SIMILAR PATTERNS OF AMINO ACIDS FOR 4YDQ_B_HFGB802

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.
1fiz BETA-ACROSIN HEAVY
CHAIN


(Sus scrofa)
PF00089
(Trypsin)
5 PHE A 203
VAL A 209
PRO A 198
THR A 139
GLY A  19
None
1.17A 4ydqB-1fizA:
undetectable
4ydqB-1fizA:
19.24
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
SER A 258
GLY A 260
None
1.27A 4ydqB-1hc7A:
46.5
4ydqB-1hc7A:
42.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hc7 PROLYL-TRNA
SYNTHETASE


(Thermus
thermophilus)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
9 PRO A 110
THR A 111
ARG A 142
TRP A 158
GLU A 160
HIS A 162
PHE A 205
SER A 258
GLY A 260
None
0.92A 4ydqB-1hc7A:
46.5
4ydqB-1hc7A:
42.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iir GLYCOSYLTRANSFERASE
GTFB


(Amycolatopsis
orientalis)
PF03033
(Glyco_transf_28)
5 GLU A  70
THR A  77
HIS A 173
SER A 172
GLY A 168
None
1.00A 4ydqB-1iirA:
3.5
4ydqB-1iirA:
19.54
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.
1irx LYSYL-TRNA
SYNTHETASE


(Pyrococcus
horikoshii)
PF01921
(tRNA-synt_1f)
5 PHE A 229
GLU A  25
VAL A  24
GLU A 261
GLY A 259
None
1.46A 4ydqB-1irxA:
undetectable
4ydqB-1irxA:
22.01
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 GLU A  96
VAL A  97
PRO A 116
THR A 117
ARG A 148
GLU A 168
HIS A 170
GLY A 267
None
None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
None
5CA  A 512 (-3.9A)
0.43A 4ydqB-1nj1A:
44.2
4ydqB-1nj1A:
31.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE


(Methanothermobacter
thermautotrophicus)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
6 GLU A 150
PRO A 116
THR A 117
ARG A 148
GLU A 168
HIS A 170
5CA  A 512 (-4.1A)
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
None
0.98A 4ydqB-1nj1A:
44.2
4ydqB-1nj1A:
31.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE


(Methanothermobacter
thermautotrophicus)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
5 VAL A  97
GLU A 168
HIS A 170
PHE A 212
GLY A 267
None
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.9A)
0.84A 4ydqB-1nj1A:
44.2
4ydqB-1nj1A:
31.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE


(Methanothermobacter
thermautotrophicus)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
6 VAL A  97
PRO A 116
THR A 117
GLU A 168
HIS A 170
PHE A 243
None
None
5CA  A 512 (-3.5A)
None
None
None
1.26A 4ydqB-1nj1A:
44.2
4ydqB-1nj1A:
31.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj8 PROLINE-TRNA
SYNTHETASE


(Methanocaldococcus
jannaschii)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2)
5 GLU A  80
VAL A  81
PRO A 100
GLU A 152
GLY A 251
None
0.70A 4ydqB-1nj8A:
42.0
4ydqB-1nj8A:
35.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj8 PROLINE-TRNA
SYNTHETASE


(Methanocaldococcus
jannaschii)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2)
6 VAL A  81
PRO A 100
THR A 101
GLU A 152
HIS A 154
GLY A 251
None
0.46A 4ydqB-1nj8A:
42.0
4ydqB-1nj8A:
35.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj8 PROLINE-TRNA
SYNTHETASE


(Methanocaldococcus
jannaschii)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2)
6 VAL A  81
PRO A 100
THR A 101
GLU A 152
HIS A 154
PHE A 227
None
1.18A 4ydqB-1nj8A:
42.0
4ydqB-1nj8A:
35.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj8 PROLINE-TRNA
SYNTHETASE


(Methanocaldococcus
jannaschii)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2)
5 VAL A  81
PRO A 100
THR A 101
HIS A 154
PHE A 196
None
0.93A 4ydqB-1nj8A:
42.0
4ydqB-1nj8A:
35.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.39A 4ydqB-1twdA:
undetectable
4ydqB-1twdA:
17.62
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.
1wcz GLUTAMYL
ENDOPEPTIDASE


(Staphylococcus
aureus)
PF13365
(Trypsin_2)
5 PHE A  99
VAL A  41
THR A  48
HIS A  51
GLY A 167
None
1.32A 4ydqB-1wczA:
undetectable
4ydqB-1wczA:
19.68
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.
1x9s DNA POLYMERASE

(Escherichia
virus T7)
PF00476
(DNA_pol_A)
5 GLU A   7
VAL A  22
THR A 178
SER A  95
GLY A 129
None
1.50A 4ydqB-1x9sA:
undetectable
4ydqB-1x9sA:
22.10
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.
1zy9 ALPHA-GALACTOSIDASE

(Thermotoga
maritima)
PF02065
(Melibiase)
5 VAL A 216
PRO A 184
THR A 183
HIS A 418
GLY A 482
None
1.30A 4ydqB-1zy9A:
undetectable
4ydqB-1zy9A:
22.60
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.
2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE


(Deinococcus
radiodurans)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF11941
(DUF3459)
5 PHE A 450
PRO A 449
THR A 448
ARG A 410
GLU A 501
None
1.46A 4ydqB-2bxyA:
undetectable
4ydqB-2bxyA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE


(Desulfovibrio
africanus)
PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II)
5 PHE A 124
PRO A  32
THR A  31
ARG A 114
GLY A 839
None
None
PYR  A2239 (-3.6A)
PYR  A2239 (-3.0A)
TPP  A2236 (-3.3A)
1.17A 4ydqB-2c3oA:
2.1
4ydqB-2c3oA:
17.70
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.
2dq3 SERYL-TRNA
SYNTHETASE


(Aquifex
aeolicus)
PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N)
5 GLU A 264
ARG A 262
GLU A 233
SER A 354
GLY A 384
SSA  A1001 (-3.3A)
SSA  A1001 (-2.8A)
SSA  A1001 (-3.7A)
None
SSA  A1001 (-3.7A)
1.04A 4ydqB-2dq3A:
22.3
4ydqB-2dq3A:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dvl ACYL-COA
DEHYDROGENASE


(Thermus
thermophilus)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
5 GLU A 356
VAL A 237
THR A 306
ARG A 236
GLU A 369
None
1.24A 4ydqB-2dvlA:
undetectable
4ydqB-2dvlA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2erq VASCULAR
APOPTOSIS-INDUCING
PROTEIN 1


(Crotalus atrox)
PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR)
5 PHE A 410
GLU A 415
VAL A 413
GLU A 480
GLY A 446
None
CA  A 701 (-2.3A)
None
None
None
1.40A 4ydqB-2erqA:
2.5
4ydqB-2erqA:
20.24
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.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
6 GLU A  92
PRO A 108
THR A 109
ARG A 140
SER A 315
GLY A 317
None
None
5CA  A 439 (-3.6A)
5CA  A 439 (-2.8A)
5CA  A 439 (-3.6A)
5CA  A 439 (-3.5A)
0.42A 4ydqB-2i4nA:
17.1
4ydqB-2i4nA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
5 GLU A 142
THR A 109
ARG A 140
SER A 315
GLY A 317
5CA  A 439 (-3.2A)
5CA  A 439 (-3.6A)
5CA  A 439 (-2.8A)
5CA  A 439 (-3.6A)
5CA  A 439 (-3.5A)
1.42A 4ydqB-2i4nA:
17.1
4ydqB-2i4nA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2isb FUMARASE

