SIMILAR PATTERNS OF AMINO ACIDS FOR 4AWU_A_4CHA502

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.
1fw3 OUTER MEMBRANE
PHOSPHOLIPASE A

(Escherichia
coli) 		PF02253
(PLA1) 		4 THR A 112
TYR A  92
LEU A  71
PHE A 109
 None
S1H  A 144 ( 3.8A)
None
None
 1.07A 4awuA-1fw3A:
undetectable		 4awuA-1fw3A:
23.77
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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA
FORMATE
DEHYDROGENASE
SUBUNIT BETA

(Desulfovibrio
gigas;
Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
PF13247
(Fer4_11) 		4 THR A 228
HIS A 218
ASN A 194
PHE B  67
 None
None
MGD  A1002 (-4.3A)
None
 1.39A 4awuA-1h0hA:
undetectable		 4awuA-1h0hA:
16.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		4 THR A  37
TRP A 112
HIS A 187
TYR A 192
 2PE  A 503 ( 3.4A)
None
FMN  A 501 (-3.7A)
2PE  A 503 (-4.9A)
 0.37A 4awuA-1icpA:
52.7		 4awuA-1icpA:
39.01
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.
1jvr HUMAN T-CELL
LEUKEMIA VIRUS TYPE
II MATRIX PROTEIN

(Primate
T-lymphotropic
virus 2) 		PF02228
(Gag_p19) 		4 TRP A  24
ASN A  26
LEU A  87
PHE A  49
 None
 1.20A 4awuA-1jvrA:
undetectable		 4awuA-1jvrA:
17.27
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.
1jxi PHOSPHOMETHYLPYRIMID
INE KINASE

(Salmonella
enterica) 		PF08543
(Phos_pyr_kin) 		4 THR A  26
TRP A 239
HIS A 263
LEU A 244
 None
 1.37A 4awuA-1jxiA:
3.6		 4awuA-1jxiA:
23.12
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.
1k7s FERRICHROME-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF01497
(Peripla_BP_2) 		4 THR N 180
ASN N 208
LEU N 201
PHE N 238
 None
 1.16A 4awuA-1k7sN:
undetectable		 4awuA-1k7sN:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kop CARBONIC ANHYDRASE

(Neisseria
gonorrhoeae) 		PF00194
(Carb_anhydrase) 		4 HIS A 195
ASN A 134
LEU A 137
PHE A 112
 SO4  A 311 (-4.2A)
SO4  A 311 (-4.0A)
None
None
 1.38A 4awuA-1kopA:
undetectable		 4awuA-1kopA:
21.83
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.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 THR A 117
TYR A 123
LEU A 239
PHE A  93
 5CA  A 512 (-3.5A)
None
None
None
 1.32A 4awuA-1nj1A:
undetectable		 4awuA-1nj1A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ocm MALONAMIDASE E2

(Bradyrhizobium
japonicum) 		PF01425
(Amidase) 		4 THR A 165
HIS A 122
ASN A 120
PHE A 193
 None
 1.36A 4awuA-1ocmA:
undetectable		 4awuA-1ocmA:
24.38
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.
1t6p PHENYLALANINE
AMMONIA-LYASE

(Rhodotorula
toruloides) 		PF00221
(Lyase_aromatic) 		4 HIS A 527
ASN A 436
LEU A 435
PHE A 311
 None
 1.18A 4awuA-1t6pA:
undetectable		 4awuA-1t6pA:
19.03
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.
1t77 LIPOPOLYSACCHARIDE-R
ESPONSIVE AND
BEIGE-LIKE ANCHOR
PROTEIN

(Homo sapiens) 		PF02138
(Beach)
PF14844
(PH_BEACH) 		4 TRP A2347
ASN A2252
TYR A2253
LEU A2258
 None
 1.28A 4awuA-1t77A:
undetectable		 4awuA-1t77A:
22.00
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.
1u0u DIHYDROPINOSYLVIN
SYNTHASE

(Pinus
sylvestris) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 THR A  46
HIS A  50
ASN A  51
LEU A  54
 None
 1.36A 4awuA-1u0uA:
undetectable		 4awuA-1u0uA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w7c LYSYL OXIDASE

