SIMILAR PATTERNS OF AMINO ACIDS FOR 4OLF_A_HFGA802

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.
1aql BILE-SALT ACTIVATED
LIPASE

(Bos taurus) 		PF00135
(COesterase) 		5 VAL A 460
GLU A 193
HIS A 435
THR A 397
GLY A 221
 None
 1.22A 4olfA-1aqlA:
undetectable		 4olfA-1aqlA:
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.
1dbv GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 PHE O 157
VAL O 160
THR O 208
SER O 148
GLY O 209
 None
None
SO4  O 339 (-4.1A)
SO4  O 339 (-2.9A)
SO4  O 339 (-4.1A)
 1.47A 4olfA-1dbvO:
4.3		 4olfA-1dbvO:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gpl RP2 LIPASE

(Cavia porcellus) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 GLU A 160
VAL A 123
PRO A  29
THR A  20
GLY A  19
 None
 1.47A 4olfA-1gplA:
undetectable		 4olfA-1gplA:
20.60
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  90
TRP A 158
THR A 228
TRP A 259
GLY A 260
 None
 1.12A 4olfA-1hc7A:
46.0		 4olfA-1hc7A:
42.50
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 GLU A 144
TRP A 158
GLU A 160
THR A 228
TRP A 259
GLY A 260
 None
 1.15A 4olfA-1hc7A:
46.0		 4olfA-1hc7A:
42.50
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 PRO A 110
TRP A 158
GLU A 160
HIS A 162
PHE A 205
THR A 228
SER A 258
TRP A 259
GLY A 260
 None
 0.60A 4olfA-1hc7A:
46.0		 4olfA-1hc7A:
42.50
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.
1jn0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
A

(Spinacia
oleracea) 		no annotation 5 PHE O 157
VAL O 160
THR O 208
SER O 148
GLY O 209
 None
None
SO4  O6337 (-3.4A)
SO4  O6337 (-3.5A)
SO4  O6337 (-3.7A)
 1.35A 4olfA-1jn0O:
2.5		 4olfA-1jn0O:
19.96
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.
1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01063
(Aminotran_4) 		5 GLU A 288
VAL A 257
PRO A 259
TRP A 194
GLY A 199
 None
 1.22A 4olfA-1kt8A:
undetectable		 4olfA-1kt8A:
18.83
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  96
VAL A  97
HIS A 170
PHE A 212
THR A 235
GLY A 267
 None
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.88A 4olfA-1nj1A:
44.2		 4olfA-1nj1A:
32.65
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 GLU A  96
VAL A  97
PRO A 116
GLU A 168
HIS A 170
THR A 235
GLY A 267
 None
None
None
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.49A 4olfA-1nj1A:
44.2		 4olfA-1nj1A:
32.65
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
HIS A 170
PHE A 212
THR A 235
GLY A 267
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 1.00A 4olfA-1nj1A:
44.2		 4olfA-1nj1A:
32.65
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
GLU A 168
HIS A 170
THR A 235
GLY A 267
 5CA  A 512 (-4.1A)
None
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 1.06A 4olfA-1nj1A:
44.2		 4olfA-1nj1A:
32.65
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 PHE A  93
GLU A  96
PHE A 212
THR A 235
GLY A 267
 None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 1.29A 4olfA-1nj1A:
44.2		 4olfA-1nj1A:
32.65
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
 1.31A 4olfA-1nj1A:
44.2		 4olfA-1nj1A:
32.65
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
 1.28A 4olfA-1nj8A:
42.4		 4olfA-1nj8A:
35.17
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 VAL A  81
PRO A 100
GLU A 152
HIS A 154
THR A 219
GLY A 251
 None
 0.43A 4olfA-1nj8A:
42.4		 4olfA-1nj8A:
35.17
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
HIS A 154
PHE A 196
THR A 219
 None
 0.96A 4olfA-1nj8A:
42.4		 4olfA-1nj8A:
35.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rp1 PANCREATIC LIPASE
RELATED PROTEIN 1

(Canis lupus) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 GLU A 160
VAL A 123
PRO A  29
THR A  20
GLY A  19
 None
 1.36A 4olfA-1rp1A:
2.6		 4olfA-1rp1A:
19.96
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.
1twd COPPER HOMEOSTASIS
PROTEIN CUTC