(Archaeoglobus
fulgidus)
PF05683
(Fumerase_C)
5 PRO A  92
THR A  91
HIS A  63
PHE A  56
GLY A 102
None
1.39A 4ydqB-2isbA:
undetectable
4ydqB-2isbA:
16.13
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.
2ixb ALPHA-N-ACETYLGALACT
OSAMINIDASE


(Elizabethkingia
meningoseptica)
PF01408
(GFO_IDH_MocA)
5 PHE A  96
THR A  34
ARG A  31
HIS A 372
GLY A 374
None
None
NAD  A1445 (-3.4A)
None
None
1.42A 4ydqB-2ixbA:
undetectable
4ydqB-2ixbA:
22.91
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.
2mcm MACROMOMYCIN

(Streptomyces
macromomyceticus)
PF00960
(Neocarzinostat)
5 PRO A  27
THR A  26
GLU A 103
SER A 101
GLY A  98
None
None
None
None
MRD  A 113 ( 4.3A)
1.31A 4ydqB-2mcmA:
undetectable
4ydqB-2mcmA:
10.55
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.
2owo DNA LIGASE

(Escherichia
coli)
PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5)
5 GLU A 328
VAL A 327
PRO A 339
THR A 338
GLY A 335
None
1.45A 4ydqB-2owoA:
undetectable
4ydqB-2owoA:
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.
2pfe ALKALINE SERINE
PROTEASE


(Thermobifida
fusca)
PF00089
(Trypsin)
5 VAL A 136
THR A 213
ARG A 138
HIS A  57
GLY A 192
None
AES  A1002 (-3.7A)
None
AES  A1002 (-4.8A)
AES  A1002 ( 3.8A)
1.39A 4ydqB-2pfeA:
undetectable
4ydqB-2pfeA:
14.08
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.
3dra PROTEIN
FARNESYLTRANSFERASE/
GERANYLGERANYLTRANSF
ERASE TYPE-1 SUBUNIT
ALPHA
GERANYLGERANYLTRANSF
ERASE TYPE I BETA
SUBUNIT


(Candida
albicans;
Candida
albicans)
PF01239
(PPTA)
PF00432
(Prenyltrans)
5 PHE A 259
GLU A 262
ARG A 292
SER B 293
GLY B 283
None
1.35A 4ydqB-3draA:
undetectable
4ydqB-3draA:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3efv PUTATIVE
SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE


(Salmonella
enterica)
PF00171
(Aldedh)
5 PHE A 138
VAL A 143
THR A 211
ARG A 145
GLY A 433
None
None
NAD  A 463 (-4.0A)
NAD  A 463 (-2.7A)
None
1.26A 4ydqB-3efvA:
3.4
4ydqB-3efvA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.13A 4ydqB-3i04A:
5.0
4ydqB-3i04A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA


(Moorella
thermoacetica)
PF03063
(Prismane)
5 GLU A 611
VAL A 610
THR A 606
SER A 480
GLY A 475
None
1.36A 4ydqB-3i04A:
5.0
4ydqB-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)
7 GLU A 125
PRO A 145
THR A 146
ARG A 177
GLU A 196
HIS A 198
GLY A 296
None
None
PR8  A 601 (-4.0A)
PR8  A 601 ( 4.3A)
PR8  A 601 (-4.5A)
PR8  A 601 ( 4.5A)
PR8  A 601 (-3.4A)
0.62A 4ydqB-3ialA:
43.3
4ydqB-3ialA:
32.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ial PROLYL-TRNA
SYNTHETASE


(Giardia
intestinalis)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
6 PRO A 145
THR A 146
ARG A 177
TRP A 194
HIS A 198
GLY A 296
None
PR8  A 601 (-4.0A)
PR8  A 601 ( 4.3A)
None
PR8  A 601 ( 4.5A)
PR8  A 601 (-3.4A)
0.83A 4ydqB-3ialA:
43.3
4ydqB-3ialA:
32.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ial PROLYL-TRNA
SYNTHETASE


(Giardia
intestinalis)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
5 PRO A 145
THR A 146
GLU A 196
HIS A 198
PHE A 272
None
PR8  A 601 (-4.0A)
PR8  A 601 (-4.5A)
PR8  A 601 ( 4.5A)
None
1.37A 4ydqB-3ialA:
43.3
4ydqB-3ialA:
32.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3is6 PUTATIVE PERMEASE
PROTEIN, ABC
TRANSPORTER


(Porphyromonas
gingivalis)
PF12704
(MacB_PCD)
5 GLU A  96
VAL A  95
THR A  99
GLU A 125
PHE A 132
None
0.96A 4ydqB-3is6A:
undetectable
4ydqB-3is6A:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jb9 PRE-MRNA-SPLICING
FACTOR PRP5


(Schizosaccharomyces
pombe)
PF00400
(WD40)
5 PHE K 429
THR K 438
GLU K 440
PHE K 397
GLY K 393
None
1.32A 4ydqB-3jb9K:
undetectable
4ydqB-3jb9K:
15.12
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.
3nd0 SLL0855 PROTEIN

(Synechocystis
sp. PCC 6803)
PF00654
(Voltage_CLC)
5 PHE A 300
VAL A 328
THR A 305
SER A  82
GLY A 291
None
1.01A 4ydqB-3nd0A:
undetectable
4ydqB-3nd0A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ojy COMPLEMENT COMPONENT
C8 BETA CHAIN


(Homo sapiens)
PF00057
(Ldl_recept_a)
PF00090
(TSP_1)
PF01823
(MACPF)
5 PHE B 210
GLU B 192
GLU B 246
HIS B 249
GLY B 297
None
1.13A 4ydqB-3ojyB:
undetectable
4ydqB-3ojyB:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE


(Lactobacillus
acidophilus)
PF00171
(Aldedh)
5 PHE A 133
VAL A 138
THR A 206
ARG A 140
GLY A 428
None
1.23A 4ydqB-3rosA:
3.4
4ydqB-3rosA:
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.
3rxz POLYSACCHARIDE
DEACETYLASE


(Mycolicibacterium
smegmatis)
PF01522
(Polysacc_deac_1)
5 VAL A 178
PRO A 153
THR A 152
GLU A 119
GLY A 113
None
1.41A 4ydqB-3rxzA:
undetectable
4ydqB-3rxzA:
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.
3s4w FANCONI ANEMIA GROUP
D2 PROTEIN HOMOLOG


(Mus musculus)
PF14631
(FancD2)
5 PHE B1176
THR B1225
GLU B1208
SER B1219
GLY B1205
None
1.43A 4ydqB-3s4wB:
undetectable
4ydqB-3s4wB:
16.07
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE


(Salmonella
enterica)
PF02769
(AIRS_C)
PF13507
(GATase_5)
5 GLU A1173
VAL A1174
THR A1245
HIS A1196
GLY A1239
None
1.36A 4ydqB-3ummA:
undetectable
4ydqB-3ummA:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE


(Citrus x
microcarpa)
PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C)
5 PRO A 196
THR A 197
ARG A  94
SER A 208
GLY A 200
PRO  A 196 ( 1.1A)
THR  A 197 ( 0.8A)
ARG  A  94 ( 0.6A)
SER  A 208 ( 0.0A)
GLY  A 200 ( 0.0A)
1.29A 4ydqB-3wd7A:
undetectable
4ydqB-3wd7A:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.50A 4ydqB-4astA:
undetectable
4ydqB-4astA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis)
PF00141
(peroxidase)
5 VAL A 320
PRO A 325
THR A 326
SER A 175
GLY A 177
None
1.27A 4ydqB-4c51A:
undetectable
4ydqB-4c51A:
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.
4glx DNA LIGASE

(Escherichia
coli)
PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5)
5 GLU A 328
VAL A 327
PRO A 339
THR A 338
GLY A 335
None
1.45A 4ydqB-4glxA:
undetectable
4ydqB-4glxA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ita SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE


(Synechococcus
sp. PCC 7002)
PF00171
(Aldedh)
5 PHE A 132
VAL A 137
THR A 205
ARG A 139
GLY A 427
EDO  A 516 (-3.8A)
None
NDP  A 501 (-4.1A)
NDP  A 501 ( 2.7A)
None
1.10A 4ydqB-4itaA:
3.8
4ydqB-4itaA:
21.62
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.
4mk3 GLUTATHIONE
S-TRANSFERASE


(Cupriavidus
metallidurans)
PF13410
(GST_C_2)
PF13417
(GST_N_3)
5 PHE A 196
GLU A  21
VAL A  18
PHE A 186
GLY A 150
None
1.50A 4ydqB-4mk3A:
undetectable
4ydqB-4mk3A:
16.73
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.
4wv3 ANTHRANILATE-COA
LIGASE


(Stigmatella
aurantiaca)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
5 PHE A 230
TRP A  73
PHE A 323
SER A 171
GLY A  89
None
1.03A 4ydqB-4wv3A:
3.1
4ydqB-4wv3A:
21.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydq PROLINE--TRNA LIGASE

(Plasmodium
falciparum)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
7 GLU A 392
THR A 359
ARG A 390
GLU A 409
HIS A 411
PHE A 454
SER A 508
ANP  A 801 (-3.6A)
HFG  A 802 (-3.2A)
ANP  A 801 ( 2.5A)
HFG  A 802 ( 4.9A)
HFG  A 802 (-4.5A)
HFG  A 802 (-3.6A)
HFG  A 802 ( 3.8A)
1.34A 4ydqB-4ydqA:
54.6
4ydqB-4ydqA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydq PROLINE--TRNA LIGASE

(Plasmodium
falciparum)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
12 PHE A 335
GLU A 338
VAL A 339
PRO A 358
THR A 359
ARG A 390
TRP A 407
GLU A 409
HIS A 411
PHE A 454
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 (-3.2A)
ANP  A 801 ( 2.5A)
None
HFG  A 802 ( 4.9A)
HFG  A 802 (-4.5A)
HFG  A 802 (-3.6A)
HFG  A 802 ( 3.8A)
HFG  A 802 (-3.7A)
0.47A 4ydqB-4ydqA:
54.6
4ydqB-4ydqA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z4l CELLOBIOSE
2-EPIMERASE


(Caldicellulosiruptor
saccharolyticus)
PF07221
(GlcNAc_2-epim)
5 PHE A 171
GLU A 158
GLU A 250
HIS A 377
GLY A 246
None
1.47A 4ydqB-4z4lA:
undetectable
4ydqB-4z4lA:
22.84
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.
5ah1 TRIACYLGLYCEROL
LIPASE


(Clostridium
botulinum)
no annotation 5 GLU A  66
VAL A  67
HIS A 177
PHE A 329
SER A 223
None
1.49A 4ydqB-5ah1A:
undetectable
4ydqB-5ah1A:
20.84
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.
5frd CARBOXYLESTERASE
(EST-2)


(Archaeoglobus
fulgidus)
PF12697
(Abhydrolase_6)
5 PRO A 204
THR A 203
HIS A  88
SER A  29
GLY A  92
None
None
None
CL  A1258 ( 4.8A)
None
1.46A 4ydqB-5frdA:
3.0
4ydqB-5frdA:
18.64
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.
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
1.45A 4ydqB-5ft3A:
undetectable
4ydqB-5ft3A:
18.74
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.
5h05 AMYP

(marine
metagenome)
PF00128
(Alpha-amylase)
5 VAL A 126
PRO A  67
THR A  66
SER A  22
GLY A  43
None
1.43A 4ydqB-5h05A:
undetectable
4ydqB-5h05A:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5irr SEPTIN-LIKE PROTEIN

(Chlamydomonas
reinhardtii)
PF00735
(Septin)
5 PHE A 151
PRO A 147
THR A 146
HIS A 141
GLY A 122
None
None
MG  A 401 ( 3.2A)
GSP  A 402 (-4.2A)
GSP  A 402 (-3.1A)
1.21A 4ydqB-5irrA:
undetectable
4ydqB-5irrA:
22.17
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.
5kl0 PHOSPHOGLUCOMUTASE

(Xanthomonas
citri)
PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III)
5 GLU A 312
VAL A 311
THR A 304
GLU A 449
SER A 425
None
1.33A 4ydqB-5kl0A:
5.1
4ydqB-5kl0A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m6u PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM


(Homo sapiens)
PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B)
5 PRO A 817
THR A 818
TRP A 649
PHE A 778
GLY A 686
None
1.38A 4ydqB-5m6uA:
undetectable
4ydqB-5m6uA:
17.61
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.
5n11 HEMAGGLUTININ-ESTERA
SE


(Betacoronavirus
1)
PF02710
(Hema_HEFG)
PF03996
(Hema_esterase)
5 VAL A 361
PRO A  23
THR A  24
SER A 335
GLY A 339
None
1.48A 4ydqB-5n11A:
undetectable
4ydqB-5n11A:
20.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE


(Homo sapiens)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
5 GLU A1154
ARG A1152
TRP A1169
SER A1272
GLY A1274
91Y  A1601 (-4.6A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
1.12A 4ydqB-5vadA:
49.2
4ydqB-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE


(Homo sapiens)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
8 VAL A1101
PRO A1120
THR A1121
ARG A1152
GLU A1171
HIS A1173
SER A1272
GLY A1274
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.49A 4ydqB-5vadA:
49.2
4ydqB-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE


(Homo sapiens)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
8 VAL A1101
PRO A1120
THR A1121
ARG A1152
TRP A1169
HIS A1173
SER A1272
GLY A1274
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.5A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.79A 4ydqB-5vadA:
49.2
4ydqB-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE


(Homo sapiens)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
8 VAL A1101
PRO A1120
THR A1121
GLU A1171
HIS A1173
PHE A1216
SER A1272
GLY A1274
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.69A 4ydqB-5vadA:
49.2
4ydqB-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 6 GLU A 472
THR A 439
ARG A 470
GLU A 489
HIS A 491
SER A 588
ANP  A1001 (-3.4A)
86X  A1004 (-3.6A)
ANP  A1001 ( 2.9A)
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.6A)
1.41A 4ydqB-5xiiA:
52.8
4ydqB-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
THR A 439
ARG A 470
GLU A 489
HIS A 491
PHE A 534
SER A 588
GLY A 590
86X  A1004 (-3.6A)
MG  A1003 (-4.1A)
86X  A1004 (-4.2A)
86X  A1004 (-4.3A)
86X  A1004 (-3.6A)
ANP  A1001 ( 2.9A)
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.6A)
86X  A1004 (-3.6A)
86X  A1004 ( 4.2A)
0.46A 4ydqB-5xiiA:
52.8
4ydqB-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 9 VAL A 419
PRO A 438
THR A 439
ARG A 470
TRP A 487
HIS A 491
PHE A 534
SER A 588
GLY A 590
86X  A1004 (-4.2A)
86X  A1004 (-4.3A)
86X  A1004 (-3.6A)
ANP  A1001 ( 2.9A)
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.6A)
86X  A1004 (-3.6A)
86X  A1004 ( 4.2A)
0.66A 4ydqB-5xiiA:
52.8
4ydqB-5xiiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xil PUTATIVE PROLYL-TRNA
SYNTHETASE


(Leishmania
major)
no annotation 6 TRP A 407
GLU A 409
HIS A 411
PHE A 454
SER A 510
GLY A 512
None
0.80A 4ydqB-5xilA:
46.6
4ydqB-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 10 GLU A 310
VAL A 311
PRO A 330
THR A 331
ARG A 362
TRP A 379
HIS A 383
PHE A 426
SER A 480
GLY A 482
None
HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
HFG  A 801 (-3.4A)
ANP  A 803 ( 3.1A)
None
HFG  A 801 ( 4.7A)
HFG  A 801 (-3.7A)
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.9A)
0.73A 4ydqB-5xioA:
50.9
4ydqB-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 GLU A 364
THR A 331
ARG A 362
GLU A 381
HIS A 383
SER A 480
GLY A 482
ANP  A 803 (-3.7A)
HFG  A 801 (-3.4A)
ANP  A 803 ( 3.1A)
HFG  A 801 ( 4.9A)
HFG  A 801 ( 4.7A)
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.9A)
1.45A 4ydqB-5xioA:
50.9
4ydqB-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
GLU A 310
VAL A 311
PRO A 330
THR A 331
ARG A 362
GLU A 381
HIS A 383
PHE A 426
SER A 480
GLY A 482
HFG  A 801 (-3.7A)
None
HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
HFG  A 801 (-3.4A)
ANP  A 803 ( 3.1A)
HFG  A 801 ( 4.9A)
HFG  A 801 ( 4.7A)
HFG  A 801 (-3.7A)
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.9A)
0.53A 4ydqB-5xioA:
50.9
4ydqB-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
THR A 359
ARG A 390
TRP A 407
GLU A 409
HIS A 411
PHE A 454
SER A 508
GLY A 510
MG  A1002 ( 4.3A)
HFG  A1003 ( 4.6A)
HFG  A1003 (-4.3A)
HFG  A1003 (-3.9A)
ANP  A1001 (-2.8A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
HFG  A1003 (-3.4A)
HFG  A1003 ( 3.9A)
HFG  A1003 ( 3.9A)
0.62A 4ydqB-5xipA:
51.8
4ydqB-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 7 GLU A 392
THR A 359
ARG A 390
GLU A 409
HIS A 411
SER A 508
GLY A 510
ANP  A1001 (-3.8A)
HFG  A1003 (-3.9A)
ANP  A1001 (-2.8A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
HFG  A1003 ( 3.9A)
HFG  A1003 ( 3.9A)
1.31A 4ydqB-5xipA:
51.8
4ydqB-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
THR A 359
ARG A 390
GLU A 409
HIS A 411
PHE A 454
SER A 508
GLY A 510
HFG  A1003 (-3.8A)
MG  A1002 ( 4.3A)
HFG  A1003 ( 4.6A)
HFG  A1003 (-4.3A)
HFG  A1003 (-3.9A)
ANP  A1001 (-2.8A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
HFG  A1003 (-3.4A)
HFG  A1003 ( 3.9A)
HFG  A1003 ( 3.9A)
0.63A 4ydqB-5xipA:
51.8
4ydqB-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.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE


(Moorella
thermoacetica)
no annotation 5 PHE A 122
PRO A  30
THR A  29
ARG A 112
GLY A 836
None
None
None
HTL  A1204 (-3.1A)
HTL  A1204 (-3.4A)
1.22A 4ydqB-6cipA:
2.7
4ydqB-6cipA:
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.
6eon BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron)
no annotation 5 GLU A 388
VAL A 503
THR A 409
SER A 412
GLY A 458
None
1.18A 4ydqB-6eonA:
undetectable
4ydqB-6eonA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6grw -

(-)
no annotation 5 PRO A 407
GLU A 290
HIS A 266
SER A 267
GLY A 292
None
1.17A 4ydqB-6grwA:
2.0
4ydqB-6grwA:
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.
1b8g PROTEIN
(1-AMINOCYCLOPROPANE
-1-CARBOXYLATE
SYNTHASE)


(Malus domestica)
PF00155
(Aminotran_1_2)
3 GLU A 184
THR A 142
HIS A 164
None
0.79A 4ydqB-1b8gA:
undetectable
4ydqB-1b8gA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fse GERE

(Bacillus
subtilis)
PF00196
(GerE)
3 GLU A  18
THR A  42
HIS A  46
None
0.61A 4ydqB-1fseA:
undetectable
4ydqB-1fseA:
10.07
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.
1gvh FLAVOHEMOPROTEIN

(Escherichia
coli)
PF00042
(Globin)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6)
3 GLU A 108
THR A  34
HIS A  35
None
0.79A 4ydqB-1gvhA:
0.7
4ydqB-1gvhA:
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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA


(Desulfovibrio
gigas)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
3 GLU A 152
THR A 416
HIS A 153
None
0.76A 4ydqB-1h0hA:
0.0
4ydqB-1h0hA:
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.
1lbz FRUCTOSE
1,6-BISPHOSPHATASE/I
NOSITOL
MONOPHOSPHATASE


(Archaeoglobus
fulgidus)
PF00459
(Inositol_P)
3 GLU A 241
THR A 216
HIS A 244
None
0.76A 4ydqB-1lbzA:
undetectable
4ydqB-1lbzA:
19.64
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)
3 GLU A 119
THR A 235
HIS A 237
5CA  A 512 (-3.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-4.4A)
0.36A 4ydqB-1nj1A:
44.2
4ydqB-1nj1A:
31.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj8 PROLINE-TRNA
SYNTHETASE


