SIMILAR PATTERNS OF AMINO ACIDS FOR 5F9Z_A_HFGA702

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
 1.31A 5f9zA-1atiA:
25.1		 5f9zA-1atiA:
22.04
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.
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
 1.28A 5f9zA-1azwA:
undetectable		 5f9zA-1azwA:
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.
1eje FMN-BINDING PROTEIN

(Methanothermobacter
thermautotrophicus) 		PF01613
(Flavin_Reduct) 		5 LEU A 166
GLY A 159
VAL A 171
PRO A 128
ARG A 157
 None
 1.32A 5f9zA-1ejeA:
undetectable		 5f9zA-1ejeA:
17.21
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.
1ezv UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
CORE PROTEIN I
UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
CORE PROTEIN 2

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF00675
(Peptidase_M16) 		5 LEU B  98
GLY B 189
VAL B 193
GLU A 378
GLY A 380
 None
 1.28A 5f9zA-1ezvB:
undetectable		 5f9zA-1ezvB:
21.94
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 LEU A  77
PRO A 110
ARG A 142
TRP A 158
GLU A 160
PHE A 205
SER A 258
GLY A 260
 None
 0.73A 5f9zA-1hc7A:
45.4		 5f9zA-1hc7A:
40.70
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
 1.11A 5f9zA-1hc7A:
45.4		 5f9zA-1hc7A:
40.70
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.
1iah TRANSIENT RECEPTOR
POTENTIAL-RELATED
PROTEIN

(Mus musculus) 		PF02816
(Alpha_kinase) 		5 GLY A1792
VAL A1778
PRO A1776
PHE A1648
GLY A1619
 None
None
None
None
ADP  A2002 (-3.1A)
 0.96A 5f9zA-1iahA:
undetectable		 5f9zA-1iahA:
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.
1kg0 GP42 PROTEIN

(Human
gammaherpesvirus
4) 		no annotation 5 LEU C 149
GLY C 143
VAL C 195
PRO C 202
GLY C 172
 None
 1.25A 5f9zA-1kg0C:
undetectable		 5f9zA-1kg0C:
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.
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
 1.31A 5f9zA-1lgyA:
undetectable		 5f9zA-1lgyA:
20.73
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.
1lgy TRIACYLGLYCEROL
LIPASE

(Rhizopus niveus) 		PF01764
(Lipase_3) 		5 LEU A 152
GLY A 220
GLU A 190
VAL A 189
SER A 245
 None
 1.34A 5f9zA-1lgyA:
undetectable		 5f9zA-1lgyA:
20.73
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
PRO A 116
ARG A 148
GLU A 168
GLY A 267
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-2.9A)
None
5CA  A 512 (-3.9A)
 0.85A 5f9zA-1nj1A:
42.5		 5f9zA-1nj1A:
35.70
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
GLY A  92
GLU A  96
VAL A  97
ARG A 148
PHE A 212
GLY A 267
 None
None
None
None
5CA  A 512 (-2.9A)
5CA  A 512 (-4.0A)
5CA  A 512 (-3.9A)
 1.21A 5f9zA-1nj1A:
42.5		 5f9zA-1nj1A:
35.70
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
GLY A  92
GLU A  96
VAL A  97
PRO A 116
ARG A 148
GLU A 168
GLY A 267
 None
None
None
None
None
5CA  A 512 (-2.9A)
None
5CA  A 512 (-3.9A)
 0.84A 5f9zA-1nj1A:
42.5		 5f9zA-1nj1A:
35.70
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
 1.12A 5f9zA-1nj8A:
41.1		 5f9zA-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) 		5 LEU A  67
VAL A  81
PRO A 100
GLU A 152
GLY A 251
 None
 0.38A 5f9zA-1nj8A:
41.1		 5f9zA-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.
1yiq QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 GLY A 540
GLU A  63
VAL A  62
PRO A  78
GLY A 106
 None
PQQ  A 801 (-2.5A)
None
None
HEM  A 901 (-3.3A)
 1.02A 5f9zA-1yiqA:
undetectable		 5f9zA-1yiqA:
20.50
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.
2b2x ANTIBODY AQC2 FAB
ANTIBODY AQC2 FAB

(Mus musculus;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 LEU L   4
GLY L  92
VAL L  29
SER H  35
GLY H  98
 None
 1.19A 5f9zA-2b2xL:
undetectable		 5f9zA-2b2xL:
17.21
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.
2c47 CASEIN KINASE 1
GAMMA 2 ISOFORM