(Shigella
flexneri) 		PF03932
(CutC) 		5 VAL A  82
PRO A  56
GLU A   5
HIS A 196
SER A 198
 None
 1.49A 4olfA-1twdA:
undetectable		 4olfA-1twdA:
17.25
Potential target for repurposing, i.e. matched protein structure has less than 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)
 1.22A 4olfA-1u2vA:
undetectable		 4olfA-1u2vA:
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.
1vi7 HYPOTHETICAL PROTEIN
YIGZ

(Escherichia
coli) 		PF01205
(UPF0029)
PF09186
(DUF1949) 		5 GLU A 141
PRO A 138
GLU A  97
HIS A  31
GLY A  34
 None
 1.46A 4olfA-1vi7A:
undetectable		 4olfA-1vi7A:
18.47
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.
2dgk GLUTAMATE
DECARBOXYLASE BETA

(Escherichia
coli) 		PF00282
(Pyridoxal_deC) 		5 VAL A 205
PRO A 207
PHE A 188
THR A 214
GLY A 215
 None
 1.27A 4olfA-2dgkA:
2.0		 4olfA-2dgkA:
20.11
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.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Staphylococcus
aureus) 		PF01425
(Amidase) 		5 VAL A 226
PRO A 215
THR A 175
SER A 154
GLY A 177
 None
None
GLN  A 501 (-4.2A)
GLN  A 501 (-2.9A)
GLN  A 501 (-4.1A)
 1.43A 4olfA-2f2aA:
undetectable		 4olfA-2f2aA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hxg L-ARABINOSE
ISOMERASE

(Escherichia
coli) 		PF02610
(Arabinose_Isome)
PF11762
(Arabinose_Iso_C) 		5 PHE A  11
VAL A   9
THR A 126
SER A  84
GLY A 130
 None
 1.41A 4olfA-2hxgA:
5.7		 4olfA-2hxgA:
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.
2iu4 DIHYDROXYACETONE
KINASE

(Lactococcus
lactis) 		PF02733
(Dak1) 		5 PHE A 288
VAL A 310
GLU A 164
THR A 323
GLY A  65
 None
None
None
None
SO4  A1373 (-3.9A)
 1.23A 4olfA-2iu4A:
undetectable		 4olfA-2iu4A:
21.36
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.
2iun AVIAN ADENOVIRUS
CELO LONG FIBRE

(Fowl
aviadenovirus A) 		PF16812
(AdHead_fibreRBD) 		5 PRO A 723
PHE A 768
THR A 766
SER A 644
GLY A 765
 None
 1.47A 4olfA-2iunA:
undetectable		 4olfA-2iunA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE

(Arabidopsis
thaliana) 		PF01487
(DHquinase_I)
PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 PHE A 586
HIS A 357
THR A 381
SER A 336
GLY A 330
 None
None
DHK  A4733 (-3.9A)
DHK  A4733 (-2.5A)
None
 1.45A 4olfA-2o7qA:
4.1		 4olfA-2o7qA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pbh PROCATHEPSIN B

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08127
(Propeptide_C1) 		5 GLU A  53
VAL A  54
THR A 223
TRP A 225
GLY A 229
 None
 1.05A 4olfA-2pbhA:
undetectable		 4olfA-2pbhA:
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.
2ppl PANCREATIC
LIPASE-RELATED
PROTEIN 1

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 GLU A 179
VAL A 142
PRO A  46
THR A  37
GLY A  36
 None
 1.45A 4olfA-2pplA:
2.5		 4olfA-2pplA:
22.51
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.
2pvs PANCREATIC
LIPASE-RELATED
PROTEIN 2

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 GLU A 160
VAL A 123
PRO A  27
THR A  18
GLY A  17
 None
 1.29A 4olfA-2pvsA:
undetectable		 4olfA-2pvsA:
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.
2vad RED FLUORESCENT
PROTEIN

(Discosoma sp.) 		PF01353
(GFP) 		5 PHE A 124
VAL A 122
HIS A 163
THR A 140
GLY A 142
 None
None
CRQ  A  66 ( 3.9A)
None
None
 1.17A 4olfA-2vadA:
undetectable		 4olfA-2vadA:
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.
3b9y AMMONIUM TRANSPORTER
FAMILY RH-LIKE
PROTEIN

