SIMILAR PATTERNS OF AMINO ACIDS FOR 3NRR_B_D16B520

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 3nrrB-1aolA:
undetectable		 3nrrB-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)
 1.13A 3nrrB-1c8xA:
undetectable		 3nrrB-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
 0.59A 3nrrB-1cz3A:
18.3		 3nrrB-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.
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)
 0.58A 3nrrB-1dr6A:
24.7		 3nrrB-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
 1.09A 3nrrB-1g8xA:
undetectable		 3nrrB-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.
1j5u ARCHEASE, POSSIBLE
CHAPERONE

(Thermotoga
maritima) 		PF01951
(Archease) 		5 ALA A  62
PHE A 115
LEU A 113
ILE A  21
LEU A 108
 None
 1.22A 3nrrB-1j5uA:
undetectable		 3nrrB-1j5uA:
14.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3nrrB-1jioA:
undetectable		 3nrrB-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 3nrrB-1navA:
undetectable		 3nrrB-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.
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)
 0.55A 3nrrB-1u70A:
24.1		 3nrrB-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)
 0.34A 3nrrB-1u71A:
24.4		 3nrrB-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
 1.20A 3nrrB-1um8A:
undetectable		 3nrrB-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.
1vs3 TRNA PSEUDOURIDINE
SYNTHASE A

(Thermus
thermophilus) 		PF01416
(PseudoU_synth_1) 		5 ALA A 139
ASP A 136
LEU A 137
ILE A 114
LEU A 173
 None
 1.22A 3nrrB-1vs3A:
undetectable		 3nrrB-1vs3A:
19.49
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.
1wu2 MOLYBDOPTERIN
BIOSYNTHESIS MOEA
PROTEIN

(Pyrococcus
horikoshii) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		5 ALA A 330
LEU A 332
ILE A 378
PRO A 379
SER A 382
 None
 1.21A 3nrrB-1wu2A:
undetectable		 3nrrB-1wu2A:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.42A 3nrrB-1zdrA:
21.4		 3nrrB-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.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		5 ALA A   7
HIS A  23
ASP A  27
THR A  46
THR A 115
 None
None
None
SO4  A3483 (-3.5A)
None
 0.75A 3nrrB-1zdrA:
21.4		 3nrrB-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 630
HIS E 591
LEU E 626
ILE E 609
LEU E 642
 None
 1.20A 3nrrB-2b0oE:
undetectable		 3nrrB-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.
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
 1.19A 3nrrB-2b0oE:
undetectable		 3nrrB-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 3nrrB-2blbA:
24.2		 3nrrB-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
 1.12A 3nrrB-2ddzA:
undetectable		 3nrrB-2ddzA:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fna CONSERVED
HYPOTHETICAL PROTEIN

(Sulfolobus
solfataricus) 		PF01637
(ATPase_2) 		5 ALA A 287
HIS A 334
PHE A 280
LEU A 281
LEU A 292
 None
 1.09A 3nrrB-2fnaA:
undetectable		 3nrrB-2fnaA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g40 CONSERVED
HYPOTHETICAL PROTEIN

(Deinococcus
radiodurans) 		PF02589
(LUD_dom) 		5 ALA A  74
HIS A 150
ILE A  87
PRO A  84
LEU A  67
 None
 1.20A 3nrrB-2g40A:
undetectable		 3nrrB-2g40A:
18.76
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
ARG A  53
THR A  80
ILE A  84
THR A 178
 NAP  A 523 (-3.7A)
None
None
NAP  A 523 (-3.5A)
None
None
 0.67A 3nrrB-2h2qA:
17.2		 3nrrB-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
 0.54A 3nrrB-2h2qA:
17.2		 3nrrB-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.
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
 0.98A 3nrrB-2kxrA:
undetectable		 3nrrB-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
 1.22A 3nrrB-2nraC:
undetectable		 3nrrB-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)
 0.35A 3nrrB-2oipA:
44.3		 3nrrB-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.
2p87 PRE-MRNA-SPLICING
FACTOR PRP8