(Homo sapiens) 		PF00069
(Pkinase) 		5 GLY A 239
GLU A 236
VAL A 294
ARG A 295
GLU A 277
 None
 1.32A 5f9zA-2c47A:
undetectable		 5f9zA-2c47A:
21.29
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.
2chr CHLOROMUCONATE
CYCLOISOMERASE

(Cupriavidus
necator) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 309
GLY A 295
GLU A 323
GLU A  46
GLY A  48
 None
 1.28A 5f9zA-2chrA:
undetectable		 5f9zA-2chrA:
20.40
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.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 GLU A  92
PRO A 108
ARG A 140
SER A 315
GLY A 317
 None
None
5CA  A 439 (-2.8A)
5CA  A 439 (-3.6A)
5CA  A 439 (-3.5A)
 0.40A 5f9zA-2i4nA:
28.0		 5f9zA-2i4nA:
23.74
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.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 LEU A 105
GLU A  92
PRO A 108
ARG A 140
GLY A 317
 None
None
None
5CA  A 439 (-2.8A)
5CA  A 439 (-3.5A)
 1.12A 5f9zA-2i4nA:
28.0		 5f9zA-2i4nA:
23.74
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.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 LEU A 105
GLU A  92
PRO A 108
GLU A 111
GLY A 203
 None
None
None
5CA  A 439 (-2.6A)
None
 1.31A 5f9zA-2i4nA:
28.0		 5f9zA-2i4nA:
23.74
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.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 LEU A 105
GLY A  90
GLU A  92
GLU A 111
GLY A 203
 None
None
None
5CA  A 439 (-2.6A)
None
 1.34A 5f9zA-2i4nA:
28.0		 5f9zA-2i4nA:
23.74
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.
2jbm NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Homo sapiens) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 LEU A  20
GLY A 145
VAL A 149
ARG A 147
GLY A 167
 None
 1.35A 5f9zA-2jbmA:
undetectable		 5f9zA-2jbmA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5f9zA-2qmiA:
undetectable		 5f9zA-2qmiA:
21.56
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.
2qul D-TAGATOSE
3-EPIMERASE

(Pseudomonas
cichorii) 		PF01261
(AP_endonuc_2) 		5 GLY A 253
VAL A 261
TRP A 113
SER A  37
GLY A  68
 None
 1.27A 5f9zA-2qulA:
undetectable		 5f9zA-2qulA:
18.92
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.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		5 LEU A 101
GLY A  96
VAL A  13
PHE A 121
GLY A 110
 None
 0.99A 5f9zA-2ri6A:
2.4		 5f9zA-2ri6A:
20.08
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.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		5 LEU A 101
GLY A  96
VAL A  13
PHE A 121
GLY A 114
 None
 1.04A 5f9zA-2ri6A:
2.4		 5f9zA-2ri6A:
20.08
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.
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL

(Homo sapiens) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 267
GLY A 470
GLU A 339
VAL A 337
PHE A 291
 IBP  A1570 (-3.7A)
None
None
IBP  A1570 (-4.6A)
None
 1.27A 5f9zA-2wd9A:
undetectable		 5f9zA-2wd9A:
23.52
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.
2yl2 ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A 448
GLY A 278
VAL A 460
TRP A 297
GLY A 326
 None
 1.32A 5f9zA-2yl2A:
undetectable		 5f9zA-2yl2A:
22.58
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.
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
 1.12A 5f9zA-2ywdA:
undetectable		 5f9zA-2ywdA:
17.38
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.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN
ETHANOLAMINE
AMMONIA-LYASE LIGHT
CHAIN

(Escherichia
coli;
Escherichia
coli) 		PF06751
(EutB)
PF05985
(EutC) 		5 LEU B  70
VAL B  78
PRO A 449
PHE A 216
GLY A 435
 None
 1.31A 5f9zA-3anyB:
4.8		 5f9zA-3anyB:
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.
3ggn UNCHARACTERIZED
PROTEIN DR_A0006

(Deinococcus
radiodurans) 		PF03364
(Polyketide_cyc) 		5 LEU A 132
GLY A  88
GLU A  89
VAL A 105
ARG A 106
 None
 1.34A 5f9zA-3ggnA:
undetectable		 5f9zA-3ggnA:
14.65
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.
3hdi PROCESSING PROTEASE

