SIMILAR PATTERNS OF AMINO ACIDS FOR 4K87_A_ADNA602_1

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.
1b7e PROTEIN (TRANSPOSASE
INHIBITOR PROTEIN
FROM TN5)

(Escherichia
coli) 		PF01609
(DDE_Tnp_1)
PF02281
(Dimer_Tnp_Tn5) 		4 GLY A 442
THR A 441
THR A 371
ARG A 367
 None
 0.88A 4k87A-1b7eA:
undetectable		 4k87A-1b7eA:
23.90
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.
1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 ARG A 262
PHE A 274
GLY A 423
ARG A 480
 LYS  A 505 (-4.0A)
None
None
None
 0.51A 4k87A-1bbuA:
10.7		 4k87A-1bbuA:
22.55
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.
1c0a ASPARTYL TRNA
SYNTHETASE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 ARG A 217
ARG A 225
PHE A 229
GLY A 484
ARG A 537
 AMO  A 831 (-3.0A)
C  B 674 (-3.1A)
AMO  A 831 (-3.2A)
AMO  A 831 (-3.2A)
AMO  A 831 (-4.0A)
 1.12A 4k87A-1c0aA:
11.8		 4k87A-1c0aA:
23.03
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.
1coy CHOLESTEROL OXIDASE

(Brevibacterium
sterolicum) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 PHE A 165
GLN A 340
GLY A 337
THR A 336
 None
 0.97A 4k87A-1coyA:
2.5		 4k87A-1coyA:
23.21
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.
1e1t LYSYL-TRNA
SYNTHETASE, HEAT
INDUCIBLE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 ARG A 262
PHE A 274
GLY A 423
ARG A 480
 LAD  A 601 ( 2.6A)
LAD  A 601 (-3.4A)
LAD  A 601 ( 3.7A)
POP  A 602 ( 2.4A)
 0.43A 4k87A-1e1tA:
10.8		 4k87A-1e1tA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ev1 ECHOVIRUS 1

(Enterovirus B) 		PF00073
(Rhv) 		4 GLN 3  82
GLY 3  85
THR 3 192
THR 1 281
 None
 0.96A 4k87A-1ev13:
undetectable		 4k87A-1ev13:
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.
1evl THREONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		7 ARG A 363
ARG A 375
PHE A 379
GLN A 479
GLY A 481
THR A 482
ARG A 520
 TSB  A2002 (-2.7A)
None
TSB  A2002 (-3.6A)
TSB  A2002 (-3.6A)
None
TSB  A2002 (-4.3A)
TSB  A2002 (-3.9A)
 0.70A 4k87A-1evlA:
27.2		 4k87A-1evlA:
25.09
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.
1fzt PHOSPHOGLYCERATE
MUTASE

(Schizosaccharomyces
pombe) 		PF00300
(His_Phos_1) 		4 ARG A  14
ARG A 168
GLY A  28
THR A  27
 None
 0.90A 4k87A-1fztA:
undetectable		 4k87A-1fztA:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ggm GLYCINE--TRNA LIGASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		4 ARG A 220
ARG A 231
PHE A 235
ARG A 366
 GAP  A1550 ( 2.4A)
None
GAP  A1550 ( 3.5A)
GAP  A1550 ( 3.4A)
 0.73A 4k87A-1ggmA:
25.6		 4k87A-1ggmA:
21.96
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.
1ggm GLYCINE--TRNA LIGASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		4 ARG A 220
ARG A 231
PHE A 235
GLY A 307
 GAP  A1550 ( 2.4A)
None
GAP  A1550 ( 3.5A)
GAP  A1550 ( 4.6A)
 0.86A 4k87A-1ggmA:
25.6		 4k87A-1ggmA:
21.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hc7 PROLYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		6 ARG A 142
PHE A 156
GLN A 225
GLY A 227
THR A 228
ARG A 264
 None
 0.68A 4k87A-1hc7A:
46.0		 4k87A-1hc7A:
42.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hc7 PROLYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		6 ARG A 152
PHE A 156
GLN A 225
GLY A 227
THR A 228
ARG A 264
 None
 0.84A 4k87A-1hc7A:
46.0		 4k87A-1hc7A:
42.31
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.
1htt HISTIDYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 ARG A 113
ARG A 121
PHE A 125
ARG A 311
 AMP  A 451 ( 2.3A)
None
AMP  A 451 ( 3.5A)
AMP  A 451 ( 3.9A)
 0.92A 4k87A-1httA:
19.4		 4k87A-1httA:
23.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 ARG A 148
GLN A 232
GLY A 234
THR A 235
ARG A 271
 5CA  A 512 (-2.9A)
5CA  A 512 (-4.2A)
5CA  A 512 (-3.6A)
5CA  A 512 (-3.0A)
5CA  A 512 (-4.4A)
 0.47A 4k87A-1nj1A:
44.6		 4k87A-1nj1A:
37.52
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.
1nyq THREONYL-TRNA
SYNTHETASE 1

