SIMILAR PATTERNS OF AMINO ACIDS FOR 4YDQ_A_HFGA802_0

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.
1ati GLYCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 LEU A  74
PRO A 187
ARG A 220
SER A 361
GLY A 363
 None
 1.27A 4ydqA-1atiA:
25.4		 4ydqA-1atiA:
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.
1azw PROLINE
IMINOPEPTIDASE

(Xanthomonas
citri) 		PF00561
(Abhydrolase_1) 		5 LEU A   4
VAL A 302
ARG A 133
PHE A 213
GLY A  43
 None
 1.25A 4ydqA-1azwA:
undetectable		 4ydqA-1azwA:
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.
1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Escherichia
coli) 		PF02350
(Epimerase_2) 		5 LEU A 324
GLU A 315
VAL A 317
ARG A 313
HIS A 213
 None
 1.09A 4ydqA-1f6dA:
3.9		 4ydqA-1f6dA:
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.
1fbw ENDO-1,4-BETA-GLUCAN
ASE F

([Clostridium]
cellulolyticum) 		PF02011
(Glyco_hydro_48) 		5 LEU A 357
VAL A 422
PRO A 326
ARG A 421
SER A 270
 None
 1.37A 4ydqA-1fbwA:
undetectable		 4ydqA-1fbwA:
21.39
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.
1fzt PHOSPHOGLYCERATE
MUTASE

(Schizosaccharomyces
pombe) 		PF00300
(His_Phos_1) 		5 LEU A  49
GLU A 207
VAL A  11
PRO A 192
GLU A  41
 None
 1.22A 4ydqA-1fztA:
undetectable		 4ydqA-1fztA:
17.60
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) 		5 GLU A 144
TRP A 158
GLU A 160
SER A 258
GLY A 260
 None
 1.27A 4ydqA-1hc7A:
45.8		 4ydqA-1hc7A:
42.58
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) 		9 LEU A  77
PRO A 110
ARG A 142
TRP A 158
GLU A 160
HIS A 162
PHE A 205
SER A 258
GLY A 260
 None
 0.91A 4ydqA-1hc7A:
45.8		 4ydqA-1hc7A:
42.58
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) 		5 LEU A  91
GLU A 144
TRP A 158
GLU A 160
GLY A 260
 None
 1.26A 4ydqA-1hc7A:
45.8		 4ydqA-1hc7A:
42.58
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.
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		5 LEU A 265
GLU A 225
VAL A 224
SER A 212
GLY A 210
 None
 1.32A 4ydqA-1icpA:
undetectable		 4ydqA-1icpA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 LEU A 753
GLU A 693
VAL A 691
ARG A 690
GLU A 713
 None
 1.36A 4ydqA-1ileA:
undetectable		 4ydqA-1ileA:
20.10
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.
1jsd HAEMAGGLUTININ (HA1
CHAIN)

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 LEU A 233
VAL A 235
PRO A 244
HIS A 248
GLY A  63
 None
 1.20A 4ydqA-1jsdA:
undetectable		 4ydqA-1jsdA:
20.56
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.
1lgy TRIACYLGLYCEROL
LIPASE