(Bacillus
halodurans) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 LEU A 196
VAL A 188
PHE A  67
SER A  70
GLY A  72
 None
 1.25A 5f9zA-3hdiA:
undetectable		 5f9zA-3hdiA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.08A 5f9zA-3i04A:
3.6		 5f9zA-3i04A:
21.48
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 GLY A 121
GLU A 125
ARG A 177
SER A 247
GLY A 264
 None
None
PR8  A 601 ( 4.3A)
GOL  A 602 ( 4.3A)
PR8  A 601 (-3.5A)
 1.30A 5f9zA-3ialA:
42.2		 5f9zA-3ialA:
34.13
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
GLY A 121
GLU A 125
ARG A 177
PHE A 241
 None
None
None
PR8  A 601 ( 4.3A)
PR8  A 601 ( 4.1A)
 1.20A 5f9zA-3ialA:
42.2		 5f9zA-3ialA:
34.13
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 LEU A 112
GLY A 121
GLU A 125
PRO A 145
ARG A 177
GLY A 264
 None
None
None
None
PR8  A 601 ( 4.3A)
PR8  A 601 (-3.5A)
 1.19A 5f9zA-3ialA:
42.2		 5f9zA-3ialA:
34.13
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) 		8 LEU A 112
GLY A 121
GLU A 125
PRO A 145
ARG A 177
TRP A 194
GLU A 196
GLY A 296
 None
None
None
None
PR8  A 601 ( 4.3A)
None
PR8  A 601 (-4.5A)
PR8  A 601 (-3.4A)
 0.71A 5f9zA-3ialA:
42.2		 5f9zA-3ialA:
34.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.25A 5f9zA-3ib3A:
undetectable		 5f9zA-3ib3A:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ihw CENTG3

(Homo sapiens) 		PF00071
(Ras) 		5 LEU A 182
GLY A  95
VAL A 191
SER A 102
GLY A 197
 None
 1.07A 5f9zA-3ihwA:
2.6		 5f9zA-3ihwA:
17.54
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.
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
 1.29A 5f9zA-3j15A:
undetectable		 5f9zA-3j15A:
23.68
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.
3lqn CBS DOMAIN PROTEIN

(Bacillus
anthracis) 		PF00571
(CBS) 		5 LEU A  51
GLY A 127
PHE A 115
SER A  46
GLY A  44
 FMT  A 169 ( 4.9A)
None
None
None
FMT  A 167 (-3.6A)
 1.33A 5f9zA-3lqnA:
undetectable		 5f9zA-3lqnA:
14.31
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.
3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 LEU A 915
GLY A 927
PRO A1015
PHE A 475
GLY A 394
 None
 1.15A 5f9zA-3ne5A:
undetectable		 5f9zA-3ne5A:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 LEU A 915
GLY A 927
PRO A1015
PHE A 475
GLY A 395
 None
 1.17A 5f9zA-3ne5A:
undetectable		 5f9zA-3ne5A:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ni8 PFC0360W PROTEIN

(Plasmodium
falciparum) 		PF08327
(AHSA1) 		5 LEU A 145
GLY A 139
GLU A  85
SER A  98
GLY A  72
 None
None
IPA  A 159 (-3.0A)
None
None
 1.35A 5f9zA-3ni8A:
undetectable		 5f9zA-3ni8A:
15.90
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 LEU A 743
GLY A 858
GLU A 827
VAL A 766
GLY A 602
 None
None
FDP  A   1 (-2.8A)
None
None
 1.31A 5f9zA-3o8oA:
2.4		 5f9zA-3o8oA:
20.92
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.
3pra FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Methanocaldococcus
jannaschii) 		PF00254
(FKBP_C) 		5 LEU A  57
GLY A  14
GLU A  71
VAL A  72
GLU A 146
 None
 1.05A 5f9zA-3praA:
undetectable		 5f9zA-3praA:
14.62
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.
3qt4 CATHEPSIN-L-LIKE
MIDGUT CYSTEINE
PROTEINASE