(Komagataella
pastoris) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF09248
(DUF1965) 		4 THR A 394
TYR A 401
LEU A 174
PHE A 390
 None
IMD  A 821 ( 3.2A)
None
None
 1.22A 4awuA-1w7cA:
undetectable		 4awuA-1w7cA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yoz HYPOTHETICAL PROTEIN
AF0941

(Archaeoglobus
fulgidus) 		PF14591
(AF0941-like) 		4 THR A  77
ASN A  15
TYR A  13
LEU A  18
 None
 0.99A 4awuA-1yozA:
undetectable		 4awuA-1yozA:
13.87
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.
1z63 HELICASE OF THE
SNF2/RAD54 FAMILY

(Sulfolobus
solfataricus) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		4 THR A 838
TRP A 828
HIS A 824
LEU A 816
 None
 1.28A 4awuA-1z63A:
undetectable		 4awuA-1z63A:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2abk ENDONUCLEASE III

(Escherichia
coli) 		PF00633
(HHH)
PF00730
(HhH-GPD)
PF10576
(EndIII_4Fe-2S) 		4 THR A  22
HIS A 176
ASN A 127
PHE A  26
 None
 1.30A 4awuA-2abkA:
undetectable		 4awuA-2abkA:
21.11
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.
2afh NITROGENASE
MOLYBDENUM-IRON
PROTEIN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		4 THR B 209
HIS B 311
ASN B 225
LEU B 254
 None
 1.34A 4awuA-2afhB:
undetectable		 4awuA-2afhB:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bfr HYPOTHETICAL PROTEIN
AF1521

(Archaeoglobus
fulgidus) 		PF01661
(Macro) 		4 THR A 155
TRP A 108
LEU A 149
PHE A 120
 None
 1.01A 4awuA-2bfrA:
undetectable		 4awuA-2bfrA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e5v L-ASPARTATE OXIDASE

(Sulfurisphaera
tokodaii) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 THR A  73
HIS A 344
ASN A 352
LEU A 355
 None
 1.15A 4awuA-2e5vA:
undetectable		 4awuA-2e5vA:
22.00
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.
2gn4 UDP-GLCNAC C6
DEHYDRATASE

(Helicobacter
pylori) 		PF02719
(Polysacc_synt_2) 		4 THR A 164
ASN A 121
LEU A  78
PHE A 166
 None
 1.34A 4awuA-2gn4A:
undetectable		 4awuA-2gn4A:
21.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gou OXIDOREDUCTASE,
FMN-BINDING

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		6 THR A  26
TRP A 102
HIS A 181
ASN A 184
TYR A 186
PHE A 350
 PE4  A4124 ( 3.7A)
None
FMN  A4401 (-3.4A)
FMN  A4401 (-4.6A)
None
PE4  A4124 (-4.2A)
 0.24A 4awuA-2gouA:
67.2		 4awuA-2gouA:
99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gou OXIDOREDUCTASE,
FMN-BINDING

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		4 TRP A 102
HIS A 181
TYR A 186
PHE A 132
 None
FMN  A4401 (-3.4A)
None
None
 1.33A 4awuA-2gouA:
67.2		 4awuA-2gouA:
99.73
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.
2hyx PROTEIN DIPZ

(Mycobacterium
tuberculosis) 		PF00578
(AhpC-TSA) 		4 THR A 571
ASN A 630
LEU A 600
PHE A 573
 None
 1.37A 4awuA-2hyxA:
undetectable		 4awuA-2hyxA:
24.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i5g AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01244
(Peptidase_M19) 		4 THR A  41
HIS A 160
TYR A 121
LEU A 263
 None
 1.24A 4awuA-2i5gA:
6.1		 4awuA-2i5gA:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ln8 THEROMACIN

(Hirudo
medicinalis) 		PF14865
(Macin) 		4 THR A  13
TRP A   6
ASN A  54
LEU A  51
 None
 1.09A 4awuA-2ln8A:
undetectable		 4awuA-2ln8A:
11.41
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.
2o6q VARIABLE LYMPHOCYTE
RECEPTOR A

(Eptatretus
burgeri) 		PF13855
(LRR_8) 		4 TRP A 239
ASN A 213
LEU A 191
PHE A 199
 None
 1.34A 4awuA-2o6qA:
undetectable		 4awuA-2o6qA:
17.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3o 12-OXOPHYTODIENOATE
REDUCTASE 3