(Caenorhabditis
elegans) 		PF01398
(JAB)
PF08084
(PROCT) 		5 ALA A2220
LEU A2181
PRO A2225
SER A2226
THR A2219
 None
 1.12A 3nrrB-2p87A:
undetectable		 3nrrB-2p87A:
22.29
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.
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
 1.18A 3nrrB-2pb0A:
2.3		 3nrrB-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
 1.13A 3nrrB-2pdzA:
undetectable		 3nrrB-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.
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)
 0.52A 3nrrB-2w3wA:
22.1		 3nrrB-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 3nrrB-2w9sA:
21.6		 3nrrB-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.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ALA A   7
HIS A  23
ASP A  27
THR A  46
THR A 111
 TOP  A1160 ( 3.6A)
None
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
TOP  A1160 ( 4.5A)
 0.76A 3nrrB-2w9sA:
21.6		 3nrrB-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
 1.12A 3nrrB-2wymA:
undetectable		 3nrrB-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
 1.13A 3nrrB-2xybA:
undetectable		 3nrrB-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
 1.09A 3nrrB-2yx0A:
undetectable		 3nrrB-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.
3c5p PROTEIN BAS0735 OF
UNKNOWN FUNCTION

(Bacillus
anthracis) 		PF11579
(DUF3238) 		5 HIS A 170
ASP A 148
LEU A 182
ILE A  13
PRO A  14
 None
MG  A 301 ( 2.7A)
None
None
None
 0.94A 3nrrB-3c5pA:
undetectable		 3nrrB-3c5pA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3crn RESPONSE REGULATOR
RECEIVER DOMAIN
PROTEIN, CHEY-LIKE

(Methanospirillum
hungatei) 		PF00072
(Response_reg) 		5 ASP A 108
LEU A 109
ILE A  13
SER A  16
LEU A  50
 GOL  A 133 (-2.8A)
None
None
None
None
 1.17A 3nrrB-3crnA:
undetectable		 3nrrB-3crnA:
14.35
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.
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
 1.09A 3nrrB-3cx6A:
undetectable		 3nrrB-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) 		6 ALA A   6
HIS A  22
ASP A  26
THR A  45
PRO A  50
THR A 116
 MTX  A 164 (-3.8A)
None
MTX  A 164 ( 2.9A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.6A)
MTX  A 164 ( 4.3A)
 1.13A 3nrrB-3dfrA:
22.6		 3nrrB-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)
 0.42A 3nrrB-3dg8A:
24.7		 3nrrB-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.
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 3nrrB-3emvA:
undetectable		 3nrrB-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
 1.11A 3nrrB-3fymA:
undetectable		 3nrrB-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
 1.17A 3nrrB-3g25A:
undetectable		 3nrrB-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
 1.19A 3nrrB-3gq9A:
undetectable		 3nrrB-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)
 0.36A 3nrrB-3i8aX:
21.5		 3nrrB-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 3nrrB-3k2vA:
undetectable		 3nrrB-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) 		8 ALA A  16
ASP A  37
LEU A  41
THR A  69
ILE A  73
SER A  77
LEU A 123
THR A 144
 NAP  A 512 (-3.7A)
None
None
NAP  A 512 (-3.6A)
None
None
None
None
 0.65A 3nrrB-3kjrA:
52.4		 3nrrB-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) 		7 ALA A  16
HIS A  33
ASP A  37
LEU A  41
THR A  69
LEU A 123
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
NAP  A 512 (-3.6A)
None
None
 0.60A 3nrrB-3kjrA:
52.4		 3nrrB-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) 		8 ALA A  16
LEU A  41
THR A  69
ILE A  73
PRO A  74
SER A  77
LEU A 123
THR A 144
 NAP  A 512 (-3.7A)
None
NAP  A 512 (-3.6A)
None
None
None
None
None
 0.75A 3nrrB-3kjrA:
52.4		 3nrrB-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.
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
 1.17A 3nrrB-3lmlA:
undetectable		 3nrrB-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.
3mzv DECAPRENYL
DIPHOSPHATE SYNTHASE

