ILE A 114
PRO A 127
LEU A  16
None
None
None
ANP  A 801 (-4.2A)
None
1.22A 3nrrA-4db1A:
undetectable
3nrrA-4db1A:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e3c INHIBITOR OF NUCLEAR
FACTOR KAPPA-B
KINASE SUBUNIT BETA


(Homo sapiens)
PF00069
(Pkinase)
5 ALA A 567
LEU A 594
PRO A 262
SER A 409
LEU A 440
None
1.03A 3nrrA-4e3cA:
undetectable
3nrrA-4e3cA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE


(Homo sapiens)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63)
5 ALA B1088
LEU B1114
ILE B1046
PRO B1045
LEU B1014
None
0.99A 3nrrA-4f92B:
undetectable
3nrrA-4f92B:
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.
4g8z DIHYDROFOLATE
REDUCTASE


(Pneumocystis
jirovecii)
PF00186
(DHFR_1)
5 ALA X  12
THR X  61
ILE X  65
PRO X  66
THR X 144
NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
TOP  X 301 (-4.5A)
0.40A 3nrrA-4g8zX:
23.0
3nrrA-4g8zX:
18.11
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.
4h16 SHORT CHAIN ALCOHOL
DEHYDROGENASE-RELATE
D DEHYDROGENASE


(Sinorhizobium
meliloti)
PF13561
(adh_short_C2)
5 PHE A  52
LEU A  51
ARG A  73
ILE A  14
LEU A  30
None
1.02A 3nrrA-4h16A:
undetectable
3nrrA-4h16A:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h6q PROLINE
DEHYDROGENASE


(Deinococcus
radiodurans)
PF01619
(Pro_dh)
5 PHE A 149
ASP A 181
LEU A 179
ARG A 176
LEU A 146
None
0.81A 3nrrA-4h6qA:
undetectable
3nrrA-4h6qA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h96 DIHYDROFOLATE
REDUCTASE


(Candida
albicans)
PF00186
(DHFR_1)
5 ALA A  11
THR A  58
ILE A  62
PRO A  63
THR A 133
14Q  A 202 ( 3.7A)
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
14Q  A 202 ( 4.6A)
0.75A 3nrrA-4h96A:
20.0
3nrrA-4h96A:
18.41
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.
4h98 DIHYDROFOLATE
REDUCTASE


([Candida]
glabrata)
PF00186
(DHFR_1)
6 ALA A  11
ARG A  37
THR A  58
ILE A  62
PRO A  63
THR A 140
14Q  A 302 ( 3.4A)
None
NDP  A 301 (-3.5A)
14Q  A 302 (-4.2A)
14Q  A 302 (-4.4A)
14Q  A 302 (-4.2A)
0.50A 3nrrA-4h98A:
20.3
3nrrA-4h98A:
18.79
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.
4hts SEC-INDEPENDENT
PROTEIN TRANSLOCASE
PROTEIN TATC


(Aquifex
aeolicus)
PF00902
(TatC)
5 ALA A 203
LEU A 130
ILE A  43
PRO A  42
SER A  46
None
1.17A 3nrrA-4htsA:
undetectable
3nrrA-4htsA:
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.
4i1s MELANOMA
DIFFERENTIATION
ASSOCIATED PROTEIN-5


(Sus scrofa)
PF00271
(Helicase_C)
5 LEU A 610
THR A 558
PRO A 568
SER A 570
LEU A 554
None
1.21A 3nrrA-4i1sA:
undetectable
3nrrA-4i1sA:
17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kit PRE-MRNA-PROCESSING-
SPLICING FACTOR 8


(Homo sapiens)
PF01398
(JAB)
PF08084
(PROCT)
5 ALA C2227
LEU C2188
PRO C2232
SER C2233
THR C2226
None
1.16A 3nrrA-4kitC:
undetectable
3nrrA-4kitC:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l9a PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1393C


(Streptococcus
mutans)
no annotation 5 LEU A 275
ILE A  53
PRO A  50
SER A  52
LEU A 119
None
0.88A 3nrrA-4l9aA:
undetectable
3nrrA-4l9aA:
20.08
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.
4m2x DIHYDROFOLATE
REDUCTASE


(Mycobacterium
tuberculosis)
PF00186
(DHFR_1)
5 ALA A   7
ASP A  27
THR A  46
PRO A  51
THR A 113
TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
NDP  A 201 (-3.4A)
TMQ  A 202 (-4.2A)
TMQ  A 202 (-4.2A)
0.52A 3nrrA-4m2xA:
20.3
3nrrA-4m2xA:
15.47
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.
4py3 BARTONELLA EFFECTOR
PROTEIN (BEP)
SUBSTRATE OF VIRB
T4SS


