SIMILAR PATTERNS OF AMINO ACIDS FOR 4K88_A_HFGA602

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
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) 		6 GLU A 144
GLU A 113
TRP A 158
GLU A 160
HIS A 230
SER A 258
 None
 1.26A 4k88A-1hc7A:
46.1		 4k88A-1hc7A:
42.31
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 PRO A 110
THR A 111
ARG A 142
TRP A 158
GLU A 160
PHE A 205
HIS A 230
 None
 0.72A 4k88A-1hc7A:
46.1		 4k88A-1hc7A:
42.31
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 PRO A 110
THR A 111
TRP A 158
GLU A 160
PHE A 205
HIS A 230
SER A 258
 None
 0.69A 4k88A-1hc7A:
46.1		 4k88A-1hc7A:
42.31
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 THR A 111
GLU A 113
TRP A 158
GLU A 160
PHE A 205
HIS A 230
SER A 258
 None
 0.95A 4k88A-1hc7A:
46.1		 4k88A-1hc7A:
42.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kfi PHOSPHOGLUCOMUTASE 1

(Paramecium
tetraurelia) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 GLU A 151
PRO A 372
THR A 373
GLU A 392
SER A 394
 None
None
SO4  A 603 ( 4.3A)
None
None
 1.47A 4k88A-1kfiA:
2.2		 4k88A-1kfiA:
21.27
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 GLU A  96
VAL A  97
PRO A 116
THR A 117
GLU A 119
ARG A 148
GLU A 168
 None
None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
None
 0.70A 4k88A-1nj1A:
42.8		 4k88A-1nj1A:
37.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 GLU A 150
PRO A 116
THR A 117
GLU A 119
GLU A 168
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
None
 0.92A 4k88A-1nj1A:
42.8		 4k88A-1nj1A:
37.52
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
THR A 117
GLU A 119
ARG A 148
GLU A 168
HIS A 237
 None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-4.4A)
 0.57A 4k88A-1nj1A:
42.8		 4k88A-1nj1A:
37.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 VAL A  97
PRO A 116
THR A 117
GLU A 168
PHE A 243
 None
None
5CA  A 512 (-3.5A)
None
None
 1.20A 4k88A-1nj1A:
42.8		 4k88A-1nj1A:
37.52
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
THR A 101
GLU A 103
GLU A 152
HIS A 221
 None
 0.73A 4k88A-1nj8A:
41.8		 4k88A-1nj8A:
36.64
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 GLU A  80
VAL A  81
PRO A 100
THR A 101
GLU A 103
PHE A 196
 None
 1.12A 4k88A-1nj8A:
41.8		 4k88A-1nj8A:
36.64
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.
1zbd RABPHILIN-3A

(Rattus
norvegicus) 		PF00071
(Ras) 		5 PHE A 110
GLU A 107
GLU A 163
GLU A 140
PHE A 161
 None
 1.46A 4k88A-1zbdA:
3.9		 4k88A-1zbdA:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.33A 4k88A-2bxyA:
undetectable		 4k88A-2bxyA:
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.
2hoe N-ACETYLGLUCOSAMINE
KINASE

(Thermotoga
maritima) 		PF00480
(ROK) 		5 GLU A  81
VAL A  82
PRO A 145
GLU A 248
GLU A 232
 None
None
GOL  A 370 (-4.4A)
GOL  A 370 ( 3.9A)
GOL  A 370 (-2.9A)
 1.09A 4k88A-2hoeA:
undetectable		 4k88A-2hoeA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 GLU A  92
PRO A 108
THR A 109
GLU A 111
ARG A 140
 None
None
5CA  A 439 (-3.6A)
5CA  A 439 (-2.6A)
5CA  A 439 (-2.8A)
 0.57A 4k88A-2i4nA:
28.1		 4k88A-2i4nA:
25.32
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.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 PRO A 108
THR A 109
GLU A 111
ARG A 140
SER A 315
 None
5CA  A 439 (-3.6A)
5CA  A 439 (-2.6A)
5CA  A 439 (-2.8A)
5CA  A 439 (-3.6A)
 0.51A 4k88A-2i4nA:
28.1		 4k88A-2i4nA:
25.32
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.
2qwv UPF0217 PROTEIN
VC_A1059