(Arabidopsis
thaliana) 		PF00724
(Oxidored_FMN) 		5 THR A  33
TRP A 108
HIS A 186
TYR A 191
LEU A 246
 FMN  A7401 (-3.8A)
FMN  A7401 ( 4.6A)
FMN  A7401 (-3.3A)
None
None
 1.33A 4awuA-2q3oA:
53.9		 4awuA-2q3oA:
42.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3r 12-OXOPHYTODIENOATE
REDUCTASE 1

(Arabidopsis
thaliana) 		PF00724
(Oxidored_FMN) 		4 THR A  33
HIS A 183
ASN A 186
TYR A 188
 FMN  A 373 (-3.8A)
FMN  A 373 (-3.8A)
FMN  A 373 ( 4.9A)
None
 0.50A 4awuA-2q3rA:
50.4		 4awuA-2q3rA:
40.62
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.
2qgm SUCCINOGLYCAN
BIOSYNTHESIS PROTEIN

(Bacillus cereus) 		PF05139
(Erythro_esteras) 		4 THR A 439
HIS A 435
ASN A 375
LEU A 408
 None
 1.34A 4awuA-2qgmA:
undetectable		 4awuA-2qgmA:
22.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r14 MORPHINONE REDUCTASE

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		5 THR A  32
TRP A 106
HIS A 186
ASN A 189
LEU A 245
 FMN  A 401 ( 3.8A)
TXD  A 600 (-3.8A)
FMN  A 401 ( 3.6A)
TXD  A 600 ( 3.9A)
TXD  A 600 ( 4.8A)
 0.89A 4awuA-2r14A:
56.4		 4awuA-2r14A:
49.60
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.
2rag DIPEPTIDASE

(Caulobacter
vibrioides) 		PF01244
(Peptidase_M19) 		4 THR A  56
TRP A  65
HIS A  71
PHE A  95
 None
 1.28A 4awuA-2ragA:
7.4		 4awuA-2ragA:
25.67
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.
2rob CALMODULIN

(Glycine max) 		PF13499
(EF-hand_7) 		4 HIS A 107
ASN A 111
LEU A 112
PHE A 141
 None
 1.12A 4awuA-2robA:
undetectable		 4awuA-2robA:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vf1 CAPSID PROTEIN

(Rabbit
picobirnavirus) 		no annotation 4 TRP A 380
ASN A 375
LEU A 518
PHE A 449
 None
 1.39A 4awuA-2vf1A:
undetectable		 4awuA-2vf1A:
22.52
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.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Thermosynechococcus
elongatus) 		PF00148
(Oxidored_nitro) 		4 THR B 332
ASN B 130
TYR B 336
LEU B 132
 None
 1.39A 4awuA-2xdqB:
undetectable		 4awuA-2xdqB:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y35 LD22664P

(Drosophila
melanogaster) 		PF03159
(XRN_N) 		4 HIS A 199
ASN A  31
TYR A  33
LEU A  80
 None
 1.21A 4awuA-2y35A:
undetectable		 4awuA-2y35A:
15.67
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.
2yrr AMINOTRANSFERASE,
CLASS V

(Thermus
thermophilus) 		PF00266
(Aminotran_5) 		4 THR A 232
HIS A 238
ASN A  35
LEU A  32
 None
 1.38A 4awuA-2yrrA:
undetectable		 4awuA-2yrrA:
25.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z7x TOLL-LIKE RECEPTOR
1, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		4 THR B 332
ASN B 382
LEU B 360
PHE B 331
 None
 1.34A 4awuA-2z7xB:
undetectable		 4awuA-2z7xB:
20.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aty PROSTAGLANDIN F2A
SYNTHASE

(Trypanosoma
cruzi) 		PF00724
(Oxidored_FMN) 		4 THR A  28
HIS A 195
ASN A 198
TYR A 200
 FMN  A 500 (-3.7A)
FMN  A 500 (-3.6A)
FMN  A 500 (-4.2A)
None
 0.22A 4awuA-3atyA:
53.2		 4awuA-3atyA:
37.47
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.
3c2g SYS-1 PROTEIN

(Caenorhabditis
elegans) 		no annotation 4 THR A 653
ASN A 585
LEU A 584
PHE A 655
 None
 1.38A 4awuA-3c2gA:
undetectable		 4awuA-3c2gA:
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.
3e6c CYCLIC
NUCLEOTIDE-BINDING
PROTEIN