(Rhizopus niveus) 		PF01764
(Lipase_3) 		5 LEU A 152
GLU A 190
VAL A 189
PRO A 219
SER A 245
 None
 1.22A 4ydqA-1lgyA:
undetectable		 4ydqA-1lgyA:
19.88
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 GLU A 150
GLU A 168
HIS A 170
PHE A 212
GLY A 267
 5CA  A 512 (-4.1A)
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.9A)
 0.82A 4ydqA-1nj1A:
43.9		 4ydqA-1nj1A:
31.21
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) 		6 GLU A 150
PRO A 116
ARG A 148
GLU A 168
HIS A 170
GLY A 267
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-2.9A)
None
None
5CA  A 512 (-3.9A)
 0.96A 4ydqA-1nj1A:
43.9		 4ydqA-1nj1A:
31.21
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) 		7 LEU A  83
GLU A  96
VAL A  97
GLU A 168
HIS A 170
PHE A 212
GLY A 267
 None
None
None
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.9A)
 0.94A 4ydqA-1nj1A:
43.9		 4ydqA-1nj1A:
31.21
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) 		8 LEU A  83
GLU A  96
VAL A  97
PRO A 116
ARG A 148
GLU A 168
HIS A 170
GLY A 267
 None
None
None
None
5CA  A 512 (-2.9A)
None
None
5CA  A 512 (-3.9A)
 0.57A 4ydqA-1nj1A:
43.9		 4ydqA-1nj1A:
31.21
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 VAL A  97
PRO A 116
GLU A 168
HIS A 170
PHE A 243
 None
 1.26A 4ydqA-1nj1A:
43.9		 4ydqA-1nj1A:
31.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj8 PROLINE-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2) 		6 LEU A  67
GLU A  80
VAL A  81
PRO A 100
GLU A 152
GLY A 251
 None
 0.72A 4ydqA-1nj8A:
42.0		 4ydqA-1nj8A:
35.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj8 PROLINE-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2) 		5 LEU A  67
GLU A  80
VAL A  81
PRO A 100
PHE A 196
 None
 1.00A 4ydqA-1nj8A:
42.0		 4ydqA-1nj8A:
35.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj8 PROLINE-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2) 		6 LEU A  67
VAL A  81
PRO A 100
GLU A 152
HIS A 154
GLY A 251
 None
 0.40A 4ydqA-1nj8A:
42.0		 4ydqA-1nj8A:
35.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj8 PROLINE-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2) 		5 LEU A  67
VAL A  81
PRO A 100
HIS A 154
PHE A 196
 None
 0.83A 4ydqA-1nj8A:
42.0		 4ydqA-1nj8A:
35.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj8 PROLINE-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2) 		5 VAL A  81
PRO A 100
GLU A 152
HIS A 154
PHE A 227
 None
 1.22A 4ydqA-1nj8A:
42.0		 4ydqA-1nj8A:
35.78
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.
1tlt PUTATIVE
OXIDOREDUCTASE
(VIRULENCE FACTOR
MVIM HOMOLOG)

(Escherichia
coli) 		PF01408
(GFO_IDH_MocA) 		5 LEU A 168
PHE A 161
GLU A 100
PRO A  97
GLY A  12
 None
SO4  A 322 (-4.6A)
None
None
None
 1.17A 4ydqA-1tltA:
3.7		 4ydqA-1tltA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u2v ACTIN-RELATED
PROTEIN 3

(Bos taurus) 		PF00022
(Actin) 		5 PHE A 283
PRO A 285
PHE A 331
SER A 170
GLY A 197
 None
None
None
None
ADP  A1001 (-3.2A)
 1.24A 4ydqA-1u2vA:
undetectable		 4ydqA-1u2vA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bdt BH3686

(Bacillus
halodurans) 		PF13238
(AAA_18) 		5 LEU A 115
GLU A 138
VAL A 136
PRO A  10
GLY A  34
 None
 1.08A 4ydqA-2bdtA:
2.5		 4ydqA-2bdtA:
17.37
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.
2dq3 SERYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		5 GLU A 264
ARG A 262
GLU A 233
SER A 354
GLY A 384
 SSA  A1001 (-3.3A)
SSA  A1001 (-2.8A)
SSA  A1001 (-3.7A)
None
SSA  A1001 (-3.7A)
 1.00A 4ydqA-2dq3A:
22.6		 4ydqA-2dq3A:
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.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		6 LEU A 105
GLU A  92
PRO A 108
ARG A 140
SER A 315
GLY A 317
 None
None
None
5CA  A 439 (-2.8A)
5CA  A 439 (-3.6A)
5CA  A 439 (-3.5A)
 1.06A 4ydqA-2i4nA:
28.4		 4ydqA-2i4nA:
22.08
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.
2qmi PBP RELATED
BETA-LACTAMASE

(Pyrococcus
abyssi) 		PF00144
(Beta-lactamase)
PF13969
(Pab87_oct) 		5 LEU A 222
VAL A  43
PRO A  20
SER A 305
GLY A 311
 None
 1.35A 4ydqA-2qmiA:
undetectable		 4ydqA-2qmiA:
21.33
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.
2yl2 ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A 448
GLU A 474
VAL A 460
TRP A 297
GLY A 326
 None
 1.33A 4ydqA-2yl2A:
undetectable		 4ydqA-2yl2A:
22.65
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.
2ywd GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Thermus
thermophilus) 		PF01174
(SNO) 		5 LEU A 103
GLU A 149
VAL A 161
ARG A 162
GLY A 190
 None
 1.11A 4ydqA-2ywdA:
2.2		 4ydqA-2ywdA:
16.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gri DIHYDROOROTASE