(Vibrio cholerae) 		PF04013
(Methyltrn_RNA_2) 		5 VAL A 108
THR A  70
ARG A 116
HIS A 131
SER A   7
 None
 1.33A 4k88A-2qwvA:
2.6		 4k88A-2qwvA:
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.
2wim NEURAL CELL ADHESION
MOLECULE 2

(Homo sapiens) 		PF07679
(I-set) 		5 GLU A 119
VAL A 120
THR A 116
ARG A 118
SER A  33
 None
 1.44A 4k88A-2wimA:
undetectable		 4k88A-2wimA:
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.
2wzf GLUCOSYLTRANSFERASE

(Legionella
pneumophila) 		PF16849
(Glyco_transf_88) 		5 PHE A 486
VAL A 115
PRO A 113
THR A 477
GLU A 110
 None
 1.47A 4k88A-2wzfA:
undetectable		 4k88A-2wzfA:
22.42
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.
2zr2 SERYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		5 GLU A 285
VAL A 238
PRO A 251
THR A 252
GLU A 306
 AMP  A1001 (-3.6A)
None
None
AMP  A1001 ( 4.5A)
None
 1.27A 4k88A-2zr2A:
24.0		 4k88A-2zr2A:
22.56
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.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 GLU A  32
PRO A  49
GLU A 136
TRP A 230
HIS A 111
 None
None
None
None
MG  A 901 (-3.4A)
 1.49A 4k88A-3fe4A:
undetectable		 4k88A-3fe4A:
18.42
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 PRO A 145
THR A 146
GLU A 148
ARG A 177
TRP A 194
GLU A 196
HIS A 266
 None
PR8  A 601 (-4.0A)
PR8  A 601 (-3.0A)
PR8  A 601 ( 4.3A)
None
PR8  A 601 (-4.5A)
PR8  A 601 ( 3.9A)
 0.47A 4k88A-3ialA:
42.3		 4k88A-3ialA:
32.50
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.
4efc ADENYLOSUCCINATE
LYASE

(Trypanosoma
brucei) 		PF00206
(Lyase_1)
PF08328
(ASL_C) 		5 GLU A 402
VAL A 399
PRO A 191
THR A 192
GLU A 197
 None
 1.40A 4k88A-4efcA:
undetectable		 4k88A-4efcA:
22.40
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.
4ha6 PYRIDOXINE 4-OXIDASE

(Mesorhizobium
loti) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLU A 165
VAL A 166
PRO A 198
THR A 197
HIS A 151
 None
 1.48A 4k88A-4ha6A:
undetectable		 4k88A-4ha6A:
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.
4mx2 ADENYLOSUCCINATE
LYASE

(Leishmania
donovani) 		PF00206
(Lyase_1)
PF08328
(ASL_C) 		5 GLU A 413
VAL A 410
PRO A 202
THR A 203
GLU A 208
 None
 1.33A 4k88A-4mx2A:
undetectable		 4k88A-4mx2A:
21.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydq PROLINE--TRNA LIGASE

(Plasmodium
falciparum) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		9 GLU A 392
PRO A 358
THR A 359
GLU A 361
ARG A 390
GLU A 409
PHE A 454
HIS A 480
SER A 508
 ANP  A 801 (-3.6A)
HFG  A 802 (-4.2A)
HFG  A 802 (-3.2A)
HFG  A 802 (-2.9A)
ANP  A 801 ( 2.5A)
HFG  A 802 ( 4.9A)
HFG  A 802 (-3.6A)
HFG  A 802 (-4.0A)
HFG  A 802 ( 3.8A)
 1.41A 4k88A-4ydqA:
49.1		 4k88A-4ydqA:
49.35
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
THR A 359
GLU A 361
ARG A 390
GLU A 409
PHE A 454
HIS A 480
SER A 508
 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)
HFG  A 802 (-2.9A)
ANP  A 801 ( 2.5A)
HFG  A 802 ( 4.9A)
HFG  A 802 (-3.6A)
HFG  A 802 (-4.0A)
HFG  A 802 ( 3.8A)
 0.66A 4k88A-4ydqA:
49.1		 4k88A-4ydqA:
49.35
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
THR A 359
GLU A 361
ARG A 390
TRP A 407
PHE A 454
HIS A 480
SER A 508
 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)
HFG  A 802 (-2.9A)
ANP  A 801 ( 2.5A)
None
HFG  A 802 (-3.6A)
HFG  A 802 (-4.0A)
HFG  A 802 ( 3.8A)
 0.80A 4k88A-4ydqA:
49.1		 4k88A-4ydqA:
49.35
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.
5h6s AMIDASE