(Rhodobacter
capsulatus) 		PF00348
(polyprenyl_synt) 		5 ASP A  94
LEU A  90
THR A 180
ILE A 151
SER A 148
 None
 1.16A 3nrrB-3mzvA:
undetectable		 3nrrB-3mzvA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3nrrB-3q9tA:
undetectable		 3nrrB-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)
 0.49A 3nrrB-3rg9A:
22.7		 3nrrB-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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		6 ALA A   8
HIS A  24
ASP A  28
THR A  47
ILE A  51
THR A 115
 MTX  A2001 ( 3.4A)
None
MTX  A2001 (-2.7A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 (-4.3A)
 0.72A 3nrrB-3tq9A:
22.1		 3nrrB-3tq9A:
17.61
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)
 0.64A 3nrrB-3um6A:
42.2		 3nrrB-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.
3v98 ARACHIDONATE
5-LIPOXYGENASE

(Homo sapiens) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 ALA A 426
HIS A 600
ARG A 355
THR A 590
THR A 427
 None
 1.14A 3nrrB-3v98A:
undetectable		 3nrrB-3v98A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.72A 3nrrB-3vcoA:
20.9		 3nrrB-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
 1.04A 3nrrB-4a3uA:
undetectable		 3nrrB-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.
4d3y LEGUMAIN

(Cricetulus
griseus) 		PF01650
(Peptidase_C13) 		5 ALA A 223
ILE A  79
SER A  82
LEU A 234
THR A 310
 None
 1.11A 3nrrB-4d3yA:
undetectable		 3nrrB-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.
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
 0.97A 3nrrB-4e3cA:
undetectable		 3nrrB-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.
4f7z RAP GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 4

(Mus musculus) 		PF00027
(cNMP_binding)
PF00610
(DEP)
PF00617
(RasGEF)
PF00618
(RasGEF_N) 		5 ALA A  85
LEU A 135
ARG A 137
ILE A  68
LEU A  88
 None
 0.95A 3nrrB-4f7zA:
undetectable		 3nrrB-4f7zA:
19.39
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.
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
 1.01A 3nrrB-4f92B:
undetectable		 3nrrB-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)
 0.41A 3nrrB-4g8zX:
23.9		 3nrrB-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
 0.94A 3nrrB-4h16A:
undetectable		 3nrrB-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.
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)
 0.78A 3nrrB-4h96A:
20.8		 3nrrB-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)
 0.53A 3nrrB-4h98A:
21.1		 3nrrB-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.
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
 1.20A 3nrrB-4kitC:
undetectable		 3nrrB-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
 0.92A 3nrrB-4l9aA:
undetectable		 3nrrB-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.
4m29 BETA-XYLOSIDASE

(Caulobacter
vibrioides) 		PF01229
(Glyco_hydro_39) 		5 ALA A 202
PHE A 212
THR A 185
SER A 219
THR A 203
 None
 1.20A 3nrrB-4m29A:
undetectable		 3nrrB-4m29A:
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.
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)
 0.54A 3nrrB-4m2xA:
21.2		 3nrrB-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.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ALA A   7
HIS A  23
ASP A  27
THR A  46
THR A 116
 RAR  A 200 ( 3.6A)
None
RAR  A 200 (-2.6A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.4A)
 0.78A 3nrrB-4m7vA:
21.0		 3nrrB-4m7vA:
14.96
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.
4nk6 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13229
(Beta_helix) 		5 HIS A 339
LEU A 391
ARG A 413
ILE A 381
LEU A 399
 MLY  A 338 ( 4.2A)
None
None
None
None
 1.07A 3nrrB-4nk6A:
undetectable		 3nrrB-4nk6A:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ozy POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13229
(Beta_helix) 		5 HIS A 339
LEU A 391
ARG A 413
ILE A 381
LEU A 399
 None
 1.02A 3nrrB-4ozyA:
undetectable		 3nrrB-4ozyA:
23.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
THR A  46
ILE A  50
THR A 113
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
MTX  A 201 ( 4.5A)
 0.36A 3nrrB-4p68A:
21.9		 3nrrB-4p68A:
15.18
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.
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
 1.13A 3nrrB-4py3A:
undetectable		 3nrrB-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.
4qd2 HEMAGGLUTININ
COMPONENT HA70

(Clostridium
botulinum) 		PF03505
(Clenterotox) 		5 HIS A 524
LEU A 557
ILE A 543
PRO A 544
SER A 553
 None
 1.21A 3nrrB-4qd2A:
undetectable		 3nrrB-4qd2A:
20.69
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.
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
 1.13A 3nrrB-4twiA:
2.0		 3nrrB-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
 1.22A 3nrrB-4ut1A:
undetectable		 3nrrB-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.
4w5j ADENYLATE KINASE