(Staphylococcus
aureus) 		PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD) 		4 ARG A 365
THR A 488
THR A 523
ARG A 526
 TSB  A1002 (-2.5A)
TSB  A1002 ( 4.5A)
TSB  A1002 (-2.9A)
TSB  A1002 (-3.5A)
 0.70A 4k87A-1nyqA:
27.3		 4k87A-1nyqA:
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.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		4 GLN A 299
THR A 318
THR A 301
ARG A 262
 NAG  A 806 (-4.0A)
NAG  A 806 (-2.3A)
NAG  A 805 (-3.4A)
NAG  A 805 ( 4.6A)
 0.84A 4k87A-1q5aA:
undetectable		 4k87A-1q5aA:
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.
1qf6 THREONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD) 		5 ARG A 363
PHE A 379
GLN A 479
THR A 482
ARG A 520
 AMP  A1002 (-2.7A)
AMP  A1002 (-3.7A)
AMP  A1002 (-3.7A)
AMP  A1002 (-3.9A)
AMP  A1002 (-3.7A)
 0.62A 4k87A-1qf6A:
26.7		 4k87A-1qf6A:
23.29
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.
1qf6 THREONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD) 		5 ARG A 375
GLN A 479
GLY A 481
THR A 482
ARG A 520
 C  B  74 (-3.0A)
AMP  A1002 (-3.7A)
None
AMP  A1002 (-3.9A)
AMP  A1002 (-3.7A)
 0.95A 4k87A-1qf6A:
26.7		 4k87A-1qf6A:
23.29
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.
1qf6 THREONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD) 		5 PHE A 379
GLN A 479
GLY A 481
THR A 482
ARG A 520
 AMP  A1002 (-3.7A)
AMP  A1002 (-3.7A)
None
AMP  A1002 (-3.9A)
AMP  A1002 (-3.7A)
 0.71A 4k87A-1qf6A:
26.7		 4k87A-1qf6A:
23.29
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		4 ARG A 323
GLN A 380
GLY A 379
THR A 371
 None
ACR  A3000 ( 4.9A)
None
None
 0.95A 4k87A-1ulvA:
undetectable		 4k87A-1ulvA:
18.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wle SERYL-TRNA
SYNTHETASE

(Bos taurus) 		PF00587
(tRNA-synt_2b) 		4 ARG A 313
ARG A 327
PHE A 331
ARG A 442
 SRP  A 900 (-2.6A)
None
SRP  A 900 (-4.0A)
SRP  A 900 ( 4.1A)
 0.89A 4k87A-1wleA:
23.6		 4k87A-1wleA:
24.01
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.
1ybf AMP NUCLEOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01048
(PNP_UDP_1) 		4 PHE A  25
GLN A  19
GLY A  51
THR A  54
 None
 0.99A 4k87A-1ybfA:
undetectable		 4k87A-1ybfA:
19.78
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.
2d37 HYPOTHETICAL
NADH-DEPENDENT FMN
OXIDOREDUCTASE

(Sulfurisphaera
tokodaii) 		PF01613
(Flavin_Reduct) 		4 PHE A  76
GLY A  29
THR A  20
THR A  31
 None
None
None
FMN  A 200 (-4.7A)
 0.91A 4k87A-2d37A:
undetectable		 4k87A-2d37A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dzd PYRUVATE CARBOXYLASE