(Microbacterium
sp. HM58-2) 		PF01425
(Amidase) 		5 GLU A  30
VAL A  28
PRO A  76
THR A 169
SER A 226
 None
 1.39A 4k88A-5h6sA:
undetectable		 4k88A-5h6sA:
26.42
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.
5uqc DIHYDROPYRIMIDINASE-
RELATED PROTEIN 2

(Mus musculus) 		PF01979
(Amidohydro_1) 		5 VAL A 453
THR A 101
PHE A  76
HIS A 333
SER A 331
 None
 1.37A 4k88A-5uqcA:
undetectable		 4k88A-5uqcA:
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.
5ur2 BIFUNCTIONAL PROTEIN
PUTA

(Bdellovibrio
bacteriovorus) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 PHE A 641
PRO A 638
THR A 715
GLU A 744
PHE A 941
 None
 1.37A 4k88A-5ur2A:
undetectable		 4k88A-5ur2A:
19.62
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) 		7 GLU A1154
PRO A1120
GLU A1123
GLU A1171
PHE A1216
HIS A1242
SER A1272
 91Y  A1601 (-4.6A)
None
PRO  A1602 (-2.8A)
PRO  A1602 ( 4.7A)
PRO  A1602 (-4.3A)
PRO  A1602 (-4.1A)
PRO  A1602 (-3.3A)
 1.05A 4k88A-5vadA:
51.8		 4k88A-5vadA:
96.63
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
THR A1121
GLU A1123
ARG A1152
TRP A1169
GLU A1171
HIS A1242
SER A1272
 91Y  A1601 (-4.6A)
None
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 (-4.1A)
PRO  A1602 (-3.3A)
 0.94A 4k88A-5vadA:
51.8		 4k88A-5vadA:
96.63
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) 		7 VAL A1101
PRO A1120
GLU A1123
GLU A1171
PHE A1216
HIS A1242
SER A1272
 None
None
PRO  A1602 (-2.8A)
PRO  A1602 ( 4.7A)
PRO  A1602 (-4.3A)
PRO  A1602 (-4.1A)
PRO  A1602 (-3.3A)
 0.83A 4k88A-5vadA:
51.8		 4k88A-5vadA:
96.63
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
THR A1121
GLU A1123
ARG A1152
TRP A1169
GLU A1171
HIS A1242
SER A1272
 None
None
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 (-4.1A)
PRO  A1602 (-3.3A)
 0.64A 4k88A-5vadA:
51.8		 4k88A-5vadA:
96.63
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.
5x5t ALPHA-KETOGLUTARIC
SEMIALDEHYDE
DEHYDROGENASE