(Nitrosomonas
europaea) 		PF00909
(Ammonium_transp) 		5 PHE A 110
GLU A 109
VAL A 112
THR A 235
GLY A 271
 UNL  A 420 (-3.6A)
None
None
None
None
 1.44A 4olfA-3b9yA:
undetectable		 4olfA-3b9yA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bqy PUTATIVE TETR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		5 PHE A 124
VAL A 129
PHE A 111
THR A 157
GLY A 155
 None
 1.25A 4olfA-3bqyA:
undetectable		 4olfA-3bqyA:
16.04
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.
3cdx SUCCINYLGLUTAMATEDES
UCCINYLASE/ASPARTOAC
YLASE

(Rhodobacter
sphaeroides) 		PF04952
(AstE_AspA) 		5 VAL A 187
GLU A  65
HIS A  62
THR A  58
GLY A  60
 None
CA  A 401 (-2.0A)
CA  A 401 (-3.4A)
None
None
 1.45A 4olfA-3cdxA:
undetectable		 4olfA-3cdxA:
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.
3dfy MUCONATE
CYCLOISOMERASE

(Thermotoga
maritima) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 PHE A  86
VAL A  79
HIS A 305
THR A 310
GLY A 309
 None
 1.45A 4olfA-3dfyA:
undetectable		 4olfA-3dfyA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f44 PUTATIVE
MONOOXYGENASE

(Lactobacillus
acidophilus) 		PF03992
(ABM) 		5 VAL A 124
GLU A 169
HIS A 180
THR A 101
SER A 143
 None
 1.41A 4olfA-3f44A:
undetectable		 4olfA-3f44A:
18.70
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.
3g9k CAPSULE BIOSYNTHESIS
PROTEIN CAPD

(Bacillus
anthracis) 		no annotation 5 GLU L  60
PRO L  56
GLU L  87
HIS L  89
GLY L  84
 None
 1.32A 4olfA-3g9kL:
undetectable		 4olfA-3g9kL:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.11A 4olfA-3i04A:
4.6		 4olfA-3i04A:
21.04
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) 		6 GLU A 125
PRO A 145
TRP A 194
GLU A 196
HIS A 198
GLY A 296
 None
None
None
PR8  A 601 (-4.5A)
PR8  A 601 ( 4.5A)
PR8  A 601 (-3.4A)
 0.45A 4olfA-3ialA:
43.8		 4olfA-3ialA:
33.46
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.
3k2b GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
A, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 PHE A 157
VAL A 160
THR A 208
SER A 148
GLY A 209
 None
None
SO4  A 337 (-3.4A)
SO4  A 337 (-3.1A)
SO4  A 337 (-4.0A)
 1.42A 4olfA-3k2bA:
2.0		 4olfA-3k2bA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kx6 FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Babesia bovis) 		PF00274
(Glycolytic) 		5 PHE A  61
VAL A  91
PRO A 101
SER A 298
GLY A  26
 None
None
None
CIT  A 400 (-4.9A)
None
 1.50A 4olfA-3kx6A:
undetectable		 4olfA-3kx6A:
22.54
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M

(Escherichia
coli;
Escherichia
coli) 		no annotation
no annotation 		5 PHE L 171
VAL L 176
GLU M 407
HIS M 322
THR M 401
 None
 1.11A 4olfA-3rkoL:
undetectable		 4olfA-3rkoL:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uf6 LMO1369 PROTEIN

(Listeria
monocytogenes) 		PF01515
(PTA_PTB) 		5 GLU A 174
VAL A 175
PRO A 201
SER A 222
GLY A 224
 None
 1.22A 4olfA-3uf6A:
3.8		 4olfA-3uf6A:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vsk PENICILLIN-BINDING
PROTEIN 3

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 PHE A 421
PRO A 514
PHE A 454
THR A 456
SER A 521
 None
 1.44A 4olfA-3vskA:
undetectable		 4olfA-3vskA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ast ALDO-KETO REDUCTASE
AKR14A1

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		5 VAL A 203
PRO A 194
HIS A  59
SER A  29
GLY A  31
 None
 1.38A 4olfA-4astA:
undetectable		 4olfA-4astA:
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.
4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC

(Escherichia
coli) 		PF01520
(Amidase_3)
PF11741
(AMIN) 		5 VAL A  83
TRP A  42
GLU A 199
SER A 201
GLY A 198
 None
 1.36A 4olfA-4binA:
5.3		 4olfA-4binA:
22.45
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.
4d2j FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Toxoplasma
gondii) 		PF00274
(Glycolytic) 		5 PHE A 134
VAL A 164
PRO A 174
SER A 371
GLY A  99
 None
 1.49A 4olfA-4d2jA:
undetectable		 4olfA-4d2jA:
20.68
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.
4d48 GLUCOSE-1-PHOSPHATE
URIDYLYLTRANSFERASE