(Tenebrio
molitor) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		5 LEU A 219
GLY A 302
TRP A 166
SER A 122
GLY A 165
 None
None
None
PO4  A 401 ( 2.8A)
None
 1.28A 5f9zA-3qt4A:
undetectable		 5f9zA-3qt4A:
21.14
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.
3v75 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Streptomyces
avermitilis) 		PF00215
(OMPdecase) 		5 LEU A 180
GLY A 197
VAL A 200
SER A 135
GLY A 100
 None
 1.28A 5f9zA-3v75A:
undetectable		 5f9zA-3v75A:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 LEU A 389
GLY A 392
GLU A 508
PHE A 409
GLY A 472
 None
None
NA  A 801 (-3.8A)
None
None
 1.29A 5f9zA-3wfaA:
undetectable		 5f9zA-3wfaA:
20.62
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.
3wrv TM-1 PROTEIN

(Solanum
lycopersicum) 		PF06792
(UPF0261) 		5 LEU A 103
GLY A 121
VAL A  53
PHE A 191
GLY A  47
 None
 1.03A 5f9zA-3wrvA:
4.2		 5f9zA-3wrvA:
18.60
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.
3wry TM-1 PROTEIN

(Solanum
lycopersicum) 		PF06792
(UPF0261) 		5 LEU A 103
GLY A 121
VAL A  53
PHE A 191
GLY A  47
 None
 1.09A 5f9zA-3wryA:
3.4		 5f9zA-3wryA:
23.09
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.
4b46 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		5 LEU A  74
GLY A  69
VAL A  63
SER A 105
GLY A  13
 None
 1.34A 5f9zA-4b46A:
undetectable		 5f9zA-4b46A:
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.
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
 1.27A 5f9zA-4beqA:
undetectable		 5f9zA-4beqA:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 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 LEU A 158
VAL A 248
PRO A 245
ARG A 249
GLY A 202
 None
 1.32A 5f9zA-4binA:
4.1		 5f9zA-4binA:
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.
4crn ERF3 IN RIBOSOME
BOUND
ERF1-ERF3-GDPNP
COMPLEX
ERF1 IN
RIBOSOME-BOUND
ERF1-ERF3-GDPNP
COMPLEX

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		5 LEU P 391
GLY P 356
GLU P 353
VAL P 351
GLU X 258
 None
 1.31A 5f9zA-4crnP:
undetectable		 5f9zA-4crnP:
23.70
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.
4e6e CELL DIVISION
PROTEIN FTSZ

(Thermobifida
fusca) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 LEU A 267
GLY A 300
GLU A 302
VAL A 303
GLY A  31
 None
 1.10A 5f9zA-4e6eA:
undetectable		 5f9zA-4e6eA:
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.
4h2k SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Haemophilus
influenzae) 		PF01546
(Peptidase_M20) 		5 LEU A  93
GLY A 103
VAL A   6
SER A  17
GLY A  24
 None
 0.94A 5f9zA-4h2kA:
undetectable		 5f9zA-4h2kA:
20.51
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.
4m8r HYPOTHETICAL PROTEIN

(Bacteroides
caccae) 		PF16023
(DUF4784) 		5 LEU A 378
GLY A 319
GLU A 318
PRO A 305
GLY A 301
 None
 1.05A 5f9zA-4m8rA:
undetectable		 5f9zA-4m8rA:
20.07
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.
4n0l PREDICTED COMPONENT
OF A
THERMOPHILE-SPECIFIC
DNA REPAIR SYSTEM,
CONTAINS A RAMP
DOMAIN

(Methanopyrus
kandleri) 		PF03787
(RAMPs) 		5 LEU A  54
GLY A 225
GLU A 227
ARG A 175
SER A  44
 None
 1.18A 5f9zA-4n0lA:
undetectable		 5f9zA-4n0lA:
20.23
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.
4pe3 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Rhodobacter
sphaeroides) 		PF03480
(DctP) 		5 LEU A 260
GLY A 166
GLU A 145
VAL A 144
PHE A 288
 None
 1.23A 5f9zA-4pe3A:
undetectable		 5f9zA-4pe3A:
22.31
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.
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)
 0.93A 5f9zA-4qeiA:
23.3		 5f9zA-4qeiA:
22.49
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.
4qiw DNA-DIRECTED RNA
POLYMERASE
DNA-DIRECTED RNA
POLYMERASE SUBUNIT D

(Thermococcus
kodakarensis;
Thermococcus
kodakarensis) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L) 		5 GLY D 149
GLU D 229
GLU B 748
SER B 746
GLY B 750
 None
 1.15A 5f9zA-4qiwD:
undetectable		 5f9zA-4qiwD:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wtx INTEGRIN BETA-4