(Staphylococcus
aureus) 		PF01979
(Amidohydro_1) 		5 LEU A 259
GLU A 253
VAL A 254
PHE A  84
GLY A 365
 None
 1.19A 4ydqA-3griA:
undetectable		 4ydqA-3griA:
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.
3hx6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILY1

(Pseudomonas
aeruginosa) 		PF05567
(Neisseria_PilC) 		5 LEU A 849
PHE A 873
VAL A 804
PRO A 847
GLY A 868
 None
 1.26A 4ydqA-3hx6A:
undetectable		 4ydqA-3hx6A:
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA

(Moorella
thermoacetica) 		PF03063
(Prismane) 		5 GLU A 611
VAL A 610
PRO A 608
SER A 480
GLY A 475
 None
 1.12A 4ydqA-3i04A:
5.3		 4ydqA-3i04A:
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus;
Thermus
thermophilus) 		PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S)
PF01257
(2Fe-2S_thioredx) 		5 LEU 2  31
GLU 2  59
VAL 2  60
ARG 1 196
GLY 1 354
 None
None
None
None
SF4  1 439 (-4.1A)
 1.35A 4ydqA-3i9v2:
undetectable		 4ydqA-3i9v2:
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus;
Thermus
thermophilus;
Thermus
thermophilus) 		PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S)
PF01257
(2Fe-2S_thioredx)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4) 		5 LEU 2  31
GLU 2  59
VAL 2  60
ARG 1 196
GLY 3 206
 None
 1.24A 4ydqA-3i9v2:
undetectable		 4ydqA-3i9v2:
16.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ial PROLYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		7 LEU A 112
GLU A 125
PRO A 145
ARG A 177
GLU A 196
HIS A 198
GLY A 296
 None
None
None
PR8  A 601 ( 4.3A)
PR8  A 601 (-4.5A)
PR8  A 601 ( 4.5A)
PR8  A 601 (-3.4A)
 0.54A 4ydqA-3ialA:
43.3		 4ydqA-3ialA:
32.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ial PROLYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 LEU A 112
GLU A 125
PRO A 145
ARG A 177
GLY A 264
 None
None
None
PR8  A 601 ( 4.3A)
PR8  A 601 (-3.5A)
 1.15A 4ydqA-3ialA:
43.3		 4ydqA-3ialA:
32.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ial PROLYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 LEU A 112
GLU A 196
HIS A 198
PHE A 241
GLY A 296
 None
PR8  A 601 (-4.5A)
PR8  A 601 ( 4.5A)
PR8  A 601 ( 4.1A)
PR8  A 601 (-3.4A)
 0.85A 4ydqA-3ialA:
43.3		 4ydqA-3ialA:
32.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ial PROLYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 LEU A 112
PRO A 145
ARG A 177
TRP A 194
GLY A 296
 None
None
PR8  A 601 ( 4.3A)
None
PR8  A 601 (-3.4A)
 0.79A 4ydqA-3ialA:
43.3		 4ydqA-3ialA:
32.51
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.
3ib3 COCE/NOND FAMILY
HYDROLASE

(Staphylococcus
aureus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 LEU A 496
GLU A 510
VAL A 511
GLU A 517
GLY A 521
 None
 1.27A 4ydqA-3ib3A:
2.2		 4ydqA-3ib3A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j15 PROTEIN PELOTA

(Pyrococcus
furiosus) 		PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		5 LEU A 124
GLU A   6
VAL A  13
GLU A  18
GLY A 155
 None
 1.38A 4ydqA-3j15A:
undetectable		 4ydqA-3j15A:
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.
3k17 LIN0012 PROTEIN

(Listeria
innocua) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 LEU A 272
PHE A 217
PRO A 213
SER A 168
GLY A 172
 None
 1.27A 4ydqA-3k17A:
undetectable		 4ydqA-3k17A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kio RIBONUCLEASE H2
SUBUNIT A
RIBONUCLEASE H2
SUBUNIT C