(Geobacillus
thermodenitrificans) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ARG A  20
GLN A 217
GLY A 277
THR A 278
 None
 0.93A 4k87A-2dzdA:
3.2		 4k87A-2dzdA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fgq OUTER MEMBRANE PORIN
PROTEIN 32

(Delftia
acidovorans) 		PF13609
(Porin_4) 		4 GLY X  43
THR X  44
THR X   5
ARG X  42
 None
 1.02A 4k87A-2fgqX:
undetectable		 4k87A-2fgqX:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g6y GREEN FLUORESCENT
PROTEIN 2

(Pontellina
plumata) 		PF01353
(GFP) 		4 ARG A  87
PHE A 154
GLN A 212
THR A 138
 CR2  A  58 ( 3.5A)
CR2  A  58 ( 4.3A)
None
CR2  A  58 ( 2.7A)
 0.94A 4k87A-2g6yA:
undetectable		 4k87A-2g6yA:
17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2huf ALANINE GLYOXYLATE
AMINOTRANSFERASE

(Aedes aegypti) 		PF00266
(Aminotran_5) 		4 GLN A 362
GLY A 361
THR A 365
ARG A 368
 None
LLP  A 206 ( 4.8A)
None
None
 0.97A 4k87A-2hufA:
undetectable		 4k87A-2hufA:
21.71
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.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		4 ARG A 140
ARG A 151
PHE A 155
GLY A 284
 5CA  A 439 (-2.8A)
None
5CA  A 439 (-3.6A)
5CA  A 439 (-3.3A)
 0.80A 4k87A-2i4nA:
28.7		 4k87A-2i4nA:
25.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		4 ARG A 140
PHE A 155
GLY A 284
ARG A 322
 5CA  A 439 (-2.8A)
5CA  A 439 (-3.6A)
5CA  A 439 (-3.3A)
5CA  A 439 (-3.7A)
 0.63A 4k87A-2i4nA:
28.7		 4k87A-2i4nA:
25.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j3m PROLYL-TRNA
SYNTHETASE

(Enterococcus
faecalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF04073
(tRNA_edit) 		4 ARG A 140
PHE A 155
GLY A 409
ARG A 447
 ATP  A 701 ( 2.6A)
ATP  A 701 (-3.5A)
ATP  A 701 (-3.4A)
ATP  A 701 (-2.5A)
 0.56A 4k87A-2j3mA:
26.0		 4k87A-2j3mA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kxv TELLURITE RESISTANCE
PROTEIN

(Klebsiella
pneumoniae) 		PF02342
(TerD) 		4 ARG A 100
ARG A  99
GLY A 161
THR A 135
 None
 0.98A 4k87A-2kxvA:
undetectable		 4k87A-2kxvA:
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.
2ldi ZINC-TRANSPORTING
ATPASE

(Synechocystis
sp. PCC 6803) 		PF00403
(HMA) 		4 GLN A  11
THR A  49
THR A  42
ARG A  47
 None
 0.99A 4k87A-2ldiA:
undetectable		 4k87A-2ldiA:
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.
2o4v PORIN P

(Pseudomonas
aeruginosa) 		PF07396
(Porin_O_P) 		4 ARG A 222
GLY A 362
THR A 388
THR A 364
 None
 0.93A 4k87A-2o4vA:
undetectable		 4k87A-2o4vA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2owo DNA LIGASE

(Escherichia
coli) 		PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		4 ARG A 510
GLN A  72
GLY A 142
THR A 140
 SO4  A 674 (-3.6A)
None
None
SO4  A 674 ( 3.6A)
 1.01A 4k87A-2owoA:
undetectable		 4k87A-2owoA:
22.95
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.
2phc UNCHARACTERIZED
PROTEIN PH0987

(Pyrococcus
horikoshii) 		PF02682
(CT_C_D) 		4 ARG B  26
GLY B  83
THR B  85
ARG B  80
 None
 0.98A 4k87A-2phcB:
undetectable		 4k87A-2phcB:
16.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qf7 PYRUVATE CARBOXYLASE
PROTEIN

