SIMILAR PATTERNS OF AMINO ACIDS FOR 5XIP_B_HFGB1003_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.
1cg4 PROTEIN
(ADENYLOSUCCINATE
SYNTHETASE)

(Escherichia
coli) 		PF00709
(Adenylsucc_synt) 		5 GLU A 369
VAL A 368
PRO A 279
THR A 280
THR A 286
 None
 1.38A 5xipB-1cg4A:
undetectable		 5xipB-1cg4A:
22.81
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  90
ARG A 142
TRP A 158
THR A 228
HIS A 230
 None
 1.13A 5xipB-1hc7A:
46.5		 5xipB-1hc7A:
44.73
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
THR A 111
ARG A 142
TRP A 158
HIS A 162
PHE A 205
THR A 228
HIS A 230
 None
 0.74A 5xipB-1hc7A:
46.5		 5xipB-1hc7A:
44.73
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
ARG A 142
TRP A 158
HIS A 162
PHE A 205
HIS A 230
 None
 1.00A 5xipB-1hc7A:
46.5		 5xipB-1hc7A:
44.73
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.
1ii2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Trypanosoma
cruzi) 		PF01293
(PEPCK_ATP) 		5 GLU A 284
VAL A 282
GLU A 255
ARG A 307
HIS A 205
 None
 1.50A 5xipB-1ii2A:
undetectable		 5xipB-1ii2A:
22.49
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) 		9 GLU A  96
VAL A  97
PRO A 116
THR A 117
GLU A 119
ARG A 148
HIS A 170
THR A 235
HIS A 237
 None
None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-3.0A)
5CA  A 512 (-4.4A)
 0.80A 5xipB-1nj1A:
43.2		 5xipB-1nj1A:
34.79
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 119
ARG A 148
HIS A 170
PHE A 212
THR A 235
HIS A 237
 5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-4.4A)
 0.77A 5xipB-1nj1A:
43.2		 5xipB-1nj1A:
34.79
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
GLU A 119
ARG A 148
HIS A 170
PHE A 212
HIS A 237
 5CA  A 512 (-4.1A)
5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-4.0A)
5CA  A 512 (-4.4A)
 1.14A 5xipB-1nj1A:
43.2		 5xipB-1nj1A:
34.79
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 150
PRO A 116
THR A 117
GLU A 119
ARG A 148
HIS A 170
HIS A 237
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-4.4A)
 1.02A 5xipB-1nj1A:
43.2		 5xipB-1nj1A:
34.79
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
HIS A 170
PHE A 243
 None
None
5CA  A 512 (-3.5A)
None
None
 1.22A 5xipB-1nj1A:
43.2		 5xipB-1nj1A:
34.79
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
PRO A 100
THR A 101
GLU A 103
PHE A 196
THR A 219
HIS A 221
 None
 1.18A 5xipB-1nj8A:
41.9		 5xipB-1nj8A:
35.95
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
PHE A 196
THR A 219
HIS A 221
 None
 1.15A 5xipB-1nj8A:
41.9		 5xipB-1nj8A:
35.95
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 PRO A 100
THR A 101
GLU A 103
HIS A 154
PHE A 196
THR A 219
HIS A 221
 None
 1.06A 5xipB-1nj8A:
41.9		 5xipB-1nj8A:
35.95
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 VAL A  81
PRO A 100
THR A 101
HIS A 154
PHE A 196
THR A 219
HIS A 221
 None
 1.00A 5xipB-1nj8A:
41.9		 5xipB-1nj8A:
35.95
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 227
 None
 1.15A 5xipB-1nj8A:
41.9		 5xipB-1nj8A:
35.95
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.
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)
 0.48A 5xipB-2i4nA:
27.9		 5xipB-2i4nA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 VAL A  19
PRO A  17
THR A  16
GLU A  40
HIS A 157
 None
 1.45A 5xipB-2isqA:
undetectable		 5xipB-2isqA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vad RED FLUORESCENT
PROTEIN

(Discosoma sp.) 		PF01353
(GFP) 		5 PHE A 124
VAL A 122
HIS A 163
PHE A  99
THR A 140
 None
None
CRQ  A  66 ( 3.9A)
None
None
 1.33A 5xipB-2vadA:
undetectable		 5xipB-2vadA:
17.47
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)
 1.39A 5xipB-2w55B:
undetectable		 5xipB-2w55B:
20.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ial PROLYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		8 GLU A 125
PRO A 145
THR A 146
GLU A 148
ARG A 177
TRP A 194
HIS A 198
HIS A 266
 None
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)
 0.55A 5xipB-3ialA:
42.6		 5xipB-3ialA:
32.58
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 GLU A 148
ARG A 177
HIS A 198
PHE A 241
HIS A 266
 PR8  A 601 (-3.0A)
PR8  A 601 ( 4.3A)
PR8  A 601 ( 4.5A)
PR8  A 601 ( 4.1A)
PR8  A 601 ( 3.9A)
 0.86A 5xipB-3ialA:
42.6		 5xipB-3ialA:
32.58
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.
3lzx FERREDOXIN--NADP
REDUCTASE 2

(Bacillus
subtilis) 		PF07992
(Pyr_redox_2) 		5 GLU A 228
VAL A 229
PRO A 209
THR A 208
HIS A 200
 None
 1.36A 5xipB-3lzxA:
undetectable		 5xipB-3lzxA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q6t 43.2 KDA SALIVARY
PROTEIN