(Methanocaldococcus
jannaschii)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2)
3 GLU A 103
THR A 219
HIS A 221
None
0.72A 4ydqB-1nj8A:
42.0
4ydqB-1nj8A:
35.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1olx 2-OXOISOVALERATE
DEHYDROGENASE BETA
SUBUNIT


(Homo sapiens)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
3 GLU B 322
THR B 229
HIS B   3
None
0.82A 4ydqB-1olxB:
3.9
4ydqB-1olxB:
21.17
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.
1pk9 PURINE NUCLEOSIDE
PHOSPHORYLASE


(Escherichia
coli)
PF01048
(PNP_UDP_1)
3 GLU A 171
THR A 208
HIS A 205
None
0.83A 4ydqB-1pk9A:
0.0
4ydqB-1pk9A:
17.13
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.
1qd1 FORMIMINOTRANSFERASE
-CYCLODEAMINASE


(Sus scrofa)
PF02971
(FTCD)
PF07837
(FTCD_N)
3 GLU A 287
THR A 248
HIS A 247
None
0.70A 4ydqB-1qd1A:
undetectable
4ydqB-1qd1A:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t0p INTEGRIN ALPHA-L
INTERCELLULAR
ADHESION MOLECULE-3


(Homo sapiens;
Homo sapiens)
PF00092
(VWA)
PF03921
(ICAM_N)
3 GLU A 269
THR B  38
HIS A 264
None
0.83A 4ydqB-1t0pA:
4.0
4ydqB-1t0pA:
16.16
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.
1v26 LONG-CHAIN-FATTY-ACI
D-COA SYNTHETASE


(Thermus
thermophilus)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
3 GLU A 161
THR A  48
HIS A  46
None
0.80A 4ydqB-1v26A:
undetectable
4ydqB-1v26A:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vft ALANINE RACEMASE

(Streptomyces
lavendulae)
PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N)
3 GLU A 327
THR A 261
HIS A 281
None
0.82A 4ydqB-1vftA:
undetectable
4ydqB-1vftA:
18.63
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.
1vmf HYPOTHETICAL PROTEIN

(Bacillus
halodurans)
PF01894
(UPF0047)
3 GLU A  79
THR A  42
HIS A  85
None
ACT  A 135 (-3.1A)
None
0.65A 4ydqB-1vmfA:
undetectable
4ydqB-1vmfA:
13.62
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.
1xbf CLOSTRIDIUM
ACETOBUTYLICUM
Q97KL0


(Clostridium
acetobutylicum)
PF01894
(UPF0047)
3 GLU A  81
THR A  45
HIS A  87
None
SO4  A 201 (-3.1A)
None
0.67A 4ydqB-1xbfA:
undetectable
4ydqB-1xbfA:
12.80
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.
1xbf CLOSTRIDIUM
ACETOBUTYLICUM
Q97KL0


(Clostridium
acetobutylicum)
PF01894
(UPF0047)
3 GLU A  81
THR A  46
HIS A  87
None
SO4  A 201 (-3.4A)
None
0.82A 4ydqB-1xbfA:
undetectable
4ydqB-1xbfA:
12.80
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.
1ya0 SMG-7 TRANSCRIPT
VARIANT 2


(Homo sapiens)
PF10373
(EST1_DNA_bind)
PF10374
(EST1)
3 GLU A 420
THR A 204
HIS A 296
None
0.61A 4ydqB-1ya0A:
undetectable
4ydqB-1ya0A:
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.
2aym U1 SMALL NUCLEAR
RIBONUCLEOPROTEIN A


(Drosophila
melanogaster)
PF00076
(RRM_1)
3 GLU A  19
THR A  73
HIS A  74
None
0.79A 4ydqB-2aymA:
undetectable
4ydqB-2aymA:
11.52
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.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1


(Homo sapiens)
PF03178
(CPSF_A)
PF10433
(MMS1_N)
3 GLU A 811
THR A 860
HIS A 805
None
0.83A 4ydqB-2b5mA:
undetectable
4ydqB-2b5mA:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dv6 NITRITE REDUCTASE

(Hyphomicrobium
denitrificans)
PF07732
(Cu-oxidase_3)
3 GLU A 172
THR A 262
HIS A 268
None
CU  A 500 ( 4.9A)
CU  A 500 (-3.1A)
0.71A 4ydqB-2dv6A:
undetectable
4ydqB-2dv6A:
22.81
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.
2efl FORMIN-BINDING
PROTEIN 1


(Homo sapiens)
PF00611
(FCH)
3 GLU A 200
THR A 207
HIS A 208
None
0.83A 4ydqB-2eflA:
undetectable
4ydqB-2eflA:
20.87
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.
2fj0 CARBOXYLIC ESTER
HYDROLASE


(Manduca sexta)
PF00135
(COesterase)
3 GLU A 161
THR A 172
HIS A 118
None
0.75A 4ydqB-2fj0A:
undetectable
4ydqB-2fj0A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o1v ENDOPLASMIN

(Canis lupus)
PF00183
(HSP90)
PF02518
(HATPase_c)
3 GLU A 157
THR A 219
HIS A 221
None
0.72A 4ydqB-2o1vA:
undetectable
4ydqB-2o1vA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p76 GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE


(Staphylococcus
aureus)
PF03009
(GDPD)
3 GLU A  68
THR A 278
HIS A  59
None
None
GOL  A 501 (-3.8A)
0.75A 4ydqB-2p76A:
undetectable
4ydqB-2p76A:
18.64
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.
2qr4 PEPTIDASE M3B,
OLIGOENDOPEPTIDASE F


(Enterococcus
faecium)
PF01432
(Peptidase_M3)
PF08439
(Peptidase_M3_N)
3 GLU A 268
THR A 473
HIS A 469
None
0.79A 4ydqB-2qr4A:
undetectable
4ydqB-2qr4A:
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.
2qy1 PECTATE LYASE II

(Xanthomonas
campestris)
PF00544
(Pec_lyase_C)
3 GLU A 353
THR A 188
HIS A 220
None
0.83A 4ydqB-2qy1A:
undetectable
4ydqB-2qy1A:
19.80
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.
2r8a LONG-CHAIN FATTY
ACID TRANSPORT
PROTEIN


(Escherichia
coli)
PF03349
(Toluene_X)
3 GLU A  20
THR A 332
HIS A 290
None
0.73A 4ydqB-2r8aA:
undetectable
4ydqB-2r8aA:
21.73
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.
2w57 FERRIC UPTAKE
REGULATION PROTEIN


(Vibrio cholerae)
PF01475
(FUR)
3 GLU A 101
THR A  69
HIS A  71
ZN  A 202 ( 4.6A)
None
ZN  A 202 ( 4.9A)
0.82A 4ydqB-2w57A:
undetectable
4ydqB-2w57A:
15.20
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.
2w9m POLYMERASE X