(Erwinia
amylovora) 		PF00483
(NTP_transferase) 		5 VAL A 119
PRO A  14
GLU A  32
THR A  20
GLY A  19
 None
 1.29A 4olfA-4d48A:
undetectable		 4olfA-4d48A:
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.
4de9 PUTATIVE
TRANSCRIPTIONAL
REGULATOR YWTF

(Bacillus
subtilis) 		PF03816
(LytR_cpsA_psr) 		5 GLU A 161
HIS A 136
PHE A 132
SER A  96
GLY A  80
 None
None
None
None
VTP  A 401 ( 4.0A)
 1.41A 4olfA-4de9A:
undetectable		 4olfA-4de9A:
20.19
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.
4jrf PUTATIVE CELL
ADHESION PROTEIN

(Bacteroides
ovatus) 		PF15495
(Fimbrillin_C) 		5 PRO A 484
GLU A 417
PHE A 434
SER A 419
GLY A 415
 None
 1.45A 4olfA-4jrfA:
undetectable		 4olfA-4jrfA:
19.87
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.
4mk3 GLUTATHIONE
S-TRANSFERASE

(Cupriavidus
metallidurans) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 GLU A  21
VAL A  18
PHE A 186
THR A 146
GLY A 150
 None
 1.13A 4olfA-4mk3A:
undetectable		 4olfA-4mk3A:
17.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Vibrio cholerae) 		PF01546
(Peptidase_M20) 		5 GLU A 243
VAL A 245
PRO A 233
THR A 215
GLY A 214
 None
None
None
EDO  A 311 ( 4.9A)
BU1  A 307 (-4.1A)
 1.18A 4olfA-4op4A:
2.1		 4olfA-4op4A:
19.44
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.
4qo5 HYPOTHETICAL
MULTIHEME PROTEIN

(Ignicoccus
hospitalis) 		PF13435
(Cytochrome_C554)
PF13447
(Multi-haem_cyto) 		5 VAL A 221
PRO A 131
HIS A 250
THR A  48
GLY A 106
 HEC  A 601 (-3.9A)
HEC  A 601 ( 4.1A)
HEC  A 602 (-3.3A)
None
HEC  A 602 (-4.2A)
 1.49A 4olfA-4qo5A:
undetectable		 4olfA-4qo5A:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rl3 CHITINASE A

(Pteris
ryukyuensis) 		PF00704
(Glyco_hydro_18) 		5 VAL A 180
PHE A 383
THR A 342
SER A 379
GLY A 343
 None
 1.23A 4olfA-4rl3A:
undetectable		 4olfA-4rl3A:
18.29
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.
4wed ABC TRANSPORTER,
PERIPLASMIC
SOLUTE-BINDING
PROTEIN

(Sinorhizobium
meliloti) 		PF00496
(SBP_bac_5) 		5 PHE A 246
GLU A 513
PRO A 250
GLU A 255
GLY A 256
 None
 1.34A 4olfA-4wedA:
undetectable		 4olfA-4wedA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yb9 SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 5

(Bos taurus) 		PF00083
(Sugar_tr) 		5 VAL D 164
PRO D 393
THR D 452
SER D 291
GLY D 287
 None
 1.48A 4olfA-4yb9D:
undetectable		 4olfA-4yb9D:
21.23
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.
4ybq SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 5