(Desulfitobacterium
hafniense) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		4 ASN C 129
TYR C 130
LEU C  83
PHE C 116
 None
3C4  C 604 (-4.7A)
None
None
 1.39A 4awuA-3e6cC:
undetectable		 4awuA-3e6cC:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fqd 5'-3'
EXORIBONUCLEASE 2

(Schizosaccharomyces
pombe) 		PF03159
(XRN_N) 		4 HIS A 229
ASN A  51
TYR A  53
LEU A  98
 None
 1.14A 4awuA-3fqdA:
undetectable		 4awuA-3fqdA:
18.71
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.
3g0i EPOXIDE HYDROLASE

(Aspergillus
niger) 		PF06441
(EHN) 		4 HIS A 255
TYR A 251
LEU A 249
PHE A 196
 None
VPR  A   1 (-4.2A)
None
VPR  A   1 (-4.3A)
 1.32A 4awuA-3g0iA:
2.6		 4awuA-3g0iA:
22.97
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.
3get HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Campylobacter
jejuni) 		PF00155
(Aminotran_1_2) 		4 THR A 132
HIS A 137
ASN A 162
LEU A 165
 None
 1.22A 4awuA-3getA:
2.3		 4awuA-3getA:
21.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gka N-ETHYLMALEIMIDE
REDUCTASE

(Burkholderia
pseudomallei) 		PF00724
(Oxidored_FMN) 		5 THR A  33
TRP A 108
HIS A 181
ASN A 184
TYR A 186
 FMN  A 362 (-3.8A)
None
FMN  A 362 (-3.7A)
FMN  A 362 (-4.4A)
None
 0.30A 4awuA-3gkaA:
54.7		 4awuA-3gkaA:
45.74
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.
3h1l CYTOCHROME B
MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
C REDUCTASE 14 KDA
PROTEIN

(Gallus gallus;
Gallus gallus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B)
PF02271
(UCR_14kD) 		4 THR C 317
ASN C  27
LEU F  66
PHE C 318
 PEE  C2007 (-3.3A)
None
None
None
 1.34A 4awuA-3h1lC:
undetectable		 4awuA-3h1lC:
21.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3hgo 12-OXOPHYTODIENOATE
REDUCTASE 3

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		4 THR A  33
TRP A 108
HIS A 185
TYR A 190
 FMN  A 401 (-3.8A)
FMN  A 401 ( 4.7A)
FMN  A 401 (-3.4A)
None
 0.25A 4awuA-3hgoA:
54.5		 4awuA-3hgoA:
41.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3hgo 12-OXOPHYTODIENOATE
REDUCTASE 3

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		4 TRP A 108
HIS A 185
TYR A 190
LEU A 245
 FMN  A 401 ( 4.7A)
FMN  A 401 (-3.4A)
None
None
 1.22A 4awuA-3hgoA:
54.5		 4awuA-3hgoA:
41.58
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.
3ial PROLYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 THR A 146
TYR A 152
LEU A 268
PHE A 122
 PR8  A 601 (-4.0A)
None
None
None
 1.23A 4awuA-3ialA:
undetectable		 4awuA-3ialA:
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.
3v1v 2-METHYLISOBORNEOL
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 4 THR A 342
ASN A 362
TYR A 296
PHE A 305
 GST  A 511 ( 4.4A)
None
None
GST  A 511 (-3.5A)
 1.32A 4awuA-3v1vA:
undetectable		 4awuA-3v1vA:
24.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v7i PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N) 		4 HIS A 312
ASN A 346
TYR A 342
LEU A 224
 None
 1.37A 4awuA-3v7iA:
undetectable		 4awuA-3v7iA:
25.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wjs NADH OXIDASE

(Gluconobacter
oxydans) 		PF00724
(Oxidored_FMN) 		5 THR A  25
TRP A 100
HIS A 172
ASN A 175
TYR A 177
 None
None
None
HG  A 403 (-4.7A)
None
 0.82A 4awuA-3wjsA:
43.6		 4awuA-3wjsA:
43.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4a3u NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Zymomonas
mobilis) 		PF00724
(Oxidored_FMN) 		5 THR A  25
TRP A 100
HIS A 172
ASN A 175
TYR A 177
 NCA  A1359 ( 3.2A)
None
FMN  A1357 ( 3.6A)
NCA  A1359 ( 3.3A)
NCA  A1359 (-4.5A)
 0.28A 4awuA-4a3uA:
56.0		 4awuA-4a3uA:
43.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ab4 XENOBIOTIC REDUCTASE
B