(Bartonella sp.
1-1C)
PF02661
(Fic)
5 ASP A 121
PHE A 120
LEU A 117
THR A 162
SER A 151
None
1.12A 3nrrA-4py3A:
undetectable
3nrrA-4py3A:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4twi NAD-DEPENDENT
PROTEIN DEACYLASE 1


(Archaeoglobus
fulgidus)
PF02146
(SIR2)
5 ALA A 221
LEU A 225
THR A   8
ILE A   9
THR A 218
None
1.11A 3nrrA-4twiA:
undetectable
3nrrA-4twiA:
16.93
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.
4ut1 FLAGELLAR
HOOK-ASSOCIATED
PROTEIN


(Burkholderia
pseudomallei)
PF06429
(Flg_bbr_C)
5 LEU A 287
THR A 244
PRO A 248
SER A 249
LEU A 163
None
None
EDO  A1641 (-4.2A)
None
None
1.19A 3nrrA-4ut1A:
undetectable
3nrrA-4ut1A:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uvk ZYRO0D15994P

(Zygosaccharomyces
rouxii)
PF08514
(STAG)
5 PHE A 726
ASP A 730
LEU A 729
ARG A 687
ILE A 693
None
1.19A 3nrrA-4uvkA:
undetectable
3nrrA-4uvkA:
19.98
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.
4x0o 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 2


(Vibrio cholerae)
PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III)
5 ALA A  67
ILE A 101
PRO A 102
SER A 103
THR A   9
None
1.05A 3nrrA-4x0oA:
undetectable
3nrrA-4x0oA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cyu CONSERVED MEMBRANE
PROTEIN


(Mycolicibacterium
smegmatis)
PF05108
(T7SS_ESX1_EccB)
5 LEU A 371
ARG A 368
ILE A 364
PRO A 182
LEU A 170
None
1.21A 3nrrA-5cyuA:
undetectable
3nrrA-5cyuA:
20.78
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.
5g4x SH3 AND MULTIPLE
ANKYRIN REPEAT
DOMAINS PROTEIN 3


(Rattus
norvegicus)
PF12796
(Ank_2)
PF16511
(FERM_f0)
5 ALA A 274
LEU A 266
THR A 285
ILE A 289
LEU A 302
None
1.22A 3nrrA-5g4xA:
undetectable
3nrrA-5g4xA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gr8 LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE PEPR1


(Arabidopsis
thaliana)
PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8)
5 PHE A 168
LEU A 197
ILE A 215
PRO A 212
SER A 214
None
1.01A 3nrrA-5gr8A:
undetectable
3nrrA-5gr8A:
20.77
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.
5koh NITROGENASE FEMO
BETA SUBUNIT PROTEIN
NIFK


(Gluconacetobacter
diazotrophicus)
PF00148
(Oxidored_nitro)
PF11844
(DUF3364)
5 PHE B 207
ALA B 276
THR B 286
ILE B 222
PRO B 223
None
1.09A 3nrrA-5kohB:
undetectable
3nrrA-5kohB:
23.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m1t MUCR
PHOSPHODIESTERASE


(Pseudomonas
aeruginosa)
PF00563
(EAL)
5 LEU A 539
ILE A 587
PRO A 606
SER A 581
LEU A 529
None
1.17A 3nrrA-5m1tA:
undetectable
3nrrA-5m1tA:
17.76
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.
5m8h ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT


(Psychrobacter
arcticus)
PF13393
(tRNA-synt_His)
5 PHE A 204
LEU A 165
ARG A 164
ILE A 235
LEU A 207
None
1.07A 3nrrA-5m8hA:
undetectable
3nrrA-5m8hA:
20.66
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.
5mjr PROTEIN THF1

(Thermosynechococcus
elongatus)
PF11264
(ThylakoidFormat)
5 PHE A 142
LEU A 139
PRO A 121
LEU A 167
THR A 157
None
0.99A 3nrrA-5mjrA:
undetectable
3nrrA-5mjrA:
19.19
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.
5ncc FATTY ACID
PHOTODECARBOXYLASE


(Chlorella
variabilis)
PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C)
5 ASP A 609
ILE A 616
PRO A 617
LEU A 379
THR A 346
FAD  A 701 (-4.1A)
None
None
None
None
1.09A 3nrrA-5nccA:
undetectable
3nrrA-5nccA:
20.65
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
PHE A  32
THR A  83
PRO A  88
THR A 172
73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
73X  A 704 (-4.7A)
NDP  A 702 (-3.2A)
73X  A 704 (-4.0A)
73X  A 704 (-4.2A)
0.40A 3nrrA-5t0lA:
46.0
3nrrA-5t0lA:
42.73
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.
5tdx ANCESTRAL
HYDROXYNITRILE LYASE
1