(Homo sapiens) 		PF00041
(fn3) 		5 LEU A1589
GLY A1660
GLU A1659
VAL A1646
GLY A1614
 None
 1.28A 5f9zA-4wtxA:
undetectable		 5f9zA-4wtxA:
13.35
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.
4wtx INTEGRIN BETA-4

(Homo sapiens) 		PF00041
(fn3) 		5 LEU A1589
GLY A1660
GLU A1659
VAL A1646
GLY A1615
 None
 1.06A 5f9zA-4wtxA:
undetectable		 5f9zA-4wtxA:
13.35
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.
4wv3 ANTHRANILATE-COA
LIGASE

(Stigmatella
aurantiaca) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLY A 226
TRP A  73
PHE A 323
SER A 171
GLY A  89
 None
 1.13A 5f9zA-4wv3A:
undetectable		 5f9zA-4wv3A:
23.03
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 GLU A 392
ARG A 390
GLU A 409
SER A 508
GLY A 510
 ANP  A 801 (-3.6A)
ANP  A 801 ( 2.5A)
HFG  A 802 ( 4.9A)
HFG  A 802 ( 3.8A)
HFG  A 802 (-3.7A)
 1.31A 5f9zA-4ydqA:
49.8		 5f9zA-4ydqA:
57.23
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 LEU A 325
GLU A 338
VAL A 339
PRO A 358
ARG A 390
GLU A 409
PHE A 454
SER A 508
GLY A 510
 None
MG  A 803 ( 4.1A)
HFG  A 802 (-4.1A)
HFG  A 802 (-4.2A)
ANP  A 801 ( 2.5A)
HFG  A 802 ( 4.9A)
HFG  A 802 (-3.6A)
HFG  A 802 ( 3.8A)
HFG  A 802 (-3.7A)
 0.31A 5f9zA-4ydqA:
49.8		 5f9zA-4ydqA:
57.23
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 LEU A 325
GLU A 338
VAL A 339
PRO A 358
ARG A 390
TRP A 407
PHE A 454
SER A 508
GLY A 510
 None
MG  A 803 ( 4.1A)
HFG  A 802 (-4.1A)
HFG  A 802 (-4.2A)
ANP  A 801 ( 2.5A)
None
HFG  A 802 (-3.6A)
HFG  A 802 ( 3.8A)
HFG  A 802 (-3.7A)
 0.64A 5f9zA-4ydqA:
49.8		 5f9zA-4ydqA:
57.23
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 LEU A1243
GLY A1193
VAL A1241
SER A1080
GLY A 913
 None
 1.31A 5f9zA-4yswA:
undetectable		 5f9zA-4yswA:
17.53
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.
4ztx COBALAMIN-INDEPENDEN
T METHIONINE
SYNTHASE

(Neurospora
crassa) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 LEU A 169
GLY A 162
VAL A 212
PRO A 211
GLY A   8
 None
 1.35A 5f9zA-4ztxA:
undetectable		 5f9zA-4ztxA:
22.04
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.
5a1k ADSEVERIN

(Homo sapiens) 		PF00626
(Gelsolin) 		5 LEU A 220
GLY A 214
GLU A 212
VAL A 211
GLY A 233
 None
 1.20A 5f9zA-5a1kA:
undetectable		 5f9zA-5a1kA:
21.02
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.
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
 1.21A 5f9zA-5cioA:
undetectable		 5f9zA-5cioA:
18.46
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.
5czw MYROILYSIN

(Myroides
profundi) 		PF01400
(Astacin) 		5 LEU A   7
PRO A  92
PHE A 144
SER A 106
GLY A 109
 None
 1.12A 5f9zA-5czwA:
undetectable		 5f9zA-5czwA:
17.09
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.
5eso 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Mycobacterium
tuberculosis) 		PF02776
(TPP_enzyme_N) 		5 GLY A 403
GLU A  92
VAL A  91
PRO A  88
GLY A 449
 None
 1.32A 5f9zA-5esoA:
undetectable		 5f9zA-5esoA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5f9zA-5g0qA:
undetectable		 5f9zA-5g0qA:
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.
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
 1.06A 5f9zA-5gkqA:
undetectable		 5f9zA-5gkqA:
20.60
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.
5h11 UNCHARACTERIZED
PROTEIN