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		5 THR A  25
TRP A 100
HIS A 173
ASN A 176
TYR A 178
 FMN  A1351 (-3.8A)
None
FMN  A1351 ( 3.6A)
TNL  A1357 ( 3.6A)
TNL  A1357 (-4.7A)
 0.26A 4awuA-4ab4A:
55.0		 4awuA-4ab4A:
47.27
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.
4bzk PROTEIN TRANSPORT
PROTEIN SEC31

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12931
(Sec16_C) 		4 THR A 675
TYR A 667
LEU A 412
PHE A 706
 None
 1.38A 4awuA-4bzkA:
undetectable		 4awuA-4bzkA:
14.04
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.
4epi PESTICIN, LYSOZYME
CHIMERA

(Yersinia
pestis;
Escherichia
virus T4) 		PF00959
(Phage_lysozyme) 		4 THR A 317
TRP A 323
LEU A 172
PHE A 318
 None
 1.38A 4awuA-4epiA:
undetectable		 4awuA-4epiA:
22.05
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.
4fus RTX TOXINS AND
RELATED CA2+-BINDING
PROTEIN

(Hahella
chejuensis) 		PF02011
(Glyco_hydro_48) 		4 THR A 217
HIS A 220
ASN A 204
LEU A 181
 None
 1.31A 4awuA-4fusA:
undetectable		 4awuA-4fusA:
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.
4gl2 INTERFERON-INDUCED
HELICASE C
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		4 THR A 488
HIS A 447
ASN A 364
TYR A 454
 None
 1.26A 4awuA-4gl2A:
undetectable		 4awuA-4gl2A:
20.99
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.
4i4k UNCHARACTERIZED
PROTEIN SGCJ

(Streptomyces
globisporus) 		PF14534
(DUF4440) 		4 TRP A 118
ASN A 134
TYR A 132
LEU A  49
 PG4  A 202 (-4.8A)
PG4  A 202 (-3.4A)
PG4  A 202 (-4.5A)
PG4  A 202 ( 4.6A)
 1.35A 4awuA-4i4kA:
undetectable		 4awuA-4i4kA:
19.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jip GTN REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		5 THR A  25
TRP A  99
HIS A 178
ASN A 181
TYR A 183
 FMN  A 401 ( 3.6A)
None
FMN  A 401 ( 3.6A)
HBA  A 402 ( 3.8A)
HBA  A 402 (-4.3A)
 0.21A 4awuA-4jipA:
56.7		 4awuA-4jipA:
45.74
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.
4kmz FOLATE RECEPTOR BETA

(Homo sapiens) 		PF03024
(Folate_rec) 		4 THR A 145
TRP A 154
ASN A  79
PHE A 172
 None
 1.28A 4awuA-4kmzA:
undetectable		 4awuA-4kmzA:
18.03
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.
4ojz PUTATIVE ALGINATE
LYASE

(Saccharophagus
degradans) 		PF05426
(Alginate_lyase)
PF07940
(Hepar_II_III) 		4 TRP A 145
HIS A  86
ASN A 441
LEU A 440
 None
None
BEM  A 804 ( 4.7A)
None
 1.39A 4awuA-4ojzA:
undetectable		 4awuA-4ojzA:
20.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE

(Aspergillus
fumigatus) 		PF00724
(Oxidored_FMN) 		4 THR A  31
HIS A 173
ASN A 176
TYR A 178
 FMN  A 401 (-3.9A)
FMN  A 401 (-3.6A)
FMN  A 401 (-4.6A)
None
 0.31A 4awuA-4qnwA:
49.1		 4awuA-4qnwA:
41.18
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.
4rnw NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		5 THR A 136
TRP A 215
HIS A 290
ASN A 293
TYR A 295
 FMN  A 401 (-3.7A)
None
FMN  A 401 ( 3.5A)
EDO  A 403 ( 3.7A)
EPE  A 402 (-4.4A)
 0.22A 4awuA-4rnwA:
8.0		 4awuA-4rnwA:
27.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rnx NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		5 THR A 285
TRP A 364
HIS A  40
ASN A  43
TYR A  45
 FMN  A 501 (-3.7A)
FMN  A 501 ( 4.9A)
FMN  A 501 (-3.5A)
FMN  A 501 (-4.2A)
None
 0.32A 4awuA-4rnxA:
7.2		 4awuA-4rnxA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tkx LYS-GINGIPAIN W83