(Mus musculus;
Mus musculus) 		PF01351
(RNase_HII)
PF08615
(RNase_H2_suC) 		5 LEU A 221
PHE A 237
VAL A  41
GLU A 198
PHE C  47
 None
 1.21A 4ydqA-3kioA:
undetectable		 4ydqA-3kioA:
21.74
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 LEU A 255
VAL A 261
HIS A 269
PHE A 119
GLY A 318
 None
 1.18A 4ydqA-3mduA:
undetectable		 4ydqA-3mduA:
18.10
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.
3mpg DIHYDROOROTASE

(Bacillus
anthracis) 		PF01979
(Amidohydro_1) 		5 LEU A 260
GLU A 254
VAL A 255
PHE A  85
GLY A 366
 None
 1.22A 4ydqA-3mpgA:
undetectable		 4ydqA-3mpgA:
21.54
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.
3pr2 TRYPTOPHAN SYNTHASE
BETA CHAIN

(Salmonella
enterica) 		PF00291
(PALP) 		5 LEU B  25
VAL B  17
PRO B 194
PHE B   9
GLY B 234
 None
None
None
None
7MN  B   2 (-3.4A)
 1.26A 4ydqA-3pr2B:
undetectable		 4ydqA-3pr2B:
22.33
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.
3quc INORGANIC
PYROPHOSPHATASE

(Bacteroides
thetaiotaomicron) 		PF13419
(HAD_2) 		5 LEU A 195
VAL A 199
PRO A 174
SER A  53
GLY A 146
 None
 1.21A 4ydqA-3qucA:
2.1		 4ydqA-3qucA:
18.67
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.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 LEU A 558
VAL A 600
PHE A 680
SER A 493
GLY A 649
 None
 0.95A 4ydqA-3rimA:
undetectable		 4ydqA-3rimA:
18.31
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.
3t1b TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY

(Vibrio cholerae) 		PF00126
(HTH_1)
PF03466
(LysR_substrate) 		5 LEU A 101
VAL A 160
PRO A 237
PHE A 244
SER A 228
 None
 1.29A 4ydqA-3t1bA:
undetectable		 4ydqA-3t1bA:
17.91
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.
4ast ALDO-KETO REDUCTASE
AKR14A1

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		5 LEU A 212
PRO A 194
HIS A  59
SER A  29
GLY A  31
 None
 1.30A 4ydqA-4astA:
undetectable		 4ydqA-4astA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4atb INTERLEUKIN
ENHANCER-BINDING
FACTOR 2

(Mus musculus) 		PF07528
(DZF) 		5 LEU A 262
PHE A  34
ARG A  43
GLU A  50
SER A 322
 None
 1.36A 4ydqA-4atbA:
undetectable		 4ydqA-4atbA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4beq ALANINE RACEMASE 2

(Vibrio cholerae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 LEU A 117
GLU A 110
VAL A 108
ARG A 106
GLU A 127
 None
 1.26A 4ydqA-4beqA:
undetectable		 4ydqA-4beqA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cza NA+/H+ ANTIPORTER,
PUTATIVE

(Pyrococcus
abyssi) 		PF00999
(Na_H_Exchanger) 		5 VAL A 405
PRO A 361
ARG A 362
GLU A 154
GLY A  96
 None
 1.37A 4ydqA-4czaA:
undetectable		 4ydqA-4czaA:
21.76
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.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 LEU A 260
VAL A 266
HIS A 274
PHE A 124
GLY A 323
 None
 1.21A 4ydqA-4f0lA:
undetectable		 4ydqA-4f0lA:
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.
4h2x AMINO
ACID--[ACYL-CARRIER-
PROTEIN] LIGASE 1

(Agrobacterium
fabrum;
Bradyrhizobium
diazoefficiens) 		no annotation 5 LEU B  76
PHE B  85
PRO B 128
ARG B 159
GLU B 176
 None
None
None
G5A  B 402 (-2.8A)
ZN  B 401 ( 2.3A)
 0.76A 4ydqA-4h2xB:
19.9		 4ydqA-4h2xB:
19.05
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.
4j7h EVAA 2,3-DEHYDRATASE