(Rhizobium etli) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ARG A  17
GLN A 220
GLY A 280
THR A 281
 None
 0.99A 4k87A-2qf7A:
3.0		 4k87A-2qf7A:
18.65
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.
2y3a PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B) 		4 ARG A 270
GLN A 926
GLY A 925
THR A 924
 None
 0.91A 4k87A-2y3aA:
undetectable		 4k87A-2y3aA:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zr2 SERYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		4 ARG A 283
ARG A 298
PHE A 302
ARG A 412
 AMP  A1001 (-3.3A)
SO4  A2003 (-3.0A)
AMP  A1001 (-3.5A)
SO4  A2005 ( 3.1A)
 0.89A 4k87A-2zr2A:
23.6		 4k87A-2zr2A:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ztg ALANYL-TRNA
SYNTHETASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		4 ARG A 128
PHE A 145
THR A 212
ARG A 249
 A5A  A 801 (-2.7A)
A5A  A 801 (-3.5A)
A5A  A 801 (-3.4A)
A5A  A 801 (-4.0A)
 0.53A 4k87A-2ztgA:
8.0		 4k87A-2ztgA:
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.
2zzg ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		4 ARG A 128
PHE A 145
THR A 213
ARG A 255
 A5A  A 999 (-3.0A)
A5A  A 999 (-3.4A)
A5A  A 999 (-3.1A)
A5A  A 999 (-3.7A)
 0.57A 4k87A-2zzgA:
8.3		 4k87A-2zzgA:
22.11
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.
3c3n DIHYDROOROTATE
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF01180
(DHO_dh) 		4 PHE A  13
GLN A 271
GLY A 249
THR A 193
 PHE  A  13 ( 1.3A)
GLN  A 271 ( 0.6A)
GLY  A 249 ( 0.0A)
THR  A 193 ( 0.8A)
 0.99A 4k87A-3c3nA:
undetectable		 4k87A-3c3nA:
21.96
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.
3ceb D-AMINOACID
AMINOTRANSFERASE-LIK
E PLP-DEPENDENT
ENZYME

(Histophilus
somni) 		PF01063
(Aminotran_4) 		4 ARG A 106
PHE A   7
THR A   9
ARG A  64
 LLP  A 102 (-3.1A)
LLP  A 102 ( 4.0A)
None
None
 0.83A 4k87A-3cebA:
undetectable		 4k87A-3cebA:
16.54
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.
3d8m BASEPLATE PROTEIN,
RECEPTOR BINDING
PROTEIN

(Lactococcus
phage TP901-1;
Lactococcus
virus P2) 		PF08931
(Caudo_bapla_RBP) 		4 GLN A  78
THR A  68
THR A  80
ARG A  90
 None
 0.94A 4k87A-3d8mA:
undetectable		 4k87A-3d8mA:
15.10
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.
3gec PERIOD CIRCADIAN
PROTEIN

(Drosophila
melanogaster) 		PF00989
(PAS)
PF14598
(PAS_11) 		4 ARG A 422
PHE A 427
GLN A 464
GLY A 413
 None
 0.98A 4k87A-3gecA:
undetectable		 4k87A-3gecA:
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.
3grk ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
(NADH)

(Brucella
melitensis) 		PF13561
(adh_short_C2) 		4 ARG A  12
PHE A  91
GLN A   9
GLY A   6
 None
 0.92A 4k87A-3grkA:
undetectable		 4k87A-3grkA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hx6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILY1

(Pseudomonas
aeruginosa) 		PF05567
(Neisseria_PilC) 		4 ARG A1093
GLN A1117
THR A1073
ARG A1003
 None
 0.77A 4k87A-3hx6A:
undetectable		 4k87A-3hx6A:
24.64
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.
3lmm UNCHARACTERIZED
PROTEIN

(Corynebacterium
diphtheriae) 		PF04326
(AlbA_2)
PF13749
(HATPase_c_4) 		4 ARG A 462
GLN A 107
GLY A 108
THR A 111
 None
 0.92A 4k87A-3lmmA:
undetectable		 4k87A-3lmmA:
23.04
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.
3mhu DIHYDROOROTATE
DEHYDROGENASE

(Leishmania
major) 		PF01180
(DHO_dh) 		4 PHE A  12
GLN A 270
GLY A 248
THR A 192
 None
 0.97A 4k87A-3mhuA:
undetectable		 4k87A-3mhuA:
24.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mp7 PREPROTEIN
TRANSLOCASE SUBUNIT
SECY