(Deinococcus
radiodurans)
PF14520
(HHH_5)
PF14716
(HHH_8)
3 GLU A 507
THR A 539
HIS A 542
None
0.75A 4ydqB-2w9mA:
undetectable
4ydqB-2w9mA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x5f ASPARTATE_TYROSINE_P
HENYLALANINE
PYRIDOXAL-5'
PHOSPHATE-DEPENDENT
AMINOTRANSFERASE


(Staphylococcus
aureus)
PF00155
(Aminotran_1_2)
3 GLU A 105
THR A 210
HIS A 206
None
0.79A 4ydqB-2x5fA:
undetectable
4ydqB-2x5fA:
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.
2zoo PROBABLE NITRITE
REDUCTASE


(Pseudoalteromonas
haloplanktis)
PF00034
(Cytochrom_C)
PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3)
3 GLU A  37
THR A 127
HIS A 133
None
CU  A 500 ( 4.6A)
CU  A 500 (-3.1A)
0.77A 4ydqB-2zooA:
undetectable
4ydqB-2zooA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zr2 SERYL-TRNA
SYNTHETASE


(Pyrococcus
horikoshii)
PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N)
3 GLU A 306
THR A 230
HIS A 255
None
0.82A 4ydqB-2zr2A:
21.8
4ydqB-2zr2A:
22.10
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.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE


(Thermus
thermophilus)
PF05175
(MTS)
3 GLU A 276
THR A 199
HIS A 201
None
0.77A 4ydqB-2zwvA:
undetectable
4ydqB-2zwvA:
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.
3bpk NITRILOTRIACETATE
MONOOXYGENASE
COMPONENT B


(Bacillus cereus)
PF01613
(Flavin_Reduct)
3 GLU A 128
THR A  31
HIS A  84
None
0.67A 4ydqB-3bpkA:
undetectable
4ydqB-3bpkA:
18.53
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.
3g7t ENVELOPE PROTEIN

(Dengue virus)
PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C)
3 GLU A  26
THR A 315
HIS A 317
None
0.82A 4ydqB-3g7tA:
undetectable
4ydqB-3g7tA:
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.
3gm5 LACTOYLGLUTATHIONE
LYASE AND RELATED
LYASES


(Caldanaerobacter
subterraneus)
PF13669
(Glyoxalase_4)
3 GLU A  74
THR A  84
HIS A  97
CIT  A 379 (-2.9A)
None
None
0.59A 4ydqB-3gm5A:
undetectable
4ydqB-3gm5A:
12.27
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.
3hn7 UDP-N-ACETYLMURAMATE
-L-ALANINE LIGASE


(Psychrobacter
arcticus)
PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M)
3 GLU A 181
THR A 379
HIS A 377
None
0.77A 4ydqB-3hn7A:
3.0
4ydqB-3hn7A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iu1 GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE 1


(Homo sapiens)
PF01233
(NMT)
PF02799
(NMT_C)
3 GLU A 370
THR A 354
HIS A 350
None
0.81A 4ydqB-3iu1A:
undetectable
4ydqB-3iu1A:
21.48
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.
3iuu PUTATIVE
METALLOPEPTIDASE


(Chelativorans
sp. BNC1)
PF07171
(MlrC_C)
PF07364
(DUF1485)
3 GLU A  14
THR A 160
HIS A 162
IMD  A 496 (-3.3A)
None
ZN  A 495 ( 3.3A)
0.81A 4ydqB-3iuuA:
1.6
4ydqB-3iuuA:
20.22
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.
3nva CTP SYNTHASE

(Sulfolobus
solfataricus)
PF00117
(GATase)
PF06418
(CTP_synth_N)
3 GLU A 314
THR A  20
HIS A  75
None
0.77A 4ydqB-3nvaA:
3.6
4ydqB-3nvaA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p7n SENSOR HISTIDINE
KINASE


(Erythrobacter
litoralis)
PF00196
(GerE)
PF13426
(PAS_9)
3 GLU A 169
THR A 193
HIS A 197
None
0.75A 4ydqB-3p7nA:
undetectable
4ydqB-3p7nA:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qtd PMBA PROTEIN

(Pseudomonas
aeruginosa)
PF01523
(PmbA_TldD)
3 GLU A 213
THR A 184
HIS A 186
None
0.44A 4ydqB-3qtdA:
undetectable
4ydqB-3qtdA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tfz CYCLASE

(Streptomyces
sp. R1128)
PF10604
(Polyketide_cyc2)
3 GLU A  38
THR A  61
HIS A  52
None
0.76A 4ydqB-3tfzA:
undetectable
4ydqB-3tfzA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vrh PUTATIVE
UNCHARACTERIZED
PROTEIN PH0300


(Pyrococcus
horikoshii)
PF01171
(ATP_bind_3)
3 GLU A 160
THR A 153
HIS A 155
None
BCN  A 403 (-4.1A)
BCN  A 403 ( 3.9A)
0.83A 4ydqB-3vrhA:
2.1
4ydqB-3vrhA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vu0 PUTATIVE
UNCHARACTERIZED
PROTEIN


(Archaeoglobus
fulgidus)
no annotation 3 GLU A 505
THR A 576
HIS A 577
None
0.84A 4ydqB-3vu0A:
undetectable
4ydqB-3vu0A:
16.08
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.
3vyl L-RIBULOSE
3-EPIMERASE


(Mesorhizobium
loti)
PF01261
(AP_endonuc_2)
3 GLU A 147
THR A 256
HIS A 111
MN  A1001 (-2.5A)
None
None
0.82A 4ydqB-3vylA:
undetectable
4ydqB-3vylA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zbm COPPER-CONTAINING
NITRITE REDUCTASE


(Ralstonia
pickettii)
PF07732
(Cu-oxidase_3)
PF13442
(Cytochrome_CBB3)
3 GLU A  47
THR A 137
HIS A 143
None
CU  A1460 ( 4.6A)
CU  A1460 (-3.1A)
0.75A 4ydqB-3zbmA:
undetectable
4ydqB-3zbmA:
21.65
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata)
PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s)
3 GLU A 349
THR A 200
HIS A  42
None
CUO  A9001 ( 4.9A)
CUO  A9001 (-3.4A)
0.78A 4ydqB-4bedA:
undetectable
4ydqB-4bedA:
15.70
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.
4bla MALTOSE-BINDING
PERIPLASMIC PROTEIN,
SUPPRESSOR OF FUSED
HOMOLOG


(Escherichia
coli;
Homo sapiens)
PF05076
(SUFU)
PF12470
(SUFU_C)
PF13416
(SBP_bac_8)
3 GLU A 641
THR A 545
HIS A 549
None
0.74A 4ydqB-4blaA:
undetectable
4ydqB-4blaA:
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.
4bwe GLYPICAN-1

(Homo sapiens)
PF01153
(Glypican)
3 GLU A 311
THR A 121
HIS A 318
None
0.65A 4ydqB-4bweA:
undetectable
4ydqB-4bweA:
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.
4cns DIHYDROPYRIMIDINASE-
LIKE 3


(Homo sapiens)
PF01979
(Amidohydro_1)
3 GLU A 359
THR A 335
HIS A 333
None
EDO  A1492 ( 4.9A)
None
0.77A 4ydqB-4cnsA:
undetectable
4ydqB-4cnsA:
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.
4cns DIHYDROPYRIMIDINASE-
LIKE 3