(Rattus
norvegicus) 		PF00083
(Sugar_tr) 		5 VAL A 163
PRO A 392
THR A 451
SER A 290
GLY A 286
 None
 1.34A 4olfA-4ybqA:
undetectable		 4olfA-4ybqA:
21.07
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
GLU A 409
HIS A 411
THR A 478
SER A 508
TRP A 509
GLY A 510
 ANP  A 801 (-3.6A)
HFG  A 802 ( 4.9A)
HFG  A 802 (-4.5A)
HFG  A 802 ( 4.0A)
HFG  A 802 ( 3.8A)
None
HFG  A 802 (-3.7A)
 1.14A 4olfA-4ydqA:
54.2		 4olfA-4ydqA:
97.63
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) 		11 PHE A 335
GLU A 338
VAL A 339
PRO A 358
GLU A 409
HIS A 411
PHE A 454
THR A 478
SER A 508
TRP A 509
GLY A 510
 HFG  A 802 (-3.4A)
MG  A 803 ( 4.1A)
HFG  A 802 (-4.1A)
HFG  A 802 (-4.2A)
HFG  A 802 ( 4.9A)
HFG  A 802 (-4.5A)
HFG  A 802 (-3.6A)
HFG  A 802 ( 4.0A)
HFG  A 802 ( 3.8A)
None
HFG  A 802 (-3.7A)
 0.30A 4olfA-4ydqA:
54.2		 4olfA-4ydqA:
97.63
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) 		10 PHE A 335
GLU A 338
VAL A 339
PRO A 358
TRP A 407
PHE A 454
THR A 478
SER A 508
TRP A 509
GLY A 510
 HFG  A 802 (-3.4A)
MG  A 803 ( 4.1A)
HFG  A 802 (-4.1A)
HFG  A 802 (-4.2A)
None
HFG  A 802 (-3.6A)
HFG  A 802 ( 4.0A)
HFG  A 802 ( 3.8A)
None
HFG  A 802 (-3.7A)
 0.61A 4olfA-4ydqA:
54.2		 4olfA-4ydqA:
97.63
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) 		5 PHE A 335
HIS A 411
PHE A 454
THR A 460
SER A 508
 HFG  A 802 (-3.4A)
HFG  A 802 (-4.5A)
HFG  A 802 (-3.6A)
None
HFG  A 802 ( 3.8A)
 1.40A 4olfA-4ydqA:
54.2		 4olfA-4ydqA:
97.63
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.
5czw MYROILYSIN

(Myroides
profundi) 		PF01400
(Astacin) 		5 PHE A  86
PRO A  92
PHE A 144
SER A 106
GLY A 109
 MLY  A  70 ( 4.0A)
None
None
None
None
 1.21A 4olfA-5czwA:
undetectable		 4olfA-5czwA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ft3 GLUTATHIONE
S-TRANSFERASE
EPSILON 2

(Aedes aegypti) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		5 VAL A  11
PRO A  13
GLU A 103
HIS A  69
GLY A 105
 None
GSH  A1221 ( 4.2A)
None
GSH  A1221 (-4.4A)
None
 1.49A 4olfA-5ft3A:
undetectable		 4olfA-5ft3A:
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.
5ft3 GLUTATHIONE
S-TRANSFERASE
EPSILON 2

(Aedes aegypti) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		5 VAL A 207
PRO A  13
GLU A 103
HIS A  69
GLY A 105
 None
GSH  A1221 ( 4.2A)
None
GSH  A1221 (-4.4A)
None
 1.49A 4olfA-5ft3A:
undetectable		 4olfA-5ft3A:
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.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis) 		PF14592
(Chondroitinas_B) 		5 VAL A 431
PRO A 429
TRP A 427
PHE A  60
GLY A  78
 None
 1.12A 4olfA-5gkqA:
undetectable		 4olfA-5gkqA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oms CYTOCHROME P450

(Amycolatopsis
sp. ATCC 39116) 		no annotation 5 GLU A 389
VAL A 388
PRO A 398
THR A 170
GLY A 394
 None
 1.46A 4olfA-5omsA:
undetectable		 4olfA-5omsA:
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.
5t79 ALDO-KETO REDUCTASE,
OXIDOREDUCTASE

(Salmonella
enterica) 		PF00248
(Aldo_ket_red) 		5 VAL A 203
PRO A 194
HIS A  59
SER A  29
GLY A  31
 None
None
None
None
NDP  A 404 (-3.0A)
 1.42A 4olfA-5t79A:
undetectable		 4olfA-5t79A:
20.77
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) 		10 GLU A1100
VAL A1101
TRP A1169
GLU A1171
HIS A1173
PHE A1216
THR A1240
SER A1272
TRP A1273
GLY A1274
 None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
None
PRO  A1602 (-3.7A)
 0.74A 4olfA-5vadA:
49.5		 4olfA-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 GLU A1154
TRP A1169
PHE A1216
THR A1240
SER A1272
TRP A1273
GLY A1274
 91Y  A1601 (-4.6A)
None
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
None
PRO  A1602 (-3.7A)
 0.89A 4olfA-5vadA:
49.5		 4olfA-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) 		10 VAL A1101
PRO A1120
TRP A1169
GLU A1171
HIS A1173
PHE A1216
THR A1240
SER A1272
TRP A1273
GLY A1274
 None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
None
PRO  A1602 (-3.7A)
 0.56A 4olfA-5vadA:
49.5		 4olfA-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.
5wrt SOLUBLE INORGANIC
PYROPHOSPHATASE