(Azospirillum
brasilense) 		PF00171
(Aldedh) 		5 PHE A 156
PRO A 153
THR A 230
GLU A 253
PHE A 450
 None
 1.50A 4k88A-5x5tA:
3.0		 4k88A-5x5tA:
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.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 8 GLU A 472
THR A 439
GLU A 441
ARG A 470
GLU A 489
PHE A 534
HIS A 560
SER A 588
 ANP  A1001 (-3.4A)
86X  A1004 (-3.6A)
86X  A1004 (-3.0A)
ANP  A1001 ( 2.9A)
None
86X  A1004 (-3.6A)
86X  A1004 (-3.7A)
86X  A1004 (-3.6A)
 1.45A 4k88A-5xiiA:
49.9		 4k88A-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 12 PHE A 415
GLU A 418
VAL A 419
PRO A 438
THR A 439
GLU A 441
ARG A 470
TRP A 487
GLU A 489
PHE A 534
HIS A 560
SER A 588
 86X  A1004 (-3.6A)
MG  A1003 (-4.1A)
86X  A1004 (-4.2A)
86X  A1004 (-4.3A)
86X  A1004 (-3.6A)
86X  A1004 (-3.0A)
ANP  A1001 ( 2.9A)
None
None
86X  A1004 (-3.6A)
86X  A1004 (-3.7A)
86X  A1004 (-3.6A)
 0.63A 4k88A-5xiiA:
49.9		 4k88A-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 GLU A 361
TRP A 407
GLU A 409
PHE A 454
HIS A 480
SER A 510
 None
 0.59A 4k88A-5xilA:
46.6		 4k88A-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 8 GLU A 364
THR A 331
GLU A 333
ARG A 362
GLU A 381
PHE A 426
HIS A 452
SER A 480
 ANP  A 803 (-3.7A)
HFG  A 801 (-3.4A)
HFG  A 801 (-3.0A)
ANP  A 803 ( 3.1A)
HFG  A 801 ( 4.9A)
HFG  A 801 (-3.7A)
HFG  A 801 (-4.2A)
HFG  A 801 ( 3.8A)
 1.45A 4k88A-5xioA:
51.1		 4k88A-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
THR A 331
GLU A 333
ARG A 362
TRP A 379
GLU A 381
PHE A 426
HIS A 452
SER A 480
 HFG  A 801 (-3.7A)
None
HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
HFG  A 801 (-3.4A)
HFG  A 801 (-3.0A)
ANP  A 803 ( 3.1A)
None
HFG  A 801 ( 4.9A)
HFG  A 801 (-3.7A)
HFG  A 801 (-4.2A)
HFG  A 801 ( 3.8A)
 0.52A 4k88A-5xioA:
51.1		 4k88A-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 8 GLU A 392
THR A 359
GLU A 361
ARG A 390
GLU A 409
PHE A 454
HIS A 480
SER A 508
 ANP  A1001 (-3.8A)
HFG  A1003 (-3.9A)
HFG  A1003 (-2.9A)
ANP  A1001 (-2.8A)
HFG  A1003 ( 4.8A)
HFG  A1003 (-3.4A)
HFG  A1003 (-3.5A)
HFG  A1003 ( 3.9A)
 1.31A 4k88A-5xipA:
48.9		 4k88A-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 12 PHE A 335
GLU A 338
VAL A 339
PRO A 358
THR A 359
GLU A 361
ARG A 390
TRP A 407
GLU A 409
PHE A 454
HIS A 480
SER A 508
 HFG  A1003 (-3.8A)
MG  A1002 ( 4.3A)
HFG  A1003 ( 4.6A)
HFG  A1003 (-4.3A)
HFG  A1003 (-3.9A)
HFG  A1003 (-2.9A)
ANP  A1001 (-2.8A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 (-3.4A)
HFG  A1003 (-3.5A)
HFG  A1003 ( 3.9A)
 0.74A 4k88A-5xipA:
48.9		 4k88A-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.
5ygr DIAMINOPROPIONATE
AMMONIA LYASE

(Salmonella
enterica) 		no annotation 5 PHE A 343
PRO A  47
THR A  46
GLU A  68
GLU A 217
 None
 1.33A 4k88A-5ygrA:
undetectable		 4k88A-5ygrA:
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.
5yrp SENSORY BOX/RESPONSE
REGULATOR

(Mycolicibacterium
smegmatis) 		no annotation 5 PHE A 585
GLU A 566
VAL A 565
ARG A 530
GLU A 476
 None
None
None
None
MG  A 701 (-2.9A)
 1.13A 4k88A-5yrpA:
undetectable		 4k88A-5yrpA:
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.
6bpz PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT
1,PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT
1,MOUSE
PIEZO1,PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT
1,PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		no annotation 5 PHE A1981
VAL A2032
ARG A2035
GLU A2156
PHE A2125
 None
 1.44A 4k88A-6bpzA:
undetectable		 4k88A-6bpzA:
undetectable