(Danio rerio) 		PF07393
(Sec10) 		5 LEU A 606
GLY A 584
GLU A 588
VAL A 590
ARG A 589
 None
 1.27A 5f9zA-5h11A:
undetectable		 5f9zA-5h11A:
20.47
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.
5i2g DIOL DEHYDRATASE

(Roseburia
inulinivorans) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 LEU A 829
GLY A 337
VAL A 700
PHE A 344
SER A 380
 None
None
None
PGO  A 901 (-3.4A)
None
 1.04A 5f9zA-5i2gA:
undetectable		 5f9zA-5i2gA:
19.55
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.
5jcf MELANOMA
DIFFERENTIATION
ASSOCIATED PROTEIN-5

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		5 GLY A 795
GLU A 526
VAL A 524
PRO A 323
GLY A 484
 None
 1.16A 5f9zA-5jcfA:
undetectable		 5f9zA-5jcfA:
21.46
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.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN

(Segniliparus
rugosus) 		PF00501
(AMP-binding)
PF00550
(PP-binding) 		5 GLY A 430
VAL A 439
PRO A 438
PHE A 356
GLY A 324
 AMP  A1201 (-4.4A)
None
None
None
None
 1.32A 5f9zA-5mswA:
undetectable		 5f9zA-5mswA:
17.12
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.
5t1d GLYCOPROTEIN 42

(Human
gammaherpesvirus
4) 		no annotation 5 LEU C 149
GLY C 143
VAL C 195
PRO C 202
GLY C 172
 None
 1.13A 5f9zA-5t1dC:
undetectable		 5f9zA-5t1dC:
13.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t7d PHOSPHINOTHRICIN
N-ACETYLTRANSFERASE

(Streptomyces
hygroscopicus) 		PF13420
(Acetyltransf_4) 		5 LEU A 114
GLY A  75
GLU A  88
VAL A 122
GLY A  70
 None
 1.29A 5f9zA-5t7dA:
undetectable		 5f9zA-5t7dA:
15.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 LEU A 109
GLY A 133
VAL A 136
SER A   6
GLY A  67
 None
SAH  A 414 (-2.8A)
None
None
None
 1.25A 5f9zA-5u4tA:
undetectable		 5f9zA-5u4tA:
19.83
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 LEU A1087
GLU A1100
VAL A1101
ARG A1152
TRP A1169
GLU A1171
PHE A1216
SER A1272
GLY A1274
 None
None
None
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 (-4.3A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
 0.93A 5f9zA-5vadA:
47.9		 5f9zA-5vadA:
54.32
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 LEU A1087
VAL A1101
PRO A1120
ARG A1152
TRP A1169
GLU A1171
PHE A1216
SER A1272
GLY A1274
 None
None
None
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 (-4.3A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
 0.72A 5f9zA-5vadA:
47.9		 5f9zA-5vadA:
54.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w1e PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		no annotation 5 GLY A 119
VAL A 114
PRO A 360
ARG A 121
GLY A  26
 None
None
None
GOL  A 603 (-3.3A)
None
 1.35A 5f9zA-5w1eA:
undetectable		 5f9zA-5w1eA:
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 6 GLU A 472
ARG A 470
TRP A 487
GLU A 489
SER A 588
GLY A 590
 ANP  A1001 (-3.4A)
ANP  A1001 ( 2.9A)
None
None
86X  A1004 (-3.6A)
86X  A1004 ( 4.2A)
 1.29A 5f9zA-5xiiA:
51.8		 5f9zA-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
GLU A 418
VAL A 419
PRO A 438
ARG A 470
TRP A 487
GLU A 489
PHE A 534
SER A 588
GLY A 590
 None
MG  A1003 (-4.1A)
86X  A1004 (-4.2A)
86X  A1004 (-4.3A)
ANP  A1001 ( 2.9A)
None
None
86X  A1004 (-3.6A)
86X  A1004 (-3.6A)
86X  A1004 ( 4.2A)
 0.26A 5f9zA-5xiiA:
51.8		 5f9zA-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 5 TRP A 407
GLU A 409
PHE A 454
SER A 510
GLY A 512
 None
 0.43A 5f9zA-5xilA:
45.4		 5f9zA-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
TRP A 379
GLU A 381
SER A 480
GLY A 482
 ANP  A 803 (-3.7A)
ANP  A 803 ( 3.1A)
None
HFG  A 801 ( 4.9A)
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.9A)
 1.31A 5f9zA-5xioA:
50.9		 5f9zA-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 8 LEU A 297
GLU A 310
VAL A 311
PRO A 330
ARG A 362
GLU A 381
PHE A 426
GLY A 482
 None
None
HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
ANP  A 803 ( 3.1A)
HFG  A 801 ( 4.9A)
HFG  A 801 (-3.7A)
HFG  A 801 (-3.9A)
 0.60A 5f9zA-5xioA:
50.9		 5f9zA-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 LEU A 297
VAL A 311
PRO A 330
ARG A 362
TRP A 379
GLU A 381
PHE A 426
SER A 480
GLY A 482
 None
HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
ANP  A 803 ( 3.1A)
None
HFG  A 801 ( 4.9A)
HFG  A 801 (-3.7A)
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.9A)
 0.27A 5f9zA-5xioA:
50.9		 5f9zA-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 6 GLU A 392
ARG A 390
TRP A 407
GLU A 409
SER A 508
GLY A 510
 ANP  A1001 (-3.8A)
ANP  A1001 (-2.8A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 3.9A)
HFG  A1003 ( 3.9A)
 1.20A 5f9zA-5xipA:
50.2		 5f9zA-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 10 LEU A 325
GLU A 338
VAL A 339
PRO A 358
ARG A 390
TRP A 407
GLU A 409
PHE A 454
SER A 508
GLY A 510
 None
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 (-3.4A)
HFG  A1003 ( 3.9A)
HFG  A1003 ( 3.9A)
 0.36A 5f9zA-5xipA:
50.2		 5f9zA-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.
5y10 MEMBRANE
GLYCOPROTEIN
POLYPROTEIN