(synthetic
construct)
no annotation 5 ALA A  87
PHE A  54
ILE A  12
SER A 177
LEU A 106
None
1.21A 3nrrA-5tdxA:
undetectable
3nrrA-5tdxA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uqd DUMPY: SHORTER THAN
WILD-TYPE


(Caenorhabditis
elegans)
no annotation 5 LEU A1227
ARG A1276
THR A1249
ILE A1251
LEU A1287
None
PG0  A1704 (-3.8A)
None
None
None
1.16A 3nrrA-5uqdA:
undetectable
3nrrA-5uqdA:
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.
5vae ACCESSORY SEC SYSTEM
PROTEIN ASP1


(Streptococcus
gordonii)
no annotation 5 PHE A   4
ALA A 234
ASP A  34
ARG A  40
LEU A  51
None
1.11A 3nrrA-5vaeA:
undetectable
3nrrA-5vaeA:
8.51
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.
5vbc PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE
ATXR5


(Ricinus
communis)
PF00856
(SET)
5 ALA A 202
LEU A 290
ARG A 334
SER A 336
LEU A 195
None
0.98A 3nrrA-5vbcA:
undetectable
3nrrA-5vbcA:
18.64
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.
5wwp ORF1AB

(Middle East
respiratory
syndrome-related
coronavirus)
no annotation 5 PHE B 133
ALA B 135
LEU B 109
ARG B 108
LEU B 130
None
1.07A 3nrrA-5wwpB:
undetectable
3nrrA-5wwpB:
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.
5x1y MERCURIC REDUCTASE

(Lysinibacillus
sphaericus)
no annotation 5 LEU B 133
ILE B 248
PRO B 249
SER B 273
LEU B 163
None
1.02A 3nrrA-5x1yB:
undetectable
3nrrA-5x1yB:
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.
5x8g 2-SUCCINYLBENZOATE--
COA LIGASE


(Bacillus
subtilis)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
5 ALA A 191
ARG A 187
ILE A 257
PRO A 254
SER A 256
None
1.16A 3nrrA-5x8gA:
undetectable
3nrrA-5x8gA:
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.
6b6m CYANATE HYDRATASE

(Serratia
proteamaculans)
no annotation 5 ALA A  57
THR A   2
ILE A  78
PRO A  79
THR A  36
None
1.18A 3nrrA-6b6mA:
undetectable
3nrrA-6b6mA:
15.07
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.
6caa ELECTROGENIC SODIUM
BICARBONATE
COTRANSPORTER 1


(Homo sapiens)
no annotation 5 LEU A 861
ILE A 688
SER A 663
LEU A 434
THR A 442
None
1.19A 3nrrA-6caaA:
undetectable
3nrrA-6caaA:
8.78
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.
6cxm DIHYDROFOLATE
REDUCTASE


(Mycolicibacterium
smegmatis)
no annotation 5 ALA A   8
ASP A  28
THR A  47
PRO A  52
THR A 111
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.4A)
0.45A 3nrrA-6cxmA:
20.2
3nrrA-6cxmA:
7.21
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.
6e4e -

(-)
no annotation 5 ALA A   7
ASP A  27
THR A  46
ILE A  50
THR A 111
MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
MMV  A 202 (-4.3A)
0.38A 3nrrA-6e4eA:
20.6
3nrrA-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.
6esq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE


(Methanothermococcus
thermolithotrophicus)
no annotation 5 THR I 325
ILE I  13
PRO I  14
SER I  44
THR I 118
None
1.21A 3nrrA-6esqI:
undetectable
3nrrA-6esqI:
10.78
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.
6ffl MALTOSE/MALTODEXTRIN
TRANSPORT PERMEASE
HOMOLOGUE


(Bdellovibrio
bacteriovorus)
no annotation 5 ALA A 168
LEU A 354
THR A 190
PRO A 368
LEU A 188
None
1.22A 3nrrA-6fflA:
undetectable
3nrrA-6fflA:
10.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6req PROTEIN
(METHYLMALONYL-COA
MUTASE)


(Propionibacterium
freudenreichii)
PF01642
(MM_CoA_mutase)
5 ALA B 124
LEU B 136
SER B 357
LEU B 129
THR B 121
None
1.21A 3nrrA-6reqB:
undetectable
3nrrA-6reqB:
20.94