SIMILAR PATTERNS OF AMINO ACIDS FOR 5XIO_A_HFGA801_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.
1amk TRIOSE PHOSPHATE
ISOMERASE


(Leishmania
mexicana)
PF00121
(TIM)
5 GLU A 167
HIS A  95
THR A 130
SER A  96
GLY A 128
PGA  A 600 (-2.4A)
PGA  A 600 (-4.0A)
None
None
None
1.39A 5xioA-1amkA:
undetectable
5xioA-1amkA:
21.69
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.
1b9b PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)


(Thermotoga
maritima)
PF00121
(TIM)
5 GLU A 168
HIS A  96
THR A 131
SER A  97
GLY A 129
None
1.37A 5xioA-1b9bA:
undetectable
5xioA-1b9bA:
18.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bou 4,5-DIOXYGENASE
ALPHA CHAIN
4,5-DIOXYGENASE BETA
CHAIN


(Sphingomonas
paucimobilis;
Sphingomonas
paucimobilis)
PF07746
(LigA)
PF02900
(LigB)
5 VAL B 155
GLU B  86
PHE A  96
THR A  98
GLY B  87
None
1.33A 5xioA-1bouB:
undetectable
5xioA-1bouB:
20.36
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)
7 GLU A 144
TRP A 158
GLU A 160
HIS A 162
THR A 228
SER A 258
GLY A 260
None
1.17A 5xioA-1hc7A:
45.4
5xioA-1hc7A:
40.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hc7 PROLYL-TRNA
SYNTHETASE


(Thermus
thermophilus)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
8 PRO A 110
ARG A 142
TRP A 158
GLU A 160
HIS A 162
PHE A 205
THR A 228
GLY A 260
None
0.69A 5xioA-1hc7A:
45.4
5xioA-1hc7A:
40.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hc7 PROLYL-TRNA
SYNTHETASE


(Thermus
thermophilus)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
8 PRO A 110
TRP A 158
GLU A 160
HIS A 162
PHE A 205
THR A 228
SER A 258
GLY A 260
None
0.58A 5xioA-1hc7A:
45.4
5xioA-1hc7A:
40.99
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.
1kwm PROCARBOXYPEPTIDASE
B


(Homo sapiens)
PF00246
(Peptidase_M14)
PF02244
(Propep_M14)
5 GLU A  72
PRO A 143
THR A  44
SER A 157
GLY A 155
ZN  A 400 (-2.1A)
None
None
None
None
1.47A 5xioA-1kwmA:
2.3
5xioA-1kwmA:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE


(Methanothermobacter
thermautotrophicus)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
7 GLU A  96
VAL A  97
PRO A 116
ARG A 148
GLU A 168
HIS A 170
GLY A 267
None
None
None
5CA  A 512 (-2.9A)
None
None
5CA  A 512 (-3.9A)
0.60A 5xioA-1nj1A:
42.7
5xioA-1nj1A:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE


(Methanothermobacter
thermautotrophicus)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
6 GLU A  96
VAL A  97
PRO A 116
ARG A 148
HIS A 170
THR A 218
None
None
None
5CA  A 512 (-2.9A)
None
None
1.32A 5xioA-1nj1A:
42.7
5xioA-1nj1A:
34.27
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
HIS A 170
PHE A 212
THR A 235
GLY A 267
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
0.94A 5xioA-1nj1A:
42.7
5xioA-1nj1A:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE


(Methanothermobacter
thermautotrophicus)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
7 VAL A  97
PRO A 116
ARG A 148
GLU A 168
HIS A 170
THR A 235
GLY A 267
None
None
5CA  A 512 (-2.9A)
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
0.49A 5xioA-1nj1A:
42.7
5xioA-1nj1A:
34.27
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)
7 GLU A  80
VAL A  81
PRO A 100
GLU A 152
HIS A 154
THR A 219
GLY A 251
None
0.48A 5xioA-1nj8A:
40.8
5xioA-1nj8A:
37.40
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
HIS A 154
PHE A 196
None
0.93A 5xioA-1nj8A:
40.8
5xioA-1nj8A:
37.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nrk YGFZ PROTEIN