(SFTS
phlebovirus) 		PF07243
(Phlebovirus_G1) 		5 LEU C  54
GLY C  75
VAL C  80
SER C 164
GLY C 161
 None
 1.15A 5f9zA-5y10C:
undetectable		 5f9zA-5y10C:
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.
5y4j XYLOSE ISOMERASE

(Streptomyces
rubiginosus) 		PF01261
(AP_endonuc_2) 		5 LEU A 241
GLY A 231
VAL A 214
PRO A 216
GLY A 248
 None
 1.30A 5f9zA-5y4jA:
undetectable		 5f9zA-5y4jA:
23.05
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.
6c5v GLYCOPROTEIN 42

(Human
gammaherpesvirus
4) 		no annotation 5 LEU C 149
GLY C 143
VAL C 195
PRO C 202
GLY C 172
 None
 0.96A 5f9zA-6c5vC:
undetectable		 5f9zA-6c5vC:
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.
9wga WHEAT GERM LECTIN

(Triticum
aestivum) 		PF00187
(Chitin_bind_1) 		5 LEU A 102
GLY A  81
GLU A  11
PHE A  69
GLY A  38
 None
 1.27A 5f9zA-9wgaA:
undetectable		 5f9zA-9wgaA:
12.35
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.
1i7q ANTHRANILATE
SYNTHASE

(Serratia
marcescens) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		4 THR A 425
GLU A 309
THR A 329
HIS A 398
 BEZ  A1501 (-4.7A)
BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 ( 4.2A)
 1.38A 5f9zA-1i7qA:
undetectable		 5f9zA-1i7qA:
19.22
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
THR A 235
HIS A 237
 5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-4.4A)
 0.52A 5f9zA-1nj1A:
42.5		 5f9zA-1nj1A:
35.70
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) 		4 THR A 101
GLU A 103
THR A 219
HIS A 221
 None
 0.79A 5f9zA-1nj8A:
41.1		 5f9zA-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.
1qdl PROTEIN
(ANTHRANILATE
SYNTHASE
(TRPE-SUBUNIT))

(Sulfolobus
solfataricus) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		4 THR A 333
GLU A 225
THR A 243
HIS A 306
 None
 1.39A 5f9zA-1qdlA:
undetectable		 5f9zA-1qdlA:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hih LIPASE 46 KDA FORM

(Staphylococcus
hyicus) 		no annotation 4 THR A 261
GLU A 328
THR A 172
HIS A 177
 None
 1.26A 5f9zA-2hihA:
0.0		 5f9zA-2hihA:
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.
2pfm ADENYLOSUCCINATE
LYASE