(Toxoplasma
gondii) 		no annotation 5 GLU A 183
GLU A 178
HIS A 300
TRP A 173
GLY A 189
 None
 1.38A 4olfA-5wrtA:
undetectable		 4olfA-5wrtA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 7 GLU A 472
TRP A 487
GLU A 489
HIS A 491
THR A 558
SER A 588
TRP A 589
 ANP  A1001 (-3.4A)
None
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.9A)
86X  A1004 (-3.6A)
None
 1.17A 4olfA-5xiiA:
52.6		 4olfA-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 12 PHE A 415
GLU A 418
VAL A 419
PRO A 438
TRP A 487
GLU A 489
HIS A 491
PHE A 534
THR A 558
SER A 588
TRP A 589
GLY A 590
 86X  A1004 (-3.6A)
MG  A1003 (-4.1A)
86X  A1004 (-4.2A)
86X  A1004 (-4.3A)
None
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.6A)
86X  A1004 (-3.9A)
86X  A1004 (-3.6A)
None
86X  A1004 ( 4.2A)
 0.33A 4olfA-5xiiA:
52.6		 4olfA-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 5 PHE A 415
HIS A 491
PHE A 534
THR A 540
SER A 588
 86X  A1004 (-3.6A)
86X  A1004 ( 4.8A)
86X  A1004 (-3.6A)
None
86X  A1004 (-3.6A)
 1.36A 4olfA-5xiiA:
52.6		 4olfA-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 8 TRP A 407
GLU A 409
HIS A 411
PHE A 454
THR A 478
SER A 510
TRP A 511
GLY A 512
 None
 0.42A 4olfA-5xilA:
46.1		 4olfA-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 8 GLU A 364
TRP A 379
GLU A 381
HIS A 383
THR A 450
SER A 480
TRP A 481
GLY A 482
 ANP  A 803 (-3.7A)
None
HFG  A 801 ( 4.9A)
HFG  A 801 ( 4.7A)
ANP  A 803 (-3.9A)
HFG  A 801 ( 3.8A)
None
HFG  A 801 (-3.9A)
 1.21A 4olfA-5xioA:
52.7		 4olfA-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 9 PHE A 307
GLU A 310
VAL A 311
PRO A 330
TRP A 379
GLU A 381
PHE A 426
THR A 450
GLY A 482
 HFG  A 801 (-3.7A)
None
HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
None
HFG  A 801 ( 4.9A)
HFG  A 801 (-3.7A)
ANP  A 803 (-3.9A)
HFG  A 801 (-3.9A)
 0.59A 4olfA-5xioA:
52.7		 4olfA-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 PHE A 307
VAL A 311
PRO A 330
TRP A 379
GLU A 381
HIS A 383
PHE A 426
THR A 450
SER A 480
TRP A 481
GLY A 482
 HFG  A 801 (-3.7A)
HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
None
HFG  A 801 ( 4.9A)
HFG  A 801 ( 4.7A)
HFG  A 801 (-3.7A)
ANP  A 803 (-3.9A)
HFG  A 801 ( 3.8A)
None
HFG  A 801 (-3.9A)
 0.38A 4olfA-5xioA:
52.7		 4olfA-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 11 GLU A 338
VAL A 339
PRO A 358
TRP A 407
GLU A 409
HIS A 411
PHE A 454
THR A 478
SER A 508
TRP A 509
GLY A 510
 MG  A1002 ( 4.3A)
HFG  A1003 ( 4.6A)
HFG  A1003 (-4.3A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
HFG  A1003 (-3.4A)
ANP  A1001 ( 3.7A)
HFG  A1003 ( 3.9A)
None
HFG  A1003 ( 3.9A)
 0.33A 4olfA-5xipA:
51.4		 4olfA-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 8 GLU A 392
TRP A 407
GLU A 409
HIS A 411
THR A 478
SER A 508
TRP A 509
GLY A 510
 ANP  A1001 (-3.8A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
ANP  A1001 ( 3.7A)
HFG  A1003 ( 3.9A)
None
HFG  A1003 ( 3.9A)
 1.11A 4olfA-5xipA:
51.4		 4olfA-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 11 PHE A 335
GLU A 338
VAL A 339
PRO A 358
TRP A 407
GLU A 409
HIS A 411
THR A 478
SER A 508
TRP A 509
GLY A 510
 HFG  A1003 (-3.8A)
MG  A1002 ( 4.3A)
HFG  A1003 ( 4.6A)
HFG  A1003 (-4.3A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
ANP  A1001 ( 3.7A)
HFG  A1003 ( 3.9A)
None
HFG  A1003 ( 3.9A)
 0.58A 4olfA-5xipA:
51.4		 4olfA-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.
6fwf NITRIC-OXIDE
REDUCTASE