(Amycolatopsis
orientalis) 		PF03559
(Hexose_dehydrat) 		5 LEU A 385
VAL A 332
PRO A 370
HIS A 375
GLY A 300
 None
 1.29A 4ydqA-4j7hA:
undetectable		 4ydqA-4j7hA:
21.63
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.
4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Vibrio cholerae) 		PF01546
(Peptidase_M20) 		5 LEU A 250
GLU A 243
VAL A 245
PRO A 233
GLY A 214
 None
None
None
None
BU1  A 307 (-4.1A)
 1.15A 4ydqA-4op4A:
undetectable		 4ydqA-4op4A:
19.92
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.
4qei GLYCINE--TRNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 LEU A 135
PHE A 144
ARG A 277
GLU A 296
GLY A 406
 None
None
AMP  A 701 (-2.9A)
None
AMP  A 701 (-4.0A)
 1.20A 4ydqA-4qeiA:
23.7		 4ydqA-4qeiA:
23.01
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.
4qei GLYCINE--TRNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 LEU A 135
PRO A 244
ARG A 277
GLU A 296
GLY A 406
 None
None
AMP  A 701 (-2.9A)
None
AMP  A 701 (-4.0A)
 0.99A 4ydqA-4qeiA:
23.7		 4ydqA-4qeiA:
23.01
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.
4rk6 GLUCOSE-RESISTANCE
AMYLASE REGULATOR

(Weissella
paramesenteroides) 		PF13377
(Peripla_BP_3) 		5 LEU A 112
PHE A 121
VAL A  66
PHE A 305
GLY A  90
 None
 1.22A 4ydqA-4rk6A:
5.4		 4ydqA-4rk6A:
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.
4s38 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF04551
(GcpE) 		5 LEU A 323
PHE A 402
GLU A 335
PRO A 292
GLY A 357
 None
 1.32A 4ydqA-4s38A:
3.1		 4ydqA-4s38A:
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.
4tqo METHANOL
DEHYDROGENASE
PROTEIN, LARGE
SUBUNIT

(Methylococcus
capsulatus) 		no annotation 5 LEU B 390
PHE B 376
VAL B 388
SER B 341
GLY B 339
 None
 1.20A 4ydqA-4tqoB:
undetectable		 4ydqA-4tqoB:
20.67
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.
4wd9 NISIN BIOSYNTHESIS
PROTEIN NISB

(Lactococcus
lactis) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		5 GLU A 823
VAL A 824
GLU A 356
PHE A 342
GLY A 363
 None
 1.16A 4ydqA-4wd9A:
undetectable		 4ydqA-4wd9A:
19.62
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.
4yam BETA-ETHERASE

(Sphingobium sp.
SYK-6) 		PF13417
(GST_N_3) 		5 PHE A 237
GLU A 209
PRO A 205
PHE A 221
GLY A 232
 None
 1.32A 4ydqA-4yamA:
undetectable		 4ydqA-4yamA:
19.15
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) 		7 GLU A 392
ARG A 390
GLU A 409
HIS A 411
PHE A 454
SER A 508
GLY A 510
 ANP  A 801 (-3.6A)
ANP  A 801 ( 2.5A)
HFG  A 802 ( 4.9A)
HFG  A 802 (-4.5A)
HFG  A 802 (-3.6A)
HFG  A 802 ( 3.8A)
HFG  A 802 (-3.7A)
 1.29A 4ydqA-4ydqA:
59.3		 4ydqA-4ydqA:
100.00
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) 		12 LEU A 325
PHE A 335
GLU A 338
VAL A 339
PRO A 358
ARG A 390
TRP A 407
GLU A 409
HIS A 411
PHE A 454
SER A 508
GLY A 510
 None
HFG  A 802 (-3.4A)
MG  A 803 ( 4.1A)
HFG  A 802 (-4.1A)
HFG  A 802 (-4.2A)
ANP  A 801 ( 2.5A)
None
HFG  A 802 ( 4.9A)
HFG  A 802 (-4.5A)
HFG  A 802 (-3.6A)
HFG  A 802 ( 3.8A)
HFG  A 802 (-3.7A)
 0.00A 4ydqA-4ydqA:
59.3		 4ydqA-4ydqA:
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.
4zn2 PSLG

(Pseudomonas
aeruginosa) 		PF00150
(Cellulase) 		5 LEU A 264
PHE A 209
GLU A 211
PHE A 253
GLY A 278
 None
 1.23A 4ydqA-4zn2A:
undetectable		 4ydqA-4zn2A:
20.46
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.
5c6g AGR133CP
SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii;
Eremothecium
gossypii) 		PF10345
(Cohesin_load)
no annotation 		5 LEU B  33
PHE A 397
VAL A 340
SER A 452
GLY A 461
 None
 1.26A 4ydqA-5c6gB:
undetectable		 4ydqA-5c6gB:
20.12
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.
5cio PYRROLOQUINOLINE
QUINONE BIOSYNTHESIS
PROTEIN PQQF