(Porphyromonas
gingivalis) 		PF01364
(Peptidase_C25)
PF03785
(Peptidase_C25_C) 		4 THR L 544
ASN L 440
LEU L 383
PHE L 545
 None
 1.24A 4awuA-4tkxL:
undetectable		 4awuA-4tkxL:
22.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tmc OLD YELLOW ENZYME

(Kluyveromyces
marxianus) 		PF00724
(Oxidored_FMN) 		5 THR A  37
TRP A 116
HIS A 191
ASN A 194
TYR A 196
 FMN  A 501 ( 3.7A)
HBA  A 502 (-4.3A)
FMN  A 501 ( 3.7A)
HBA  A 502 ( 3.6A)
HBA  A 502 (-4.5A)
 0.36A 4awuA-4tmcA:
49.0		 4awuA-4tmcA:
37.10
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.
4utf GLYCOSYL HYDROLASE
FAMILY 71

(Bacteroides
xylanisolvens) 		PF16317
(Glyco_hydro_99) 		4 THR A 329
HIS A 154
TYR A 195
LEU A 229
 None
IFM  A 501 (-4.1A)
IFM  A 501 ( 3.6A)
None
 1.15A 4awuA-4utfA:
4.3		 4awuA-4utfA:
22.07
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.
4wov NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 THR A 658
HIS A 732
ASN A 739
PHE A 655
 None
None
SO4  A 903 (-3.9A)
None
 1.40A 4awuA-4wovA:
undetectable		 4awuA-4wovA:
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.
4xfj ARGININOSUCCINATE
SYNTHASE

(Mycolicibacterium
thermoresistibile) 		PF00764
(Arginosuc_synth) 		4 THR A 331
HIS A 284
ASN A  80
PHE A 327
 None
 1.23A 4awuA-4xfjA:
undetectable		 4awuA-4xfjA:
21.41
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.
4xgk UDP-GALACTOPYRANOSE
MUTASE

(Corynebacterium
diphtheriae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		4 HIS A  56
TYR A 200
LEU A 195
PHE A 188
 None
 1.31A 4awuA-4xgkA:
undetectable		 4awuA-4xgkA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yfm BETA-LACTAMASE

(Mycobacteroides
abscessus) 		PF13354
(Beta-lactamase2) 		4 THR A  75
ASN A 243
LEU A 261
PHE A  76
 None
 1.35A 4awuA-4yfmA:
undetectable		 4awuA-4yfmA:
21.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ync NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		4 THR A  37
HIS A 191
ASN A 194
TYR A 196
 4EG  A 402 ( 3.4A)
FMN  A 401 (-3.6A)
4EG  A 402 ( 3.0A)
4EG  A 402 (-3.7A)
 0.42A 4awuA-4yncA:
49.1		 4awuA-4yncA:
38.12
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.
5cw5 BRCA1/BRCA2-CONTAINI
NG COMPLEX SUBUNIT 3

(Camponotus
floridanus) 		PF01398
(JAB) 		4 THR A 172
HIS A  22
TYR A  93
LEU A  52
 None
 1.30A 4awuA-5cw5A:
undetectable		 4awuA-5cw5A:
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.
5cze PLASMID
STABILIZATION
PROTEIN PARE

(Escherichia
coli) 		PF05016
(ParE_toxin) 		4 HIS B  65
ASN B  67
TYR B  68
PHE B  24
 None
 1.04A 4awuA-5czeB:
undetectable		 4awuA-5czeB:
12.50
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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCON1
CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCOP1

(Pseudomonas
stutzeri;
Pseudomonas
stutzeri) 		PF00115
(COX1)
PF13442
(Cytochrome_CBB3)
PF14715
(FixP_N) 		4 ASN C 141
TYR C 142
LEU A 419
PHE C 114
 None
 1.18A 4awuA-5djqC:
undetectable		 4awuA-5djqC:
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.
5dse TETRATRICOPEPTIDE
REPEAT PROTEIN 7B