(Escherichia
coli)
PF01571
(GCV_T)
5 PHE A 133
VAL A 144
PRO A 137
GLU A 159
GLY A 122
None
1.44A 5xioA-1nrkA:
undetectable
5xioA-1nrkA:
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.
1ozh ACETOLACTATE
SYNTHASE, CATABOLIC


(Klebsiella
pneumoniae)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
5 PHE A 508
GLU A 458
PRO A 534
PHE A 450
SER A 445
None
1.37A 5xioA-1ozhA:
undetectable
5xioA-1ozhA:
21.53
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.
1rp1 PANCREATIC LIPASE
RELATED PROTEIN 1


(Canis lupus)
PF00151
(Lipase)
PF01477
(PLAT)
5 GLU A 160
VAL A 123
PRO A  29
ARG A 122
THR A  20
None
1.46A 5xioA-1rp1A:
2.8
5xioA-1rp1A:
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.
1ryl HYPOTHETICAL PROTEIN
YFBM


(Escherichia
coli)
PF08974
(DUF1877)
5 PHE A  59
PHE A  84
THR A 163
SER A  76
GLY A  73
None
1.47A 5xioA-1rylA:
undetectable
5xioA-1rylA:
17.51
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.
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
1.48A 5xioA-1twdA:
undetectable
5xioA-1twdA:
17.91
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1
GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)


(Thermus
thermophilus;
Thermus
thermophilus)
PF02347
(GDC-P)
PF02347
(GDC-P)
5 VAL B 317
PRO B 129
ARG B 318
HIS B 265
THR A 326
None
1.49A 5xioA-1wytB:
undetectable
5xioA-1wytB:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xqm KINDLING FLUORESCENT
PROTEIN


(Anemonia
sulcata)
PF01353
(GFP)
5 GLU A 149
VAL A 150
HIS A 197
PHE A  80
GLY A 219
None
None
CH6  A  63 ( 3.5A)
None
None
1.14A 5xioA-1xqmA:
undetectable
5xioA-1xqmA:
18.20
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.
2cjq RNA-DIRECTED RNA
POLYMERASE


(Pestivirus A)
PF00998
(RdRP_3)
5 PHE A 192
VAL A 419
PRO A 314
THR A 203
SER A 199
None
1.47A 5xioA-2cjqA:
undetectable
5xioA-2cjqA:
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.
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)
1.12A 5xioA-2dq3A:
11.6
5xioA-2dq3A:
22.67
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.
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
1.42A 5xioA-2erqA:
2.7
5xioA-2erqA:
21.16
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.
2gre DEBLOCKING
AMINOPEPTIDASE


(Bacillus cereus)
PF05343
(Peptidase_M42)
5 GLU A 236
VAL A 308
THR A 334
SER A 190
GLY A 314
None
1.35A 5xioA-2greA:
undetectable
5xioA-2greA:
20.91
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.
2hxg L-ARABINOSE
ISOMERASE


(Escherichia
coli)
PF02610
(Arabinose_Isome)
PF11762
(Arabinose_Iso_C)
5 PHE A  11
VAL A   9
THR A 126
SER A  84
GLY A 130
None
1.47A 5xioA-2hxgA:
2.5
5xioA-2hxgA:
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.
2iu4 DIHYDROXYACETONE
KINASE


(Lactococcus
lactis)
PF02733
(Dak1)
5 PHE A 288
VAL A 310
GLU A 164
THR A 323
GLY A  65
None
None
None
None
SO4  A1373 (-3.9A)
1.31A 5xioA-2iu4A:
undetectable
5xioA-2iu4A:
20.88
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.
2p4s PURINE NUCLEOSIDE
PHOSPHORYLASE


(Anopheles
gambiae)
PF01048
(PNP_UDP_1)
5 GLU A 174
PRO A 283
GLU A 286
THR A 327
GLY A 203
None
None
DIH  A 401 (-2.8A)
DIH  A 401 (-4.2A)
DIH  A 401 (-3.4A)
1.20A 5xioA-2p4sA:
2.4
5xioA-2p4sA:
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.
2qw5 XYLOSE
ISOMERASE-LIKE TIM
BARREL


