SIMILAR PATTERNS OF AMINO ACIDS FOR 4HVC_A_HFGA1602_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.
1a5c FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE

(Plasmodium
falciparum) 		PF00274
(Glycolytic) 		5 PHE A  69
VAL A  99
PRO A 109
SER A 306
GLY A  34
 None
 1.47A 4hvcA-1a5cA:
undetectable		 4hvcA-1a5cA:
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.
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 4hvcA-1gplA:
undetectable		 4hvcA-1gplA:
22.24
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
THR A 228
GLY A 260
 None
 0.86A 4hvcA-1hc7A:
46.7		 4hvcA-1hc7A:
43.21
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) 		8 PRO A 110
TRP A 158
GLU A 160
HIS A 162
PHE A 205
THR A 228
SER A 258
GLY A 260
 None
 0.67A 4hvcA-1hc7A:
46.7		 4hvcA-1hc7A:
43.21
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.
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)
 1.39A 4hvcA-1jn0O:
5.1		 4hvcA-1jn0O:
20.31
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.
1lwu FIBRINOGEN GAMMA
CHAIN

(Petromyzon
marinus) 		PF00147
(Fibrinogen_C) 		5 HIS C 196
GLU C 186
PHE C 182
SER C 165
GLY C 190
 None
 1.48A 4hvcA-1lwuC:
undetectable		 4hvcA-1lwuC:
19.44
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
GLU A 168
HIS A 170
PHE A 212
THR A 235
GLY A 267
 None
None
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.96A 4hvcA-1nj1A:
43.9		 4hvcA-1nj1A:
35.96
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)
 0.55A 4hvcA-1nj1A:
43.9		 4hvcA-1nj1A:
35.96
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
GLU A 168
HIS A 170
PHE A 212
THR A 235
GLY A 267
 5CA  A 512 (-4.1A)
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.85A 4hvcA-1nj1A:
43.9		 4hvcA-1nj1A:
35.96
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)
 0.94A 4hvcA-1nj1A:
43.9		 4hvcA-1nj1A:
35.96
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
VAL A  97
THR A 235
GLY A 267
 None
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 1.27A 4hvcA-1nj1A:
43.9		 4hvcA-1nj1A:
35.96
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
 1.23A 4hvcA-1nj1A:
43.9		 4hvcA-1nj1A:
35.96
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 4hvcA-1nj8A:
42.6		 4hvcA-1nj8A:
36.67
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
 0.44A 4hvcA-1nj8A:
42.6		 4hvcA-1nj8A:
36.67
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.
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
 1.39A 4hvcA-1rp1A:
undetectable		 4hvcA-1rp1A:
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.
1tvp CELLULASE

(Pseudoalteromonas
haloplanktis) 		PF00150
(Cellulase) 		5 HIS A 253
PHE A 246
GLU A 131
THR A 169
GLY A 168
 None
 1.47A 4hvcA-1tvpA:
undetectable		 4hvcA-1tvpA:
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.
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
 1.40A 4hvcA-1vi7A:
undetectable		 4hvcA-1vi7A:
16.48
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.
1x2w COAGULATION FACTOR
IX/X-BINDING PROTEIN
A CHAIN
COAGULATION FACTOR
IX/FACTOR X-BINDING
PROTEIN B CHAIN

(Protobothrops
flavoviridis;
Protobothrops
flavoviridis) 		PF00059
(Lectin_C)
PF00059
(Lectin_C) 		5 GLU A  82
VAL A  89
GLU B 120
THR B  31
GLY B  37
 None
 1.15A 4hvcA-1x2wA:
undetectable		 4hvcA-1x2wA:
14.15
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.
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)
 1.46A 4hvcA-2f2aA:
undetectable		 4hvcA-2f2aA:
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.
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
 1.35A 4hvcA-2hxgA:
6.4		 4hvcA-2hxgA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.16A 4hvcA-2iu4A:
undetectable		 4hvcA-2iu4A:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jjd RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE EPSILON

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 HIS A 591
GLU A 530
VAL A 528
THR A 639
GLY A 638
 None
 1.02A 4hvcA-2jjdA:
undetectable		 4hvcA-2jjdA:
21.09
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.
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 4hvcA-2o7qA:
5.8		 4hvcA-2o7qA:
22.34
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.
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 4hvcA-2pplA:
undetectable		 4hvcA-2pplA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.30A 4hvcA-2pvsA:
undetectable		 4hvcA-2pvsA:
23.00
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.
2qul D-TAGATOSE
3-EPIMERASE