(Serratia sp.
FS14) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 LEU A 562
VAL A 612
PRO A 628
PHE A 669
GLY A 636
 None
 1.11A 4ydqA-5cioA:
undetectable		 4ydqA-5cioA:
18.36
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.
5czw MYROILYSIN

(Myroides
profundi) 		PF01400
(Astacin) 		5 LEU A   7
PHE A  86
PHE A 144
SER A 106
GLY A 109
 None
MLY  A  70 ( 4.0A)
None
None
None
 1.23A 4ydqA-5czwA:
undetectable		 4ydqA-5czwA:
18.98
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.
5czw MYROILYSIN

(Myroides
profundi) 		PF01400
(Astacin) 		5 LEU A   7
PRO A  92
PHE A 144
SER A 106
GLY A 109
 None
 1.11A 4ydqA-5czwA:
undetectable		 4ydqA-5czwA:
18.98
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.
5dqr 7-HYDROXYMETHYL
CHLOROPHYLL A
REDUCTASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF04422
(FrhB_FdhB_N)
PF04432
(FrhB_FdhB_C) 		5 LEU A 286
GLU A 280
VAL A 281
HIS A 417
SER A 413
 None
 1.30A 4ydqA-5dqrA:
undetectable		 4ydqA-5dqrA:
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.
5fll 6-CARBOXYHEXANOATE-C
OA LIGASE

(Bacillus
subtilis) 		PF03744
(BioW) 		5 LEU A  46
GLU A  66
VAL A  10
HIS A  26
GLY A 143
 None
None
None
PPV  A 701 (-3.8A)
None
 1.24A 4ydqA-5fllA:
undetectable		 4ydqA-5fllA:
18.78
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.
5g0q BETA-GLUCURONIDASE

(Acidobacterium
capsulatum) 		PF03662
(Glyco_hydro_79n) 		5 LEU A 176
GLU A 245
GLU A  45
SER A  43
GLY A 328
 None
None
IF6  A1476 (-2.9A)
None
None
 1.24A 4ydqA-5g0qA:
undetectable		 4ydqA-5g0qA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g0q BETA-GLUCURONIDASE

(Acidobacterium
capsulatum) 		PF03662
(Glyco_hydro_79n) 		5 LEU A 176
GLU A 245
GLU A  45
SER A  43
GLY A 329
 None
None
IF6  A1476 (-2.9A)
None
None
 1.37A 4ydqA-5g0qA:
undetectable		 4ydqA-5g0qA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m1b 3-OCTAPRENYL-4-HYDRO
XYBENZOATE
CARBOXY-LYASE

(Escherichia
coli) 		PF01977
(UbiD) 		5 LEU A  22
PHE A  67
GLU A 328
GLU A 270
SER A 268
 None
 1.36A 4ydqA-5m1bA:
undetectable		 4ydqA-5m1bA:
21.61
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.
5o5j 30S RIBOSOMAL
PROTEIN S5
30S RIBOSOMAL
PROTEIN S8

(Mycolicibacterium
smegmatis;
Mycolicibacterium
smegmatis) 		PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C)
PF00410
(Ribosomal_S8) 		5 LEU H 101
GLU E 176
VAL E 178
ARG E 174
GLY E  69
 None
 1.05A 4ydqA-5o5jH:
undetectable		 4ydqA-5o5jH:
14.05
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.
5t79 ALDO-KETO REDUCTASE,
OXIDOREDUCTASE

(Salmonella
enterica) 		PF00248
(Aldo_ket_red) 		5 LEU A 211
PRO A 194
HIS A  59
SER A  29
GLY A  31
 None
None
None
None
NDP  A 404 (-3.0A)
 1.35A 4ydqA-5t79A:
undetectable		 4ydqA-5t79A:
21.22
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.
5u7z ACID CERAMIDASE

