SIMILAR PATTERNS OF AMINO ACIDS FOR 4YDQ_B_HFGB802_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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