(Bacillus
anthracis) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		4 THR A 250
GLU A 252
THR A 350
HIS A 146
 None
 1.41A 5f9zA-2pfmA:
0.0		 5f9zA-2pfmA:
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.
3bpk NITRILOTRIACETATE
MONOOXYGENASE
COMPONENT B

(Bacillus cereus) 		PF01613
(Flavin_Reduct) 		4 THR A 114
GLU A 128
THR A  31
HIS A  84
 None
 1.06A 5f9zA-3bpkA:
undetectable		 5f9zA-3bpkA:
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.
3g7t ENVELOPE PROTEIN

(Dengue virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		4 THR A 353
GLU A  26
THR A 315
HIS A 317
 None
 1.32A 5f9zA-3g7tA:
0.2		 5f9zA-3g7tA:
21.07
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.
3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I

(Burkholderia
lata) 		PF00117
(GATase)
PF00425
(Chorismate_bind) 		4 THR A 304
GLU A 201
THR A 219
HIS A 279
 BEZ  A 701 (-4.7A)
BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.0A)
BEZ  A 701 (-3.8A)
 1.46A 5f9zA-3r75A:
1.5		 5f9zA-3r75A:
20.21
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.
3rao PUTATIVE
LUCIFERASE-LIKE
MONOOXYGENASE

(Bacillus cereus) 		PF00296
(Bac_luciferase) 		4 THR A  66
GLU A  63
THR A  94
HIS A  89
 None
 1.22A 5f9zA-3raoA:
undetectable		 5f9zA-3raoA:
23.88
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
THR A 478
HIS A 480
 HFG  A 802 (-3.2A)
HFG  A 802 (-2.9A)
HFG  A 802 ( 4.0A)
HFG  A 802 (-4.0A)
 0.41A 5f9zA-4ydqA:
49.8		 5f9zA-4ydqA:
57.23
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.
5cwa ANTHRANILATE
SYNTHASE COMPONENT 1

(Mycobacterium
tuberculosis) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		4 THR A 415
GLU A 307
THR A 325
HIS A 388
 None
0GA  A 604 ( 4.5A)
0GA  A 604 ( 4.6A)
0GA  A 604 ( 4.3A)
 1.43A 5f9zA-5cwaA:
undetectable		 5f9zA-5cwaA:
19.61
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.
5jy9 PUTATIVE SALICYLATE
SYNTHETASE

(Yersinia
enterocolitica) 		PF00425
(Chorismate_bind) 		4 THR A 348
GLU A 240
THR A 258
HIS A 321
 None
None
ACT  A 503 (-3.7A)
ACT  A 503 ( 4.1A)
 1.48A 5f9zA-5jy9A:
undetectable		 5f9zA-5jy9A:
21.70
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
THR A1240
HIS A1242
 PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
 0.52A 5f9zA-5vadA:
47.9		 5f9zA-5vadA:
54.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vvr DNA REPAIR AND
RECOMBINATION
PROTEIN RAD26

(Saccharomyces
cerevisiae) 		no annotation 4 THR M 506
GLU M 507
THR M 499
HIS M 472
 None
 1.31A 5f9zA-5vvrM:
undetectable		 5f9zA-5vvrM:
19.27
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.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 4 THR A 439
GLU A 441
THR A 558
HIS A 560
 86X  A1004 (-3.6A)
86X  A1004 (-3.0A)
86X  A1004 (-3.9A)
86X  A1004 (-3.7A)
 0.24A 5f9zA-5xiiA:
51.8		 5f9zA-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
THR A 450
HIS A 452
 HFG  A 801 (-3.4A)
HFG  A 801 (-3.0A)
ANP  A 803 (-3.9A)
HFG  A 801 (-4.2A)
 0.53A 5f9zA-5xioA:
50.9		 5f9zA-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
THR A 478
HIS A 480
 HFG  A1003 (-3.9A)
HFG  A1003 (-2.9A)
ANP  A1001 ( 3.7A)
HFG  A1003 (-3.5A)
 0.38A 5f9zA-5xipA:
50.2		 5f9zA-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.
6bk8 PRE-MRNA-SPLICING
FACTOR SYF1

(Saccharomyces
cerevisiae) 		no annotation 4 THR U 796
GLU U 788
THR U 758
HIS U 791
 None
 1.33A 5f9zA-6bk8U:
undetectable		 5f9zA-6bk8U:
undetectable