(Homo sapiens) 		no annotation 5 LEU B 221
PHE B 199
GLU B 258
VAL B 256
GLY B 206
 None
None
NAG  B 404 ( 2.7A)
None
None
 1.38A 4ydqA-5u7zB:
undetectable		 4ydqA-5u7zB:
undetectable
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 GLU A1154
ARG A1152
TRP A1169
SER A1272
GLY A1274
 91Y  A1601 (-4.6A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
 1.12A 4ydqA-5vadA:
49.2		 4ydqA-5vadA:
50.87
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) 		6 LEU A1087
GLU A1100
VAL A1101
ARG A1152
GLU A1171
GLY A1274
 None
None
None
PRO  A1602 ( 3.4A)
PRO  A1602 ( 4.7A)
PRO  A1602 (-3.7A)
 0.87A 4ydqA-5vadA:
49.2		 4ydqA-5vadA:
50.87
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) 		6 LEU A1087
GLU A1100
VAL A1101
ARG A1152
TRP A1169
GLY A1274
 None
None
None
PRO  A1602 ( 3.4A)
None
PRO  A1602 (-3.7A)
 1.06A 4ydqA-5vadA:
49.2		 4ydqA-5vadA:
50.87
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 LEU A1087
PHE A1097
VAL A1101
PHE A1216
GLY A1172
 None
None
None
PRO  A1602 (-4.3A)
None
 1.30A 4ydqA-5vadA:
49.2		 4ydqA-5vadA:
50.87
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) 		8 LEU A1087
VAL A1101
PRO A1120
ARG A1152
GLU A1171
HIS A1173
SER A1272
GLY A1274
 None
None
None
PRO  A1602 ( 3.4A)
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
 0.61A 4ydqA-5vadA:
49.2		 4ydqA-5vadA:
50.87
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 LEU A1087
VAL A1101
PRO A1120
ARG A1152
TRP A1169
SER A1272
GLY A1274
 None
None
None
PRO  A1602 ( 3.4A)
None
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
 0.86A 4ydqA-5vadA:
49.2		 4ydqA-5vadA:
50.87
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) 		8 LEU A1087
VAL A1101
PRO A1120
GLU A1171
HIS A1173
PHE A1216
SER A1272
GLY A1274
 None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
 0.76A 4ydqA-5vadA:
49.2		 4ydqA-5vadA:
50.87
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.
5vld HISTIDINOL
DEHYDROGENASE,
CHLOROPLASTIC

(Medicago
truncatula) 		PF00815
(Histidinol_dh) 		5 VAL A 167
PRO A 249
GLU A 367
HIS A 368
SER A 388
 None
NAD  A 502 (-4.1A)
HIS  A 501 ( 2.7A)
HIS  A 501 (-3.9A)
None
 1.19A 4ydqA-5vldA:
2.9		 4ydqA-5vldA:
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.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 5 GLU A 472
ARG A 470
GLU A 489
HIS A 491
SER A 588
 ANP  A1001 (-3.4A)
ANP  A1001 ( 2.9A)
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.6A)
 1.38A 4ydqA-5xiiA:
53.3		 4ydqA-5xiiA:
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.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 11 LEU A 405
PHE A 415
GLU A 418
VAL A 419
PRO A 438
ARG A 470
GLU A 489
HIS A 491
PHE A 534
SER A 588
GLY A 590
 None
86X  A1004 (-3.6A)
MG  A1003 (-4.1A)
86X  A1004 (-4.2A)
86X  A1004 (-4.3A)
ANP  A1001 ( 2.9A)
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.6A)
86X  A1004 (-3.6A)
86X  A1004 ( 4.2A)
 0.29A 4ydqA-5xiiA:
53.3		 4ydqA-5xiiA:
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.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 10 LEU A 405
PHE A 415
GLU A 418
VAL A 419
PRO A 438
ARG A 470
TRP A 487
PHE A 534
SER A 588
GLY A 590
 None
86X  A1004 (-3.6A)
MG  A1003 (-4.1A)
86X  A1004 (-4.2A)
86X  A1004 (-4.3A)
ANP  A1001 ( 2.9A)
None
86X  A1004 (-3.6A)
86X  A1004 (-3.6A)
86X  A1004 ( 4.2A)
 0.62A 4ydqA-5xiiA:
53.3		 4ydqA-5xiiA:
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.
5xil PUTATIVE PROLYL-TRNA
SYNTHETASE