(Homo sapiens)
PF01979
(Amidohydro_1)
3 GLU A 360
THR A 335
HIS A 333
None
EDO  A1492 ( 4.9A)
None
0.58A 4ydqB-4cnsA:
undetectable
4ydqB-4cnsA:
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.
4cnt DIHYDROPYRIMIDINASE-
LIKE 3


(Homo sapiens)
PF01979
(Amidohydro_1)
3 GLU A 360
THR A 335
HIS A 333
None
0.62A 4ydqB-4cntA:
undetectable
4ydqB-4cntA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g3v TRANSCRIPTIONAL
REGULATOR NLH2


(Aquifex
aeolicus)
PF13185
(GAF_2)
3 GLU A  43
THR A 110
HIS A 113
CL  A 202 (-3.1A)
None
CL  A 202 (-4.0A)
0.83A 4ydqB-4g3vA:
undetectable
4ydqB-4g3vA:
16.16
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.
4h27 L-SERINE
DEHYDRATASE/L-THREON
INE DEAMINASE


(Homo sapiens)
PF00291
(PALP)
3 GLU A 244
THR A 206
HIS A 202
None
0.82A 4ydqB-4h27A:
undetectable
4ydqB-4h27A:
19.84
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.
4hnl MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME


(Enterococcus
gallinarum)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
3 GLU A 267
THR A 243
HIS A 240
None
0.73A 4ydqB-4hnlA:
undetectable
4ydqB-4hnlA:
21.92
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.
4j7q PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
PDR16


(Saccharomyces
cerevisiae)
PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N)
3 GLU A 117
THR A 231
HIS A 232
None
0.74A 4ydqB-4j7qA:
undetectable
4ydqB-4j7qA:
22.61
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.
4mif PYRANOSE 2-OXIDASE

(Phanerochaete
chrysosporium)
PF05199
(GMC_oxred_C)
3 GLU A 178
THR A 442
HIS A 452
None
0.82A 4ydqB-4mifA:
undetectable
4ydqB-4mifA:
21.25
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.
4nre ARACHIDONATE
15-LIPOXYGENASE B


(Homo sapiens)
PF00305
(Lipoxygenase)
PF01477
(PLAT)
3 GLU A  32
THR A 115
HIS A  70
None
0.81A 4ydqB-4nreA:
undetectable
4ydqB-4nreA:
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.
4ojz PUTATIVE ALGINATE
LYASE


(Saccharophagus
degradans)
PF05426
(Alginate_lyase)
PF07940
(Hepar_II_III)
3 GLU A 150
THR A  85
HIS A  89
None
0.81A 4ydqB-4ojzA:
undetectable
4ydqB-4ojzA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oua PROTEOLYTICALLY
ACTIVATED FORM OF
PPO4 TYROSINASE


(Agaricus
bisporus)
PF00264
(Tyrosinase)
3 GLU A 238
THR A 242
HIS A 243
None
0.81A 4ydqB-4ouaA:
undetectable
4ydqB-4ouaA:
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.
4oue PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron)
PF00754
(F5_F8_type_C)
PF01120
(Alpha_L_fucos)
3 GLU A 299
THR A 329
HIS A 333
None
0.77A 4ydqB-4oueA:
undetectable
4ydqB-4oueA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ppu CHORISMATE MUTASE 1,
CHLOROPLASTIC


(Arabidopsis
thaliana)
no annotation 3 GLU A 156
THR A 141
HIS A 145
TYR  A 401 ( 4.5A)
None
None
0.75A 4ydqB-4ppuA:
undetectable
4ydqB-4ppuA:
17.13
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.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV


(Bacteroides
ovatus)
PF00326
(Peptidase_S9)
PF00930
(DPPIV_N)
3 GLU A 400
THR A 485
HIS A 496
None
0.83A 4ydqB-4q1vA:
2.2
4ydqB-4q1vA:
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.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis)
PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C)
3 GLU A 119
THR A   4
HIS A   6
None
0.79A 4ydqB-4qmeA:
undetectable
4ydqB-4qmeA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r04 TOXIN A

(Clostridioides
difficile)
PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore)
3 GLU A 573
THR A 651
HIS A 581
None
0.79A 4ydqB-4r04A:
2.1
4ydqB-4r04A:
13.18
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.
4r7o GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE,
PUTATIVE


(Bacillus
anthracis)
PF03009
(GDPD)
3 GLU A  52
THR A 281
HIS A  43
None
None
GOL  A 405 (-3.8A)
0.79A 4ydqB-4r7oA:
undetectable
4ydqB-4r7oA:
19.80
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.
4ww7 EKC/KEOPS COMPLEX
SUBUNIT BUD32


(Saccharomyces
cerevisiae)
PF06293
(Kdo)
3 GLU A 107
THR A 177
HIS A 179
None
0.81A 4ydqB-4ww7A:
undetectable
4ydqB-4ww7A:
18.51
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.
4x04 SOLUTE BINDING
PROTEIN


(Citrobacter
koseri)
PF03480
(DctP)
3 GLU A  74
THR A 217
HIS A  36
BDP  A 401 ( 2.9A)
BDP  A 401 (-3.8A)
BDP  A 401 (-4.1A)
0.80A 4ydqB-4x04A:
undetectable
4ydqB-4x04A:
23.32
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.
4xeb GLUCANASE

(Talaromyces
funiculosus)
PF00840
(Glyco_hydro_7)
3 GLU A 187
THR A 236
HIS A 203
None
0.80A 4ydqB-4xebA:
undetectable
4ydqB-4xebA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xfe TRAP DICARBOXYLATE
TRANSPORTER SUBUNIT
DCTP


(Pseudomonas
putida)
PF03480
(DctP)
3 GLU A  71
THR A 213
HIS A  33
BDP  A 401 (-2.8A)
BDP  A 401 (-3.9A)
BDP  A 401 (-4.0A)
0.83A 4ydqB-4xfeA:
2.3
4ydqB-4xfeA:
20.23
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)
3 GLU A 361
THR A 478
HIS A 480
HFG  A 802 (-2.9A)
HFG  A 802 ( 4.0A)
HFG  A 802 (-4.0A)
0.30A 4ydqB-4ydqA:
54.6
4ydqB-4ydqA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zoq INTRACELLULAR SERINE
PROTEASE


(Bacillus
licheniformis)
PF00082
(Peptidase_S8)
3 GLU I 232
THR I 204
HIS I 231
None
0.81A 4ydqB-4zoqI:
2.8
4ydqB-4zoqI:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5brl STAR-RELATED LIPID
TRANSFER PROTEIN 4


(Mus musculus)
PF01852
(START)
3 GLU A 142
THR A 186
HIS A  38
None
0.81A 4ydqB-5brlA:
2.8
4ydqB-5brlA:
16.87
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.
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE


(Acinetobacter
baumannii)
PF00275
(EPSP_synthase)
3 GLU A 377
THR A 350
HIS A 387
None
0.74A 4ydqB-5bs5A:
undetectable
4ydqB-5bs5A:
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.
5cyr RNA-DEPENDENT RNA
POLYMERASE


(Thosea asigna
virus)
no annotation 3 GLU B 262
THR B 109
HIS B 110
None
0.82A 4ydqB-5cyrB:
undetectable
4ydqB-5cyrB:
20.26
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.
5f7v LMO0181 PROTEIN

(Listeria
monocytogenes)
PF01547
(SBP_bac_1)
3 GLU A 236
THR A 150
HIS A 267
None
0.83A 4ydqB-5f7vA:
undetectable
4ydqB-5f7vA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gnd PUTATIVE SERINE
PROTEASE HHOA


(Synechocystis
sp. PCC 6803)
PF13180
(PDZ_2)
PF13365
(Trypsin_2)
3 GLU A 361
THR A 157
HIS A 286
None
0.64A 4ydqB-5gndA:
undetectable
4ydqB-5gndA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i6e ACETYL-COA
CARBOXYLASE


(Saccharomyces
cerevisiae)
PF08326
(ACC_central)
3 GLU A 935
THR A1005
HIS A1009
None
0.72A 4ydqB-5i6eA:
undetectable
4ydqB-5i6eA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER


(Shigella
flexneri)
PF02395
(Peptidase_S6)
3 GLU A 687
THR A 643
HIS A 645
None
0.55A 4ydqB-5j44A:
undetectable
4ydqB-5j44A:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jiu RAN-BINDING PROTEIN
9


(Homo sapiens)
PF00622
(SPRY)
3 GLU A 160
THR A 205
HIS A 206
None
0.71A 4ydqB-5jiuA:
undetectable
4ydqB-5jiuA:
16.84
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.
5jo7 VETISPIRADIENE
SYNTHASE 1


(Hyoscyamus
muticus)
PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C)
3 GLU A 511
THR A 426
HIS A 429
None
0.77A 4ydqB-5jo7A:
undetectable
4ydqB-5jo7A:
20.86
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.
5l8v DNA REPAIR AND
RECOMBINATION
PROTEIN RADA


(Pyrococcus
furiosus)
PF08423
(Rad51)
3 GLU A 180
THR A 145
HIS A 149
None
PO4  A 401 (-4.3A)
None
0.79A 4ydqB-5l8vA:
undetectable
4ydqB-5l8vA:
18.99
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.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1


(Francisella
tularensis)
no annotation 3 GLU A1225
THR A 940
HIS A 922
None
0.73A 4ydqB-5ng6A:
undetectable
4ydqB-5ng6A:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4


(Homo sapiens)
no annotation 3 GLU A 360
THR A 335
HIS A 333
GLU  A 360 ( 0.6A)
THR  A 335 ( 0.8A)
HIS  A 333 ( 1.0A)
0.52A 4ydqB-5nksA:
undetectable
4ydqB-5nksA:
21.13
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.
5uqc DIHYDROPYRIMIDINASE-
RELATED PROTEIN 2


(Mus musculus)
PF01979
(Amidohydro_1)
3 GLU A 359
THR A 335
HIS A 333
None
0.79A 4ydqB-5uqcA:
undetectable
4ydqB-5uqcA:
22.20
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.
5uqc DIHYDROPYRIMIDINASE-
RELATED PROTEIN 2


(Mus musculus)
PF01979
(Amidohydro_1)
3 GLU A 360
THR A 335
HIS A 333
None
0.57A 4ydqB-5uqcA:
undetectable
4ydqB-5uqcA:
22.20
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.
5v52 T-CELL
IMMUNORECEPTOR WITH
IG AND ITIM DOMAINS


(Homo sapiens)
PF07686
(V-set)
3 GLU A  60
THR A 117
HIS A 111
None
0.74A 4ydqB-5v52A:
undetectable
4ydqB-5v52A:
12.10
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)
3 GLU A1123
THR A1240
HIS A1242
PRO  A1602 (-2.8A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
0.40A 4ydqB-5vadA:
49.2
4ydqB-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.
5vc2 SERINE
HYDROXYMETHYLTRANSFE
RASE


(Helicobacter
pylori)
PF00464
(SHMT)
3 GLU A  19
THR A 338
HIS A  26
None
0.83A 4ydqB-5vc2A:
undetectable
4ydqB-5vc2A:
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.
5w70 L-GLUTAMINE:2-DEOXY-
SCYLLO-INOSOSE
AMINOTRANSFERASE


(Streptomyces
ribosidificus)
PF01041
(DegT_DnrJ_EryC1)
3 GLU A 224
THR A 248
HIS A 225
None
0.73A 4ydqB-5w70A:
undetectable
4ydqB-5w70A:
18.52
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.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)


(Toxoplasma
gondii)
no annotation 3 GLU A 441
THR A 558
HIS A 560
86X  A1004 (-3.0A)
86X  A1004 (-3.9A)
86X  A1004 (-3.7A)
0.35A 4ydqB-5xiiA:
52.8
4ydqB-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 3 GLU A 333
THR A 450
HIS A 452
HFG  A 801 (-3.0A)
ANP  A 803 (-3.9A)
HFG  A 801 (-4.2A)
0.52A 4ydqB-5xioA:
50.9
4ydqB-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 3 GLU A 361
THR A 478
HIS A 480
HFG  A1003 (-2.9A)
ANP  A1001 ( 3.7A)
HFG  A1003 (-3.5A)
0.19A 4ydqB-5xipA:
51.8
4ydqB-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.
5xjy ATP-BINDING CASSETTE
SUB-FAMILY A MEMBER
1


(Homo sapiens)
PF00005
(ABC_tran)
PF12698
(ABC2_membrane_3)
3 GLU A1420
THR A1630
HIS A 551
None
0.76A 4ydqB-5xjyA:
2.2
4ydqB-5xjyA:
11.99
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.
5xww AMPHB

(Streptomyces
nodosus)
no annotation 3 GLU A 284
THR A 332
HIS A 336
None
0.75A 4ydqB-5xwwA:
undetectable
4ydqB-5xwwA:
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.
6b3p AMY13K

([Eubacterium]
rectale)
no annotation 3 GLU A 366
THR A 224
HIS A 226
None
FMT  A 422 ( 2.8A)
FMT  A 420 (-3.5A)
0.83A 4ydqB-6b3pA:
undetectable
4ydqB-6b3pA:
18.26
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.
6byi BETA-MANNOSIDASE

(Xanthomonas
citri)
no annotation 3 GLU A 714
THR A 569
HIS A 653
None
0.67A 4ydqB-6byiA:
undetectable
4ydqB-6byiA:
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.
6cza -

(-)
no annotation 3 GLU A 648
THR A 322
HIS A 323
None
0.74A 4ydqB-6czaA:
undetectable
4ydqB-6czaA:
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.
6gru ADP-SUGAR
PYROPHOSPHATASE


(Homo sapiens)
no annotation 3 GLU A 106
THR A  58
HIS A 142
None
0.63A 4ydqB-6gruA:
undetectable
4ydqB-6gruA:
undetectable