(Streptococcus
pneumoniae) 		PF00406
(ADK) 		5 ASP A  98
LEU A  97
ILE A  77
SER A  73
LEU A  84
 None
 1.22A 3nrrB-4w5jA:
2.6		 3nrrB-4w5jA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.08A 3nrrB-4x0oA:
undetectable		 3nrrB-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.
5cd6 TPR-DOMAIN
CONTAINING PROTEIN

(Parabacteroides
distasonis) 		PF17128
(DUF5107) 		5 THR A 478
ILE A 482
PRO A 483
SER A 486
THR A 435
 None
 1.21A 3nrrB-5cd6A:
undetectable		 3nrrB-5cd6A:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e0q NUCLEAR PORE COMPLEX
PROTEIN NUP98-NUP96

(Xenopus
tropicalis) 		PF04096
(Nucleoporin2) 		5 HIS B 779
ASP B 775
LEU B 774
ILE B 761
THR B 723
 None
 1.18A 3nrrB-5e0qB:
undetectable		 3nrrB-5e0qB:
14.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5glj TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 13

(Homo sapiens) 		PF00595
(PDZ) 		5 HIS A1157
LEU A1164
ILE A1123
SER A1125
LEU A1173
 None
None
None
CL  A1202 (-3.0A)
None
 1.02A 3nrrB-5gljA:
undetectable		 3nrrB-5gljA:
11.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3nrrB-5gr8A:
undetectable		 3nrrB-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.
5gw7 GLUCOSIDASE YGJK

(Escherichia
coli) 		PF01204
(Trehalase) 		5 ALA A 668
PHE A 602
PRO A 634
LEU A 664
THR A 670
 None
 1.21A 3nrrB-5gw7A:
undetectable		 3nrrB-5gw7A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j1s TORSIN-1A-INTERACTIN
G PROTEIN 2

(Homo sapiens) 		PF05609
(LAP1C) 		5 ALA B 300
HIS B 365
LEU B 311
ILE B 296
LEU B 273
 None
 1.05A 3nrrB-5j1sB:
undetectable		 3nrrB-5j1sB:
17.51
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.
5mjr PROTEIN THF1

(Thermosynechococcus
elongatus) 		PF11264
(ThylakoidFormat) 		5 PHE A 142
LEU A 139
PRO A 121
LEU A 167
THR A 157
 None
 1.04A 3nrrB-5mjrA:
undetectable		 3nrrB-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.
5n4a INTRAFLAGELLAR
TRANSPORT PROTEIN 80

(Chlamydomonas
reinhardtii) 		no annotation 5 HIS A 384
LEU A 379
ILE A 394
PRO A 407
LEU A 377
 None
 0.99A 3nrrB-5n4aA:
undetectable		 3nrrB-5n4aA:
10.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3nrrB-5nccA:
undetectable		 3nrrB-5nccA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oo7 SLA2

(Chaetomium
thermophilum) 		no annotation 5 ALA A 194
PHE A 243
ILE A 259
PRO A 260
LEU A 250
 None
 1.17A 3nrrB-5oo7A:
undetectable		 3nrrB-5oo7A:
8.91
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) 		7 ALA A  10
HIS A  27
ASP A  31
PHE A  32
THR A  83
PRO A  88
THR A 172
 73X  A 704 (-4.0A)
None
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)
 0.58A 3nrrB-5t0lA:
46.2		 3nrrB-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
 1.18A 3nrrB-5tdxA:
undetectable		 3nrrB-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
 1.09A 3nrrB-5uqdA:
undetectable		 3nrrB-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.
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
 0.95A 3nrrB-5vbcA:
undetectable		 3nrrB-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.
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
 1.09A 3nrrB-5x8gA:
undetectable		 3nrrB-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.
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
 1.20A 3nrrB-6caaA:
undetectable		 3nrrB-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)
 0.48A 3nrrB-6cxmA:
21.0		 3nrrB-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 3nrrB-6e4eA:
21.5		 3nrrB-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
 1.18A 3nrrB-6esqI:
undetectable		 3nrrB-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
 1.20A 3nrrB-6fflA:
undetectable		 3nrrB-6fflA:
10.09