(Pyrococcus
furiosus) 		PF00344
(SecY)
PF10559
(Plug_translocon) 		4 GLY A 431
THR A 432
THR A 188
ARG A 192
 None
 0.96A 4k87A-3mp7A:
undetectable		 4k87A-3mp7A:
22.39
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.
3tej ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00550
(PP-binding)
PF00975
(Thioesterase) 		4 ARG A1051
GLN A1098
GLY A1076
THR A1212
 None
 0.97A 4k87A-3tejA:
3.0		 4k87A-3tejA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u9s METHYLCROTONYL-COA
CARBOXYLASE,
ALPHA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ARG A  63
GLN A 259
GLY A 319
THR A 320
 None
 1.01A 4k87A-3u9sA:
3.2		 4k87A-3u9sA:
22.66
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ARG A 638
GLN A 833
GLY A 893
THR A 894
 None
 0.98A 4k87A-3va7A:
4.6		 4k87A-3va7A:
19.46
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.
3w3s TYPE-2 SERINE--TRNA
LIGASE

(Methanopyrus
kandleri) 		PF00587
(tRNA-synt_2b) 		5 ARG A 349
ARG A 360
PHE A 364
GLY A 451
ARG A 485
 SSA  A2002 (-3.0A)
None
SSA  A2002 ( 3.5A)
SSA  A2002 (-3.4A)
SSA  A2002 ( 3.7A)
 1.14A 4k87A-3w3sA:
22.6		 4k87A-3w3sA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wqy ALANINE--TRNA LIGASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF02272
(DHHA1)
PF07973
(tRNA_SAD) 		4 ARG A 128
PHE A 145
THR A 212
ARG A 249
 A5A  A1001 (-3.4A)
A5A  A1001 (-3.5A)
A5A  A1001 (-3.5A)
A5A  A1001 (-3.7A)
 0.73A 4k87A-3wqyA:
8.8		 4k87A-3wqyA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wxr PROTEASOME SUBUNIT
BETA TYPE-4

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		4 ARG K  35
PHE K  45
GLN K  54
GLY K  50
 None
 0.99A 4k87A-3wxrK:
undetectable		 4k87A-3wxrK:
17.30
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.
4b1l LEVANASE

(Bacillus
subtilis) 		PF06439
(DUF1080) 		4 GLN A 540
GLY A 541
THR A 667
THR A 531
 None
 0.89A 4k87A-4b1lA:
undetectable		 4k87A-4b1lA:
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.
4bt6 ALPHA-ACETOLACTATE
DECARBOXYLASE

(Brevibacillus
brevis) 		PF03306
(AAL_decarboxy) 		4 PHE A 167
GLN A  75
GLY A  64
THR A 146
 None
 0.99A 4k87A-4bt6A:
undetectable		 4k87A-4bt6A:
16.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c22 L-FUCOSE ISOMERASE

(Streptococcus
pneumoniae) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		4 PHE A 316
GLY A 398
THR A 399
THR A 319
 None
 0.83A 4k87A-4c22A:
8.0		 4k87A-4c22A:
23.91
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.
4cmf AMINOTRANSFERASE

([Nectria]
haematococca) 		PF01063
(Aminotran_4) 		4 GLY A 157
THR A 156
THR A 283
ARG A 159
 None
 0.82A 4k87A-4cmfA:
undetectable		 4k87A-4cmfA:
20.70
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.
4dpg LYSINE--TRNA LIGASE

(Homo sapiens) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 ARG A 323
PHE A 335
GLY A 548
THR A 337
 APC  A 602 (-3.1A)
APC  A 602 (-3.8A)
LYS  A 601 ( 4.0A)
None
 0.98A 4k87A-4dpgA:
11.3		 4k87A-4dpgA:
22.74
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.
4e1j GLYCEROL KINASE