(Homo sapiens) 		PF12895
(ANAPC3)
PF13181
(TPR_8)
PF13424
(TPR_12) 		4 ASN A 582
TYR A 579
LEU A 585
PHE A 519
 None
 1.13A 4awuA-5dseA:
undetectable		 4awuA-5dseA:
19.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxx ARTEMISINIC ALDEHYDE
DELTA(11(13))
REDUCTASE

(Artemisia annua) 		PF00724
(Oxidored_FMN) 		4 THR A  28
TRP A 103
HIS A 180
TYR A 185
 FMN  A7401 (-3.9A)
FMN  A7401 ( 4.9A)
FMN  A7401 (-3.4A)
None
 0.31A 4awuA-5dxxA:
54.3		 4awuA-5dxxA:
39.95
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.
5e4r KETOL-ACID
REDUCTOISOMERASE

(Ignisphaera
aggregans) 		PF01450
(IlvC)
PF07991
(IlvN) 		4 THR A 188
TYR A 366
LEU A 279
PHE A 114
 None
 1.26A 4awuA-5e4rA:
undetectable		 4awuA-5e4rA:
20.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5epd GLYCEROL TRINITRATE
REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		6 THR A  27
TRP A 102
HIS A 176
ASN A 179
TYR A 181
PHE A 345
 None
 0.36A 4awuA-5epdA:
54.0		 4awuA-5epdA:
46.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f1m PHOSPHORYLATED
PROTEIN PHOSPHATASE

(Staphylococcus
aureus) 		PF13672
(PP2C_2) 		4 THR A 135
ASN A 142
LEU A 146
PHE A 179
 None
 1.39A 4awuA-5f1mA:
undetectable		 4awuA-5f1mA:
19.84
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.
5fir 5'-3'
EXORIBONUCLEASE 2
HOMOLOG

(Caenorhabditis
elegans) 		PF03159
(XRN_N) 		4 HIS A 228
ASN A  50
TYR A  52
LEU A  97
 None
 1.22A 4awuA-5firA:
undetectable		 4awuA-5firA:
20.61
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.
5fq6 PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		4 THR A 239
HIS A 248
ASN A 247
TYR A  58
 None
 1.22A 4awuA-5fq6A:
undetectable		 4awuA-5fq6A:
22.60
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.
5h9d HEPTAPRENYL
DIPHOSPHATE SYNTHASE
(HEPPP SYNTHASE)
SUBUNIT 1 FAMILY
PROTEIN

(Staphylococcus
aureus) 		PF07307
(HEPPP_synt_1) 		4 ASN C 169
TYR C 168
LEU C 177
PHE C 154
 None
 1.16A 4awuA-5h9dC:
undetectable		 4awuA-5h9dC:
17.42
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.
5jxr CHROMATIN-REMODELING
COMPLEX ATPASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		4 HIS A 466
ASN A 488
TYR A 468
PHE A 528
 None
 1.36A 4awuA-5jxrA:
undetectable		 4awuA-5jxrA:
20.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 THR A  35
TRP A 110
HIS A 182
ASN A 185
TYR A 187
 TNF  A 401 ( 3.4A)
TNF  A 401 (-3.5A)
TNF  A 401 ( 3.5A)
TNF  A 401 ( 3.0A)
TNF  A 401 (-3.6A)
 0.40A 4awuA-5k1uA:
49.2		 4awuA-5k1uA:
41.67
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.
5kc7 CEREBELLIN-1

(Homo sapiens) 		PF00386
(C1q) 		4 THR A 103
ASN A 134
LEU A 133
PHE A 185
 None
 1.38A 4awuA-5kc7A:
undetectable		 4awuA-5kc7A:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kca CEREBELLIN-1,CEREBEL
LIN-1,CEREBELLIN-1,G
LUTAMATE RECEPTOR
IONOTROPIC, DELTA-2

(Homo sapiens) 		PF00386
(C1q)
PF01094
(ANF_receptor) 		4 THR A 103
ASN A 134
LEU A 133
PHE A 185
 None
 1.38A 4awuA-5kcaA:
undetectable		 4awuA-5kcaA:
17.55
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.
5kca CEREBELLIN-1,CEREBEL
LIN-1,CEREBELLIN-1,G
LUTAMATE RECEPTOR
IONOTROPIC, DELTA-2