(Leishmania
major) 		no annotation 6 TRP A 407
GLU A 409
HIS A 411
PHE A 454
SER A 510
GLY A 512
 None
 0.78A 4ydqA-5xilA:
46.3		 4ydqA-5xilA:
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.
5xio PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE)

(Cryptosporidium
parvum) 		no annotation 6 GLU A 364
ARG A 362
GLU A 381
HIS A 383
SER A 480
GLY A 482
 ANP  A 803 (-3.7A)
ANP  A 803 ( 3.1A)
HFG  A 801 ( 4.9A)
HFG  A 801 ( 4.7A)
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.9A)
 1.39A 4ydqA-5xioA:
50.6		 4ydqA-5xioA:
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.
5xio PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE)

(Cryptosporidium
parvum) 		no annotation 11 LEU A 297
PHE A 307
GLU A 310
VAL A 311
PRO A 330
ARG A 362
GLU A 381
HIS A 383
PHE A 426
SER A 480
GLY A 482
 None
HFG  A 801 (-3.7A)
None
HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
ANP  A 803 ( 3.1A)
HFG  A 801 ( 4.9A)
HFG  A 801 ( 4.7A)
HFG  A 801 (-3.7A)
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.9A)
 0.51A 4ydqA-5xioA:
50.6		 4ydqA-5xioA:
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.
5xio PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE)

(Cryptosporidium
parvum) 		no annotation 10 LEU A 297
PHE A 307
GLU A 310
VAL A 311
PRO A 330
ARG A 362
TRP A 379
PHE A 426
SER A 480
GLY A 482
 None
HFG  A 801 (-3.7A)
None
HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
ANP  A 803 ( 3.1A)
None
HFG  A 801 (-3.7A)
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.9A)
 0.77A 4ydqA-5xioA:
50.6		 4ydqA-5xioA:
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.
5xip PROLYL-TRNA
SYNTHETASE, PUTATIVE

(Eimeria tenella) 		no annotation 7 GLU A 392
ARG A 390
TRP A 407
GLU A 409
HIS A 411
SER A 508
GLY A 510
 ANP  A1001 (-3.8A)
ANP  A1001 (-2.8A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
HFG  A1003 ( 3.9A)
HFG  A1003 ( 3.9A)
 1.37A 4ydqA-5xipA:
51.8		 4ydqA-5xipA:
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.
5xip PROLYL-TRNA
SYNTHETASE, PUTATIVE

(Eimeria tenella) 		no annotation 12 LEU A 325
PHE A 335
GLU A 338
VAL A 339
PRO A 358
ARG A 390
TRP A 407
GLU A 409
HIS A 411
PHE A 454
SER A 508
GLY A 510
 None
HFG  A1003 (-3.8A)
MG  A1002 ( 4.3A)
HFG  A1003 ( 4.6A)
HFG  A1003 (-4.3A)
ANP  A1001 (-2.8A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
HFG  A1003 (-3.4A)
HFG  A1003 ( 3.9A)
HFG  A1003 ( 3.9A)
 0.74A 4ydqA-5xipA:
51.8		 4ydqA-5xipA:
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.
5xxu RIBOSOMAL PROTEIN
US3
RIBOSOMAL PROTEIN
ES10

(Toxoplasma
gondii;
Toxoplasma
gondii) 		PF00189
(Ribosomal_S3_C)
PF07650
(KH_2)
PF03501
(S10_plectin) 		5 PHE K  75
GLU D  70
ARG D  67
GLU D  33
GLY D  35
 None
 1.22A 4ydqA-5xxuK:
undetectable		 4ydqA-5xxuK:
14.34
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.
5y7o UGGT

(Thermomyces
dupontii) 		PF06427
(UDP-g_GGTase) 		5 LEU A 503
PHE A 535
VAL A 485
HIS A 508
SER A 509
 None
 1.23A 4ydqA-5y7oA:
3.1		 4ydqA-5y7oA:
17.48
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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum) 		no annotation 5 LEU A 186
VAL A 209
PRO A 206
SER A 242
GLY A 360
 None
 1.35A 4ydqA-6ercA:
undetectable		 4ydqA-6ercA:
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.
6grw -

(-) 		no annotation 5 PRO A 407
GLU A 290
HIS A 266
SER A 267
GLY A 292
 None
 1.17A 4ydqA-6grwA:
undetectable		 4ydqA-6grwA:
undetectable