(Sinorhizobium
meliloti) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 ARG A 489
GLN A 274
GLY A 273
THR A 461
 None
 1.00A 4k87A-4e1jA:
undetectable		 4k87A-4e1jA:
24.80
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.
4eo4 THREONINE--TRNA
LIGASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 ARG A 162
PHE A 178
GLN A 287
THR A 290
ARG A 328
 SSA  A1001 (-2.8A)
SSA  A1001 (-3.8A)
SSA  A1001 (-3.6A)
SSA  A1001 ( 4.3A)
SSA  A1001 (-3.7A)
 0.50A 4k87A-4eo4A:
26.5		 4k87A-4eo4A:
25.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		4 GLN A 112
GLY A 116
THR A 115
THR A 118
 EDO  A 404 ( 4.3A)
None
EDO  A 404 (-4.0A)
None
 0.83A 4k87A-4ev4A:
undetectable		 4k87A-4ev4A:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4glx DNA LIGASE

(Escherichia
coli) 		PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		4 ARG A 510
GLN A  72
GLY A 142
THR A 140
 SO4  A 602 (-4.1A)
None
None
SO4  A 602 ( 3.9A)
 0.94A 4k87A-4glxA:
undetectable		 4k87A-4glxA:
22.03
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.
4gz8 SEMAPHORIN-3A

(Mus musculus) 		PF01403
(Sema) 		4 GLN A 309
THR A 329
THR A 261
ARG A 248
 None
 0.96A 4k87A-4gz8A:
undetectable		 4k87A-4gz8A:
16.57
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.
4huz 2,6-DICHLORO-P-HYDRO
QUINONE
1,2-DIOXYGENASE

(Sphingobium
chlorophenolicum) 		PF00903
(Glyoxalase) 		4 PHE A  52
GLY A  17
THR A  18
THR A  65
 None
 1.01A 4k87A-4huzA:
undetectable		 4k87A-4huzA:
19.59
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.
4hwt THREONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		4 ARG A 475
PHE A 491
THR A 593
ARG A 632
 1B2  A 802 (-2.5A)
None
1B2  A 802 ( 4.1A)
None
 0.69A 4k87A-4hwtA:
26.0		 4k87A-4hwtA:
22.48
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.
4lhe THERMOSTABLE
MONOACYLGLYCEROL
LIPASE

(Bacillus sp.
H-257) 		PF12146
(Hydrolase_4) 		4 ARG A  37
GLY A  95
THR A  94
THR A 229
 None
 0.98A 4k87A-4lheA:
3.2		 4k87A-4lheA:
18.95
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.
4lls GERANYLTRANSTRANSFER
ASE

(Roseobacter
denitrificans) 		PF00348
(polyprenyl_synt) 		4 GLY A 190
THR A  51
THR A 198
ARG A 192
 None
 1.00A 4k87A-4llsA:
undetectable		 4k87A-4llsA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nnz PROBABLE ZINC
PROTEASE

(Pseudomonas
aeruginosa) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 ARG A 269
PHE A 311
GLY A 277
THR A 299
 None
 0.93A 4k87A-4nnzA:
undetectable		 4k87A-4nnzA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o6g UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		PF15598
(Imm61) 		4 GLN A  25
GLY A  26
THR A  34
THR A   3
 None
 0.88A 4k87A-4o6gA:
undetectable		 4k87A-4o6gA:
14.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qsl PYRUVATE CARBOXYLASE

(Listeria
monocytogenes) 		no annotation 4 ARG H  18
GLN H 215
GLY H 275
THR H 276
 None
 0.88A 4k87A-4qslH:
3.2		 4k87A-4qslH:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u0t ADC-7 BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00144
(Beta-lactamase) 		4 ARG A 211
GLY A 320
THR A 321
THR A 316
 None
 0.99A 4k87A-4u0tA:
undetectable		 4k87A-4u0tA:
21.96
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.
4up7 LYSINE--TRNA LIGASE

(Entamoeba
histolytica) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 ARG A 251
PHE A 263
GLY A 534
THR A 265
 LAD  A1584 (-2.3A)
LAD  A1584 (-3.5A)
LAD  A1584 ( 3.9A)
LAD  A1584 (-4.5A)
 0.82A 4k87A-4up7A:
10.9		 4k87A-4up7A:
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.
4wj3 ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Pseudomonas
aeruginosa) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		4 ARG M 220
PHE M 232
GLY M 485
ARG M 538
 None
 1.01A 4k87A-4wj3M:
11.3		 4k87A-4wj3M:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xpd N-TERMINAL
ACETYLTRANSFERASE A
COMPLEX SUBUNIT NAT1