(Homo sapiens) 		PF00386
(C1q)
PF01094
(ANF_receptor) 		4 THR A 245
ASN A 276
LEU A 275
PHE A 327
 None
 1.37A 4awuA-5kcaA:
undetectable		 4awuA-5kcaA:
17.55
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.
5kwr CEREBELLIN-1

(Rattus
norvegicus) 		PF00386
(C1q) 		4 THR A 103
ASN A 134
LEU A 133
PHE A 185
 None
 1.37A 4awuA-5kwrA:
undetectable		 4awuA-5kwrA:
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.
5lc8 ARACHIDONATE
15-LIPOXYGENASE

(Pseudomonas
aeruginosa) 		PF00305
(Lipoxygenase) 		4 THR A 392
HIS A 400
LEU A 544
PHE A 410
 None
 1.39A 4awuA-5lc8A:
undetectable		 4awuA-5lc8A:
21.84
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.
5lfn CHONDROADHERIN

(Homo sapiens) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8) 		4 TRP A 302
ASN A 278
LEU A 256
PHE A 287
 None
 1.17A 4awuA-5lfnA:
undetectable		 4awuA-5lfnA:
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 4 THR B  14
HIS B 264
TYR B 267
PHE B  51
 None
 1.05A 4awuA-5swiB:
undetectable		 4awuA-5swiB:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t2x UNCHARACTERIZED
PROTEIN LPG1670

(Legionella
pneumophila) 		no annotation 4 HIS A 168
TYR A  86
LEU A  94
PHE A  81
 None
 1.24A 4awuA-5t2xA:
undetectable		 4awuA-5t2xA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v4p NADPH DEHYDROGENASE
3

(Saccharomyces
cerevisiae) 		no annotation 5 THR A  37
TRP A 116
HIS A 191
ASN A 194
TYR A 196
 HBA  A 402 ( 3.9A)
HBA  A 402 ( 4.8A)
FMN  A 401 ( 3.5A)
HBA  A 402 ( 3.7A)
HBA  A 402 (-4.2A)
 0.34A 4awuA-5v4pA:
49.2		 4awuA-5v4pA:
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.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 THR A1121
TYR A1127
LEU A1244
PHE A1097
 PRO  A1602 (-3.5A)
None
None
None
 1.29A 4awuA-5vadA:
undetectable		 4awuA-5vadA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ve2 ENOYL-COA HYDRATASE

(Pseudoalteromonas
atlantica) 		PF00378
(ECH_1) 		4 THR A  61
TYR A  32
LEU A  35
PHE A  60
 THR  A  61 ( 0.8A)
TYR  A  32 ( 1.3A)
LEU  A  35 ( 0.6A)
PHE  A  60 ( 1.3A)
 1.33A 4awuA-5ve2A:
undetectable		 4awuA-5ve2A:
22.83
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.
6b1z GLUTAMATE--TRNA
LIGASE

(Elizabethkingia
anophelis) 		PF00749
(tRNA-synt_1c) 		4 THR A 134
ASN A 140
TYR A 105
PHE A 128
 None
 1.34A 4awuA-6b1zA:
undetectable		 4awuA-6b1zA:
22.07
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.
6bxa TOLL-LIKE RECEPTOR
5B, VARIABLE
LYMPHOCYTE RECEPTOR
B CHIMERA
VARIABLE LYMPHOCYTE
RECEPTOR 2

(Eptatretus
burgeri;
Danio rerio;
Petromyzon
marinus) 		no annotation
no annotation 		4 THR C 130
HIS C 183
ASN A  36
LEU A  56
 None
 1.22A 4awuA-6bxaC:
undetectable		 4awuA-6bxaC:
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.
6cjq -

(-) 		no annotation 4 THR A  33
HIS A 149
LEU A 112
PHE A  96
 None
PGW  A 503 ( 4.9A)
PGW  A 505 ( 4.7A)
None
 1.19A 4awuA-6cjqA:
undetectable		 4awuA-6cjqA:
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.
6g79 5-HYDROXYTRYPTAMINE
RECEPTOR 1B

(Homo sapiens) 		no annotation 4 THR S 355
TYR S 109
LEU S 126
PHE S 330
 None
None
None
EP5  S 401 (-4.0A)
 1.35A 4awuA-6g79S:
undetectable		 4awuA-6g79S:
undetectable