(Trichormus
variabilis)
PF01261
(AP_endonuc_2)
5 PHE A 265
GLU A 219
PRO A 268
SER A   8
GLY A 275
None
1.35A 5xioA-2qw5A:
undetectable
5xioA-2qw5A:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w55 XANTHINE
DEHYDROGENASE


(Rhodobacter
capsulatus)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
5 PHE B 272
ARG B 330
TRP B 146
HIS B 404
THR B 460
None
None
None
None
HPA  B1780 (-3.6A)
1.36A 5xioA-2w55B:
undetectable
5xioA-2w55B:
19.52
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.
2yij PHOSPHOLIPASE
A1-IIGAMMA


(Arabidopsis
thaliana)
PF01764
(Lipase_3)
5 GLU A 215
VAL A 216
HIS A  49
PHE A  81
GLY A 140
None
1.34A 5xioA-2yijA:
undetectable
5xioA-2yijA:
21.26
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.
3b9y AMMONIUM TRANSPORTER
FAMILY RH-LIKE
PROTEIN


(Nitrosomonas
europaea)
PF00909
(Ammonium_transp)
5 PHE A 110
GLU A 109
VAL A 112
THR A 235
GLY A 271
UNL  A 420 (-3.6A)
None
None
None
None
1.24A 5xioA-3b9yA:
undetectable
5xioA-3b9yA:
20.75
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.
3bqy PUTATIVE TETR FAMILY
TRANSCRIPTIONAL
REGULATOR


(Streptomyces
coelicolor)
PF00440
(TetR_N)
PF02909
(TetR_C)
5 PHE A 124
VAL A 129
PHE A 111
THR A 157
GLY A 155
None
1.32A 5xioA-3bqyA:
undetectable
5xioA-3bqyA:
17.78
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.
3f44 PUTATIVE
MONOOXYGENASE


(Lactobacillus
acidophilus)
PF03992
(ABM)
5 VAL A 124
GLU A 169
HIS A 180
THR A 101
SER A 143
None
1.45A 5xioA-3f44A:
undetectable
5xioA-3f44A:
18.71
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.
3h2u RAVER-1

(Homo sapiens)
PF00076
(RRM_1)
5 PHE B 162
GLU B  52
HIS B 206
THR B 130
GLY B 211
None
1.42A 5xioA-3h2uB:
undetectable
5xioA-3h2uB:
18.20
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
ARG A 177
TRP A 194
GLU A 196
HIS A 198
GLY A 296
None
PR8  A 601 ( 4.3A)
None
PR8  A 601 (-4.5A)
PR8  A 601 ( 4.5A)
PR8  A 601 (-3.4A)
0.28A 5xioA-3ialA:
42.2
5xioA-3ialA:
32.96
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.
3ifw UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE ISOZYME L1


(Homo sapiens)
PF01088
(Peptidase_C12)
5 VAL A  75
PRO A 182
HIS A 161
PHE A 165
GLY A  94
None
1.42A 5xioA-3ifwA:
undetectable
5xioA-3ifwA:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iom PURINE NUCLEOSIDE
PHOSPHORYLASE


(Mycobacterium
tuberculosis)
PF01048
(PNP_UDP_1)
5 GLU A  93
PRO A 186
GLU A 189
THR A 230
GLY A 122
None
None
GNG  A 800 (-2.9A)
GNG  A 800 (-3.9A)
GNG  A 800 (-3.6A)
1.30A 5xioA-3iomA:
undetectable
5xioA-3iomA:
19.00
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.
3lop SUBSTRATE BINDING
PERIPLASMIC PROTEIN


(Ralstonia
solanacearum)
PF13458
(Peripla_BP_6)
5 GLU A 192
GLU A 158
THR A 113
SER A 260
GLY A 138
None
None
LEU  A 400 (-3.7A)
LEU  A 400 (-4.6A)
None
1.11A 5xioA-3lopA:
3.0
5xioA-3lopA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3muu STRUCTURAL
POLYPROTEIN