(Saccharomyces
cerevisiae) 		PF12569
(NARP1) 		4 PHE A 462
GLY A 444
THR A 458
ARG A 445
 None
 0.97A 4k87A-4xpdA:
undetectable		 4k87A-4xpdA:
21.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydq PROLINE--TRNA LIGASE

(Plasmodium
falciparum) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		6 ARG A 390
PHE A 405
GLN A 475
THR A 478
THR A 512
ARG A 514
 ANP  A 801 ( 2.5A)
ANP  A 801 (-3.9A)
ANP  A 801 (-4.4A)
HFG  A 802 ( 4.0A)
ANP  A 801 (-3.1A)
ANP  A 801 (-3.2A)
 0.45A 4k87A-4ydqA:
49.4		 4k87A-4ydqA:
49.35
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.
5b47 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
ALPHA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01558
(POR)
PF01855
(POR_N)
PF17147
(PFOR_II) 		4 ARG A  47
GLY A 350
THR A 349
THR A 353
 None
None
TPP  B 402 ( 4.5A)
None
 0.88A 4k87A-5b47A:
2.7		 4k87A-5b47A:
23.44
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.
5ck0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 ARG A 157
PHE A 571
GLY A  90
THR A  73
 None
 1.01A 4k87A-5ck0A:
undetectable		 4k87A-5ck0A:
23.64
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.
5f75 THIOCYANATE
DEHYDROGENASE

(Thioalkalivibrio
paradoxus) 		no annotation 4 PHE A 436
GLY A 495
THR A 496
THR A 450
 None
 1.00A 4k87A-5f75A:
undetectable		 4k87A-5f75A:
21.21
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.
5fqd DNA DAMAGE-BINDING
PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		4 ARG A1074
PHE A 998
GLY A1038
THR A   8
 None
 1.01A 4k87A-5fqdA:
undetectable		 4k87A-5fqdA:
20.55
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.
5gli ENDOTHELIN RECEPTOR
SUBTYPE-B

(Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		4 GLY A1113
THR A1114
THR A1108
ARG A1111
 None
 0.96A 4k87A-5gliA:
undetectable		 4k87A-5gliA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 ARG A 827
GLN A 859
GLY A 860
THR A 861
 None
 1.01A 4k87A-5hjrA:
undetectable		 4k87A-5hjrA:
21.01
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ARG A 638
GLN A 833
GLY A 893
THR A 894
 None
 0.96A 4k87A-5i8iA:
3.3		 4k87A-5i8iA:
14.45
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.
5jjq AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Streptomyces
sp. ML694-90F3) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ARG A 126
GLY A 137
THR A 136
ARG A 138
 None
 0.93A 4k87A-5jjqA:
2.9		 4k87A-5jjqA:
24.88
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.
5mzs FERRIC ENTEROBACTIN
RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 4 ARG A  52
GLN A 634
GLY A 632
THR A 609
 None
 1.00A 4k87A-5mzsA:
undetectable		 4k87A-5mzsA:
10.37
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.
5o30 PUTATIVE
OXIDOREDUCTASE

(Ilumatobacter
coccineus) 		PF13561
(adh_short_C2) 		4 GLY A 194
THR A 195
THR A 154
ARG A 169
 None
 0.92A 4k87A-5o30A:
3.1		 4k87A-5o30A:
23.95
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.
5uju NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Burkholderia
multivorans) 		PF00171
(Aldedh) 		4 PHE A 449
GLN A 139
GLY A 138
THR A 137
 None
 0.99A 4k87A-5ujuA:
4.4		 4k87A-5ujuA:
23.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 ARG A1152
PHE A1167
GLN A1237
GLY A1238
THR A1276
 PRO  A1602 ( 3.4A)
91Y  A1601 (-3.8A)
91Y  A1601 (-4.1A)
None
91Y  A1601 (-3.0A)
 1.21A 4k87A-5vadA:
54.9		 4k87A-5vadA:
96.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		7 ARG A1152
PHE A1167
GLN A1237
GLY A1239
THR A1240
THR A1276
ARG A1278
 PRO  A1602 ( 3.4A)
91Y  A1601 (-3.8A)
91Y  A1601 (-4.1A)
91Y  A1601 ( 4.1A)
91Y  A1601 (-4.2A)
91Y  A1601 (-3.0A)
91Y  A1601 (-3.4A)
 0.35A 4k87A-5vadA:
54.9		 4k87A-5vadA:
96.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vl1 LYSINE--TRNA LIGASE