(Pseudomonas
cichorii) 		PF01261
(AP_endonuc_2) 		5 HIS A 188
VAL A 259
GLU A  35
HIS A 209
GLY A   5
 None
 1.40A 4hvcA-2qulA:
undetectable		 4hvcA-2qulA:
20.54
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.
2zu0 PROTEIN SUFD

(Escherichia
coli) 		PF01458
(UPF0051) 		5 HIS A 255
HIS A 173
PHE A 189
THR A 158
GLY A  91
 None
 1.42A 4hvcA-2zu0A:
undetectable		 4hvcA-2zu0A:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.20A 4hvcA-3bqyA:
undetectable		 4hvcA-3bqyA:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.46A 4hvcA-3dfyA:
undetectable		 4hvcA-3dfyA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fn9 PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 HIS A 455
GLU A 477
HIS A 417
THR A 502
SER A 449
 None
 1.34A 4hvcA-3fn9A:
undetectable		 4hvcA-3fn9A:
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.
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
 1.30A 4hvcA-3g9kL:
undetectable		 4hvcA-3g9kL:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.14A 4hvcA-3i04A:
undetectable		 4hvcA-3i04A:
22.60
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)
 0.41A 4hvcA-3ialA:
43.1		 4hvcA-3ialA:
32.91
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.
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
 1.41A 4hvcA-3kx6A:
undetectable		 4hvcA-3kx6A:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3org CMCLC

(Cyanidioschyzon
merolae) 		PF00654
(Voltage_CLC) 		5 VAL A 519
PRO A 168
GLU A 210
SER A 433
GLY A 208
 None
None
None
None
CL  A 802 (-3.6A)
 1.42A 4hvcA-3orgA:
undetectable		 4hvcA-3orgA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.16A 4hvcA-3rkoL:
undetectable		 4hvcA-3rkoL:
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.
4alq CHITIN BINDING
PROTEIN

(Enterococcus
faecalis) 		PF03067
(LPMO_10) 		5 HIS A 170
PRO A 130
PHE A 139
THR A  72
GLY A  73
 None
 1.40A 4hvcA-4alqA:
undetectable		 4hvcA-4alqA:
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.
4b0i 3-HYDROXYDECANOYL-[A
CYL-CARRIER-PROTEIN]
DEHYDRATASE

(Pseudomonas
aeruginosa) 		PF07977
(FabA) 		5 HIS A   5
GLU A  53
VAL A  45
PHE A   7
GLY A  91
 None
None
None
None
KBP  A1170 (-3.3A)
 1.24A 4hvcA-4b0iA:
undetectable		 4hvcA-4b0iA:
14.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.39A 4hvcA-4binA:
5.3		 4hvcA-4binA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.42A 4hvcA-4d2jA:
undetectable		 4hvcA-4d2jA:
22.93
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.
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
 1.28A 4hvcA-4d48A:
undetectable		 4hvcA-4d48A:
21.80
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.
4l9a PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1393C

(Streptococcus
mutans) 		no annotation 5 PHE A 225
HIS A 100
PHE A 136
THR A 128
SER A 101
 None
 1.43A 4hvcA-4l9aA:
undetectable		 4hvcA-4l9aA:
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.
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
 1.11A 4hvcA-4mk3A:
undetectable		 4hvcA-4mk3A:
19.50
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.
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)
 1.21A 4hvcA-4op4A:
2.3		 4hvcA-4op4A:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.20A 4hvcA-4wd9A:
undetectable		 4hvcA-4wd9A:
18.66
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.
4yb9 SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 5

(Bos taurus) 		PF00083
(Sugar_tr) 		5 VAL D 336
PRO D 393
THR D 452
SER D 291
GLY D 287
 None
 1.46A 4hvcA-4yb9D:
undetectable		 4hvcA-4yb9D:
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.
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
 1.36A 4hvcA-4ybqA:
undetectable		 4hvcA-4ybqA:
22.69
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 GLU A 392
GLU A 409
HIS A 411
THR A 478
SER A 508
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)
HFG  A 802 (-3.7A)
 0.91A 4hvcA-4ydqA:
50.6		 4hvcA-4ydqA:
51.67
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
GLU A 409
HIS A 411
PHE A 454
THR A 478
SER A 508
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)
HFG  A 802 (-3.7A)
 0.36A 4hvcA-4ydqA:
50.6		 4hvcA-4ydqA:
51.67
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) 		9 PHE A 335
GLU A 338
VAL A 339
PRO A 358
TRP A 407
PHE A 454
THR A 478
SER A 508
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)
HFG  A 802 (-3.7A)
 0.71A 4hvcA-4ydqA:
50.6		 4hvcA-4ydqA:
51.67
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.
4zxc HYDROQUINONE
DIOXYGENASE SMALL
SUBUNIT
HYDROQUINONE
DIOXYGENASE LARGE
SUBUNIT