(Sindbis virus)
PF00943
(Alpha_E2_glycop)
PF01589
(Alpha_E1_glycop)
5 GLU A 327
VAL A 336
GLU A 138
HIS A 291
GLY A 136
None
1.30A 5xioA-3muuA:
undetectable
5xioA-3muuA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3org CMCLC

(Cyanidioschyzon
merolae)
PF00654
(Voltage_CLC)
5 VAL A 519
PRO A 168
GLU A 210
SER A 433
GLY A 208
None
None
None
None
CL  A 802 (-3.6A)
1.50A 5xioA-3orgA:
undetectable
5xioA-3orgA:
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.
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
1.39A 5xioA-4astA:
undetectable
5xioA-4astA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bg2 PATF

(Prochloron
didemni)
no annotation 5 GLU A 241
GLU A 180
HIS A 125
PHE A 245
GLY A 178
None
1.43A 5xioA-4bg2A:
undetectable
5xioA-4bg2A:
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.
4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC


(Escherichia
coli)
PF01520
(Amidase_3)
PF11741
(AMIN)
5 VAL A  83
TRP A  42
GLU A 199
SER A 201
GLY A 198
None
1.39A 5xioA-4binA:
4.6
5xioA-4binA:
21.41
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.
4cza NA+/H+ ANTIPORTER,
PUTATIVE


(Pyrococcus
abyssi)
PF00999
(Na_H_Exchanger)
5 VAL A 405
PRO A 361
ARG A 362
GLU A 154
GLY A  96
None
1.40A 5xioA-4czaA:
undetectable
5xioA-4czaA:
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.
4dpk MALONYL-COA/SUCCINYL
-COA REDUCTASE


(Sulfurisphaera
tokodaii)
PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC)
5 GLU A  63
GLU A  22
HIS A 334
THR A 283
GLY A 342
None
1.46A 5xioA-4dpkA:
3.8
5xioA-4dpkA:
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.
4dyj BROAD SPECIFICITY
AMINO ACID RACEMASE


(Pseudomonas
putida)
PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N)
5 PHE A 328
VAL A 334
THR A 397
SER A 402
GLY A 400
None
1.25A 5xioA-4dyjA:
undetectable
5xioA-4dyjA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4el8 GLYCOSIDE HYDROLASE
FAMILY 48


(Caldicellulosiruptor
bescii)
PF02011
(Glyco_hydro_48)
5 GLU A 425
VAL A 423
PRO A 327
TRP A 350
GLY A 262
None
1.27A 5xioA-4el8A:
undetectable
5xioA-4el8A:
21.89
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.
4h0f LAMININ-BINDING
SURFACE PROTEIN


(Streptococcus
agalactiae)
PF01297
(ZnuA)
5 GLU A 111
GLU A 281
HIS A 206
SER A 227
GLY A  64
None
ZN  A 401 (-2.2A)
ZN  A 401 (-3.4A)
None
None
1.49A 5xioA-4h0fA:
undetectable
5xioA-4h0fA:
21.16
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.
4jrf PUTATIVE CELL
ADHESION PROTEIN


(Bacteroides
ovatus)
PF15495
(Fimbrillin_C)
5 PRO A 484
GLU A 417
PHE A 434
SER A 419
GLY A 415
None
1.48A 5xioA-4jrfA:
undetectable
5xioA-4jrfA:
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.
4lgn CELLULOSE-BINDING,
FAMILY II


(Acidothermus
cellulolyticus)
no annotation 5 PHE A 144
VAL A 194
ARG A 131
PHE A 117
THR A  90
None
1.33A 5xioA-4lgnA:
undetectable
5xioA-4lgnA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lna PURINE NUCLEOSIDE
PHOSPHORYLASE


(Spirosoma
linguale)
PF01048
(PNP_UDP_1)
5 GLU A  84
PRO A 189
GLU A 192
THR A 233
GLY A 113
None
None
ADE  A 502 (-2.9A)
ADE  A 502 (-4.3A)
ADE  A 502 (-3.6A)
1.17A 5xioA-4lnaA:
2.2
5xioA-4lnaA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE


(Planctopirus
limnophila)
PF01048
(PNP_UDP_1)
5 GLU A  87
PRO A 191
GLU A 194
THR A 235
GLY A 116
None
None
ADE  A 401 (-2.7A)
ADE  A 401 (-4.3A)
ADE  A 401 (-3.7A)
1.14A 5xioA-4m1eA:
2.8
5xioA-4m1eA:
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.
4nn3 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT


(Desulfovibrio
salexigens)
PF03480
(DctP)
5 PHE A 195
PRO A 194
PHE A 222
THR A 155
GLY A 209
ORO  A 403 ( 3.8A)
CL  A 401 (-4.4A)
None
None
None
1.38A 5xioA-4nn3A:
undetectable
5xioA-4nn3A:
21.24
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.
4ns1 PURINE NUCLEOSIDE
PHOSPHORYLASE


(Porphyromonas
gingivalis)
PF01048
(PNP_UDP_1)
5 GLU A 102
PRO A 205
GLU A 208
THR A 249
GLY A 131
None
None
DA  A 301 (-2.7A)
DA  A 301 (-4.1A)
DA  A 301 (-3.4A)
1.21A 5xioA-4ns1A:
undetectable
5xioA-4ns1A:
21.08
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.
4qi7 CELLOBIOSE
DEHYDROGENASE


(Neurospora
crassa)
PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt)
5 GLU A 757
VAL A 753
PRO A 418
HIS A 268
PHE A 432
None
1.21A 5xioA-4qi7A:
undetectable
5xioA-4qi7A:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yam BETA-ETHERASE

(Sphingobium sp.
SYK-6)
PF13417
(GST_N_3)
5 PHE A 237
GLU A 209
PRO A 205
PHE A 221
GLY A 232
None
1.42A 5xioA-4yamA:
undetectable
5xioA-4yamA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ybq SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 5


(Rattus
norvegicus)
PF00083
(Sugar_tr)
5 VAL A 163
PRO A 392
THR A 451
SER A 290
GLY A 286
None
1.38A 5xioA-4ybqA:
undetectable
5xioA-4ybqA:
19.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydq PROLINE--TRNA LIGASE

(Plasmodium
falciparum)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
11 PHE A 335
GLU A 338
VAL A 339
PRO A 358
ARG A 390
GLU A 409
HIS A 411
PHE A 454
THR A 478
SER A 508
GLY A 510
HFG  A 802 (-3.4A)
MG  A 803 ( 4.1A)
HFG  A 802 (-4.1A)
HFG  A 802 (-4.2A)
ANP  A 801 ( 2.5A)
HFG  A 802 ( 4.9A)
HFG  A 802 (-4.5A)
HFG  A 802 (-3.6A)
HFG  A 802 ( 4.0A)
HFG  A 802 ( 3.8A)
HFG  A 802 (-3.7A)
0.52A 5xioA-4ydqA:
50.6
5xioA-4ydqA:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydq PROLINE--TRNA LIGASE

(Plasmodium
falciparum)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
10 PHE A 335
GLU A 338
VAL A 339
PRO A 358
ARG A 390
TRP A 407
PHE A 454
THR A 478
SER A 508
GLY A 510
HFG  A 802 (-3.4A)
MG  A 803 ( 4.1A)
HFG  A 802 (-4.1A)
HFG  A 802 (-4.2A)
ANP  A 801 ( 2.5A)
None
HFG  A 802 (-3.6A)
HFG  A 802 ( 4.0A)
HFG  A 802 ( 3.8A)
HFG  A 802 (-3.7A)
0.77A 5xioA-4ydqA:
50.6
5xioA-4ydqA:
59.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d6a PREDICTED ATPASE OF
THE ABC CLASS