(Mycobacterium
ulcerans) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 ARG A 255
PHE A 267
THR A 418
ARG A 474
 LYS  A 502 (-3.3A)
PGE  A 501 (-3.6A)
PGE  A 501 (-4.2A)
PGE  A 501 (-3.6A)
 0.73A 4k87A-5vl1A:
11.4		 4k87A-5vl1A:
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.
5vyw PYRUVATE CARBOXYLASE

(Lactococcus
lactis) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ARG A  15
GLN A 211
GLY A 271
THR A 272
 None
 0.88A 4k87A-5vywA:
3.2		 4k87A-5vywA:
19.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 6 ARG A 470
PHE A 485
GLN A 555
THR A 558
THR A 592
ARG A 594
 ANP  A1001 ( 2.9A)
ANP  A1001 (-3.4A)
ANP  A1001 (-3.6A)
86X  A1004 (-3.9A)
ANP  A1001 (-2.7A)
ANP  A1001 (-3.7A)
 0.55A 4k87A-5xiiA:
50.1		 4k87A-5xiiA:
58.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xil PUTATIVE PROLYL-TRNA
SYNTHETASE

(Leishmania
major) 		no annotation 5 ARG A 401
PHE A 405
GLN A 475
THR A 478
ARG A 516
 None
 0.80A 4k87A-5xilA:
46.6		 4k87A-5xilA:
56.04
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.
5xio PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE)

(Cryptosporidium
parvum) 		no annotation 6 ARG A 362
PHE A 377
GLN A 447
THR A 450
THR A 484
ARG A 486
 ANP  A 803 ( 3.1A)
ANP  A 803 (-4.1A)
ANP  A 803 (-3.5A)
ANP  A 803 (-3.9A)
ANP  A 803 (-3.3A)
ANP  A 803 (-3.5A)
 0.52A 4k87A-5xioA:
51.4		 4k87A-5xioA:
24.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xip PROLYL-TRNA
SYNTHETASE, PUTATIVE

(Eimeria tenella) 		no annotation 6 ARG A 390
PHE A 405
GLN A 475
THR A 478
THR A 512
ARG A 514
 ANP  A1001 (-2.8A)
ANP  A1001 (-3.7A)
ANP  A1001 (-3.3A)
ANP  A1001 ( 3.7A)
ANP  A1001 (-2.8A)
ANP  A1001 (-3.6A)
 0.55A 4k87A-5xipA:
49.0		 4k87A-5xipA:
62.64
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.
5zqj BETA-XYLOSIDASE

(Bacillus
pumilus) 		no annotation 4 ARG A  53
GLY A 506
THR A 505
ARG A 383
 None
 0.91A 4k87A-5zqjA:
undetectable		 4k87A-5zqjA:
9.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6aqh LYSINE--TRNA LIGASE

(Mycolicibacterium
thermoresistibile) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 ARG A 258
PHE A 270
THR A 422
ARG A 478
 LYS  A 601 ( 3.4A)
KRS  A 602 (-3.5A)
LYS  A 601 ( 4.3A)
KRS  A 602 (-3.5A)
 0.75A 4k87A-6aqhA:
11.3		 4k87A-6aqhA:
24.21
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.
6chd LYSINE--TRNA LIGASE

(Homo sapiens) 		no annotation 4 ARG A 323
PHE A 335
GLY A 548
THR A 337
 KAA  A 601 (-2.5A)
KAA  A 601 (-3.3A)
KAA  A 601 (-3.7A)
KAA  A 601 (-4.4A)
 0.97A 4k87A-6chdA:
11.2		 4k87A-6chdA:
9.19
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC2

(Saccharomyces
cerevisiae) 		no annotation 4 PHE B 949
GLY B 917
THR B 954
ARG B 952
 None
 0.96A 4k87A-6f42B:
undetectable		 4k87A-6f42B:
10.52