(Neisseria
meningitidis) 		no annotation 5 VAL A 381
PHE A 403
THR A  63
TRP A  61
GLY A  65
 None
 1.06A 4olfA-6fwfA:
undetectable		 4olfA-6fwfA:
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
 1.11A 4olfA-6grwA:
undetectable		 4olfA-6grwA:
undetectable
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) 		4 THR A 111
GLU A 113
ARG A 142
HIS A 230
 None
 1.19A 4olfA-1hc7A:
46.0		 4olfA-1hc7A:
42.50
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) 		4 THR A 117
GLU A 119
ARG A 148
HIS A 237
 5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
5CA  A 512 (-4.4A)
 0.51A 4olfA-1nj1A:
44.2		 4olfA-1nj1A:
32.65
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.
2h39 PROBABLE
GALACTOSE-1-PHOSPHAT
E URIDYL TRANSFERASE

(Arabidopsis
thaliana) 		PF01087
(GalP_UDP_transf)
PF02744
(GalP_UDP_tr_C) 		4 THR A 243
GLU A 247
ARG A  33
HIS A 295
 None
 1.03A 4olfA-2h39A:
0.3		 4olfA-2h39A:
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.
3eeg 2-ISOPROPYLMALATE
SYNTHASE

(Cytophaga
hutchinsonii) 		PF00682
(HMGL-like) 		4 THR A  10
GLU A 226
ARG A  13
HIS A 204
 None
 1.37A 4olfA-3eegA:
undetectable		 4olfA-3eegA:
21.72
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) 		4 THR A 146
GLU A 148
ARG A 177
HIS A 266
 PR8  A 601 (-4.0A)
PR8  A 601 (-3.0A)
PR8  A 601 ( 4.3A)
PR8  A 601 ( 3.9A)
 0.35A 4olfA-3ialA:
43.8		 4olfA-3ialA:
33.46
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) 		4 THR A 359
GLU A 361
ARG A 390
HIS A 480
 HFG  A 802 (-3.2A)
HFG  A 802 (-2.9A)
ANP  A 801 ( 2.5A)
HFG  A 802 (-4.0A)
 0.27A 4olfA-4ydqA:
54.2		 4olfA-4ydqA:
97.63
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) 		4 THR A1121
GLU A1123
ARG A1152
HIS A1242
 PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
PRO  A1602 ( 3.4A)
PRO  A1602 (-4.1A)
 0.51A 4olfA-5vadA:
49.5		 4olfA-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.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 4 THR A 439
GLU A 441
ARG A 470
HIS A 560
 86X  A1004 (-3.6A)
86X  A1004 (-3.0A)
ANP  A1001 ( 2.9A)
86X  A1004 (-3.7A)
 0.27A 4olfA-5xiiA:
52.6		 4olfA-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.
5xio PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE)

(Cryptosporidium
parvum) 		no annotation 4 THR A 331
GLU A 333
ARG A 362
HIS A 452
 HFG  A 801 (-3.4A)
HFG  A 801 (-3.0A)
ANP  A 803 ( 3.1A)
HFG  A 801 (-4.2A)
 0.34A 4olfA-5xioA:
52.7		 4olfA-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 4 THR A 359
GLU A 361
ARG A 390
HIS A 480
 HFG  A1003 (-3.9A)
HFG  A1003 (-2.9A)
ANP  A1001 (-2.8A)
HFG  A1003 (-3.5A)
 0.47A 4olfA-5xipA:
51.4		 4olfA-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.
5ydl PKS

(Streptomyces
sp. CNQ431) 		no annotation 4 THR A 353
GLU A 345
ARG A 357
HIS A 373
 None
 1.25A 4olfA-5ydlA:
undetectable		 4olfA-5ydlA:
undetectable