(Vibrio
vulnificus)
PF09818
(ABC_ATPase)
5 VAL A 535
PRO A 530
HIS A  97
SER A  95
GLY A 525
None
1.47A 5xioA-5d6aA:
2.2
5xioA-5d6aA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.42A 5xioA-5ft3A:
undetectable
5xioA-5ft3A:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis)
PF14592
(Chondroitinas_B)
5 VAL A 431
PRO A 429
TRP A 427
PHE A  60
GLY A  78
None
1.03A 5xioA-5gkqA:
undetectable
5xioA-5gkqA:
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.
5gqt NITRILE-SPECIFIER
PROTEIN 1


(Arabidopsis
thaliana)
PF01344
(Kelch_1)
PF01419
(Jacalin)
PF13415
(Kelch_3)
5 GLU A  82
VAL A 114
GLU A  11
THR A 131
GLY A  13
None
1.42A 5xioA-5gqtA:
undetectable
5xioA-5gqtA:
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.
5t79 ALDO-KETO REDUCTASE,
OXIDOREDUCTASE


(Salmonella
enterica)
PF00248
(Aldo_ket_red)
5 VAL A 203
PRO A 194
HIS A  59
SER A  29
GLY A  31
None
None
None
None
NDP  A 404 (-3.0A)
1.42A 5xioA-5t79A:
undetectable
5xioA-5t79A:
19.65
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.
5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE


(Homo sapiens)
PF01048
(PNP_UDP_1)
5 GLU A  89
PRO A 198
GLU A 201
THR A 242
GLY A 118
None
None
IM5  A 308 (-2.9A)
IM5  A 308 (-4.3A)
IM5  A 308 (-3.7A)
1.12A 5xioA-5ugfA:
undetectable
5xioA-5ugfA:
19.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE


(Homo sapiens)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
9 GLU A1154
PRO A1120
ARG A1152
TRP A1169
GLU A1171
HIS A1173
THR A1240
SER A1272
GLY A1274
91Y  A1601 (-4.6A)
None
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.88A 5xioA-5vadA:
48.3
5xioA-5vadA:
54.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE


(Homo sapiens)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
8 GLU A1154
PRO A1120
GLU A1171
HIS A1173
PHE A1216
THR A1240
SER A1272
GLY A1274
91Y  A1601 (-4.6A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.96A 5xioA-5vadA:
48.3
5xioA-5vadA:
54.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE


(Homo sapiens)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
6 VAL A1101
PRO A1120
ARG A1152
HIS A1173
THR A1222
SER A1272
None
None
PRO  A1602 ( 3.4A)
PRO  A1602 ( 4.5A)
None
PRO  A1602 (-3.3A)
1.42A 5xioA-5vadA:
48.3
5xioA-5vadA:
54.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE


(Homo sapiens)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
9 VAL A1101
PRO A1120
ARG A1152
TRP A1169
GLU A1171
HIS A1173
THR A1240
SER A1272
GLY A1274
None
None
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.60A 5xioA-5vadA:
48.3
5xioA-5vadA:
54.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE


(Homo sapiens)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1)
8 VAL A1101
PRO A1120
GLU A1171
HIS A1173
PHE A1216
THR A1240
SER A1272
GLY A1274
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
0.79A 5xioA-5vadA:
48.3
5xioA-5vadA:
54.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5veh KYNURENINE
AMINOTRANSFERASE


(Aedes aegypti)
no annotation 5 PHE A 134
GLU A 132
PRO A 149
THR A  23
GLY A  21
None
1.49A 5xioA-5vehA:
undetectable
5xioA-5vehA:
23.59
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.
5vld HISTIDINOL
DEHYDROGENASE,
CHLOROPLASTIC


(Medicago
truncatula)
PF00815
(Histidinol_dh)
5 VAL A 167
PRO A 249
GLU A 367
HIS A 368
SER A 388
None
NAD  A 502 (-4.1A)
HIS  A 501 ( 2.7A)
HIS  A 501 (-3.9A)
None
1.28A 5xioA-5vldA:
2.4
5xioA-5vldA:
23.61
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.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)