(Pseudomonas sp.
WBC-3;
Pseudomonas sp.
WBC-3) 		no annotation
no annotation 		5 HIS A  30
PRO W 298
TRP W 263
PHE W 339
GLY A  52
 None
 1.33A 4hvcA-4zxcA:
undetectable		 4hvcA-4zxcA:
16.43
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.
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
 1.04A 4hvcA-5gkqA:
undetectable		 4hvcA-5gkqA:
19.86
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.
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
 1.48A 4hvcA-5omsA:
undetectable		 4hvcA-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)
 1.43A 4hvcA-5t79A:
undetectable		 4hvcA-5t79A:
20.34
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) 		9 GLU A1100
VAL A1101
TRP A1169
GLU A1171
HIS A1173
PHE A1216
THR A1240
SER A1272
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)
PRO  A1602 (-3.7A)
 0.87A 4hvcA-5vadA:
54.1		 4hvcA-5vadA:
98.46
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 GLU A1154
PHE A1216
THR A1240
SER A1272
GLY A1274
 91Y  A1601 (-4.6A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
 0.84A 4hvcA-5vadA:
54.1		 4hvcA-5vadA:
98.46
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) 		9 VAL A1101
PRO A1120
TRP A1169
GLU A1171
HIS A1173
PHE A1216
THR A1240
SER A1272
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)
PRO  A1602 (-3.7A)
 0.64A 4hvcA-5vadA:
54.1		 4hvcA-5vadA:
98.46
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.
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
 1.14A 4hvcA-5vldA:
2.3		 4hvcA-5vldA:
23.10
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.
5xav INTRACELLULAR
POLYHYDROXYALKANOATE
SYNTHASE

(Chromobacterium
sp. USM2) 		PF07167
(PhaC_N) 		5 PHE A 270
GLU A 266
TRP A 249
PHE A 312
GLY A 293
 None
 1.34A 4hvcA-5xavA:
2.2		 4hvcA-5xavA:
23.48
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.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 6 GLU A 472
GLU A 489
HIS A 491
THR A 558
SER A 588
GLY A 590
 ANP  A1001 (-3.4A)
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.9A)
86X  A1004 (-3.6A)
86X  A1004 ( 4.2A)
 0.96A 4hvcA-5xiiA:
51.5		 4hvcA-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 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
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)
86X  A1004 ( 4.2A)
 0.33A 4hvcA-5xiiA:
51.5		 4hvcA-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 7 TRP A 407
GLU A 409
HIS A 411
PHE A 454
THR A 478
SER A 510
GLY A 512
 None
 0.39A 4hvcA-5xilA:
46.7		 4hvcA-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 7 GLU A 364
TRP A 379
GLU A 381
HIS A 383
THR A 450
SER A 480
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)
HFG  A 801 (-3.9A)
 1.10A 4hvcA-5xioA:
50.6		 4hvcA-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 7 PHE A 307
GLU A 310
VAL A 311
PRO A 330
GLU A 381
PHE A 426
GLY A 482
 HFG  A 801 (-3.7A)
None
HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
HFG  A 801 ( 4.9A)
HFG  A 801 (-3.7A)
HFG  A 801 (-3.9A)
 0.69A 4hvcA-5xioA:
50.6		 4hvcA-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 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
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)
HFG  A 801 (-3.9A)
 0.42A 4hvcA-5xioA:
50.6		 4hvcA-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
TRP A 407
GLU A 409
HIS A 411
THR A 478
SER A 508
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)
HFG  A1003 ( 3.9A)
 0.98A 4hvcA-5xipA:
50.3		 4hvcA-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
PHE A 454
THR A 478
SER A 508
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)
HFG  A1003 (-3.4A)
ANP  A1001 ( 3.7A)
HFG  A1003 ( 3.9A)
HFG  A1003 ( 3.9A)
 0.63A 4hvcA-5xipA:
50.3		 4hvcA-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.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 5 VAL A 566
PRO A 625
GLU A 166
THR A 163
GLY A 165
 None
 1.22A 4hvcA-5z9sA:
undetectable		 4hvcA-5z9sA:
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
 1.13A 4hvcA-6grwA:
undetectable		 4hvcA-6grwA:
undetectable