(Toxoplasma
gondii)
no annotation 9 PHE A 415
GLU A 418
VAL A 419
PRO A 438
ARG A 470
PHE A 534
THR A 558
SER A 588
GLY A 590
86X  A1004 (-3.6A)
MG  A1003 (-4.1A)
86X  A1004 (-4.2A)
86X  A1004 (-4.3A)
ANP  A1001 ( 2.9A)
86X  A1004 (-3.6A)
86X  A1004 (-3.9A)
86X  A1004 (-3.6A)
86X  A1004 ( 4.2A)
0.65A 5xioA-5xiiA:
51.7
5xioA-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
VAL A 419
PRO A 438
ARG A 470
TRP A 487
GLU A 489
HIS A 491
PHE A 534
THR A 558
SER A 588
GLY A 590
86X  A1004 (-3.6A)
86X  A1004 (-4.2A)
86X  A1004 (-4.3A)
ANP  A1001 ( 2.9A)
None
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.6A)
86X  A1004 (-3.9A)
86X  A1004 (-3.6A)
86X  A1004 ( 4.2A)
0.40A 5xioA-5xiiA:
51.7
5xioA-5xiiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xil PUTATIVE PROLYL-TRNA
SYNTHETASE


(Leishmania
major)
no annotation 7 TRP A 407
GLU A 409
HIS A 411
PHE A 454
THR A 478
SER A 510
GLY A 512
None
0.41A 5xioA-5xilA:
46.0
5xioA-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 5 PHE A 307
GLU A 310
HIS A 383
THR A 432
SER A 480
HFG  A 801 (-3.7A)
None
HFG  A 801 ( 4.7A)
None
HFG  A 801 ( 3.8A)
1.38A 5xioA-5xioA:
60.2
5xioA-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 12 PHE A 307
GLU A 310
VAL A 311
PRO A 330
ARG A 362
TRP A 379
GLU A 381
HIS A 383
PHE A 426
THR A 450
SER A 480
GLY A 482
HFG  A 801 (-3.7A)
None
HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
ANP  A 803 ( 3.1A)
None
HFG  A 801 ( 4.9A)
HFG  A 801 ( 4.7A)
HFG  A 801 (-3.7A)
ANP  A 803 (-3.9A)
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.9A)
0.00A 5xioA-5xioA:
60.2
5xioA-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
ARG A 390
TRP A 407
GLU A 409
HIS A 411
PHE A 454
THR A 478
SER A 508
GLY A 510
MG  A1002 ( 4.3A)
HFG  A1003 ( 4.6A)
HFG  A1003 (-4.3A)
ANP  A1001 (-2.8A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
HFG  A1003 (-3.4A)
ANP  A1001 ( 3.7A)
HFG  A1003 ( 3.9A)
HFG  A1003 ( 3.9A)
0.59A 5xioA-5xipA:
51.3
5xioA-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 6 GLU A 392
ARG A 390
GLU A 409
HIS A 411
THR A 478
SER A 508
ANP  A1001 (-3.8A)
ANP  A1001 (-2.8A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
ANP  A1001 ( 3.7A)
HFG  A1003 ( 3.9A)
1.42A 5xioA-5xipA:
51.3
5xioA-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
ARG A 390
TRP A 407
GLU A 409
HIS A 411
THR A 478
SER A 508
GLY A 510
HFG  A1003 (-3.8A)
MG  A1002 ( 4.3A)
HFG  A1003 ( 4.6A)
HFG  A1003 (-4.3A)
ANP  A1001 (-2.8A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
ANP  A1001 ( 3.7A)
HFG  A1003 ( 3.9A)
HFG  A1003 ( 3.9A)
0.82A 5xioA-5xipA:
51.3
5xioA-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.
6byi BETA-MANNOSIDASE

(Xanthomonas
citri)
no annotation 5 GLU A 349
VAL A 348
PRO A 527
PHE A 572
GLY A 534
None
1.46A 5xioA-6byiA:
undetectable
5xioA-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.
6grw -

(-)
no annotation 5 PRO A 407
GLU A 290
HIS A 266
SER A 267
GLY A 292
None
1.19A 5xioA-6grwA:
2.2
5xioA-6grwA:
undetectable