(Lutzomyia
longipalpis) 		PF03022
(MRJP) 		5 VAL A 148
PRO A 151
THR A 152
GLU A 109
THR A  29
 None
 1.02A 5xipB-3q6tA:
undetectable		 5xipB-3q6tA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q6t 43.2 KDA SALIVARY
PROTEIN

(Lutzomyia
longipalpis) 		PF03022
(MRJP) 		5 VAL A 148
PRO A 151
THR A 152
GLU A 109
THR A  54
 None
 1.38A 5xipB-3q6tA:
undetectable		 5xipB-3q6tA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I

(Burkholderia
lata) 		PF00117
(GATase)
PF00425
(Chorismate_bind) 		5 PRO A 303
THR A 304
GLU A 201
THR A 219
HIS A 279
 None
BEZ  A 701 (-4.7A)
BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.0A)
BEZ  A 701 (-3.8A)
 1.47A 5xipB-3r75A:
undetectable		 5xipB-3r75A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bgq CYCLIN-DEPENDENT
KINASE-LIKE 5

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A  73
GLU A  77
PHE A  13
THR A  35
HIS A  32
 None
 1.48A 5xipB-4bgqA:
undetectable		 5xipB-4bgqA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4upk PHOSPHONATE
MONOESTER HYDROLASE

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		5 PHE A   9
VAL A 315
THR A 209
PHE A 128
THR A 104
 None
 1.46A 5xipB-4upkA:
undetectable		 5xipB-4upkA:
20.45
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.
4wa8 FLAP ENDONUCLEASE 1

(Methanopyrus
kandleri) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 PHE A 309
GLU A 313
VAL A 311
THR A  55
ARG A 314
 None
 1.50A 5xipB-4wa8A:
undetectable		 5xipB-4wa8A:
21.09
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) 		7 GLU A 392
THR A 359
ARG A 390
HIS A 411
PHE A 454
THR A 478
HIS A 480
 ANP  A 801 (-3.6A)
HFG  A 802 (-3.2A)
ANP  A 801 ( 2.5A)
HFG  A 802 (-4.5A)
HFG  A 802 (-3.6A)
HFG  A 802 ( 4.0A)
HFG  A 802 (-4.0A)
 1.23A 5xipB-4ydqA:
51.6		 5xipB-4ydqA:
63.86
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
GLU A 361
ARG A 390
TRP A 407
HIS A 411
PHE A 454
THR A 478
HIS A 480
 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 (-4.5A)
HFG  A 802 (-3.6A)
HFG  A 802 ( 4.0A)
HFG  A 802 (-4.0A)
 0.71A 5xipB-4ydqA:
51.6		 5xipB-4ydqA:
63.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jfm ALDEHYDE
DEHYDROGENASE

(Rhodopseudomonas
palustris) 		PF00171
(Aldedh) 		5 GLU A 202
VAL A 205
THR A 492
THR A 450
HIS A 449
 None
 1.40A 5xipB-5jfmA:
undetectable		 5xipB-5jfmA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 5 GLU B 693
VAL B 695
THR B 657
GLU B 650
HIS B 805
 None
 1.34A 5xipB-5nd1B:
undetectable		 5xipB-5nd1B:
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.
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
 1.43A 5xipB-5ur2A:
undetectable		 5xipB-5ur2A:
19.16
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 A1100
VAL A1101
PRO A1120
THR A1121
GLU A1123
ARG A1152
TRP A1169
HIS A1173
THR A1240
 None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
 0.67A 5xipB-5vadA:
48.9		 5xipB-5vadA:
55.94
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 A1100
VAL A1101
PRO A1120
THR A1121
GLU A1123
HIS A1173
THR A1222
 None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
PRO  A1602 ( 4.5A)
None
 1.10A 5xipB-5vadA:
48.9		 5xipB-5vadA:
55.94
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
THR A1121
ARG A1152
TRP A1169
HIS A1173
THR A1240
HIS A1242
 91Y  A1601 (-4.6A)
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
 0.91A 5xipB-5vadA:
48.9		 5xipB-5vadA:
55.94
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 GLU A1154
TRP A1169
HIS A1173
PHE A1216
THR A1240
HIS A1242
 91Y  A1601 (-4.6A)
None
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
 0.91A 5xipB-5vadA:
48.9		 5xipB-5vadA:
55.94
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 PRO A1120
GLU A1123
TRP A1169
HIS A1173
PHE A1216
THR A1240
HIS A1242
 None
PRO  A1602 (-2.8A)
None
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
 0.64A 5xipB-5vadA:
48.9		 5xipB-5vadA:
55.94
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
HIS A1173
THR A1240
HIS A1242
 None
None
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
 0.58A 5xipB-5vadA:
48.9		 5xipB-5vadA:
55.94
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 VAL A1101
PRO A1120
THR A1121
HIS A1173
PHE A1248
 None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 4.5A)
None
 1.24A 5xipB-5vadA:
48.9		 5xipB-5vadA:
55.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 8 GLU A 472
THR A 439
ARG A 470
TRP A 487
HIS A 491
PHE A 534
THR A 558
HIS A 560
 ANP  A1001 (-3.4A)
86X  A1004 (-3.6A)
ANP  A1001 ( 2.9A)
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.6A)
86X  A1004 (-3.9A)
86X  A1004 (-3.7A)
 1.23A 5xipB-5xiiA:
52.7		 5xipB-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
HIS A 491
PHE A 534
THR A 558
HIS A 560
 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
86X  A1004 ( 4.8A)
86X  A1004 (-3.6A)
86X  A1004 (-3.9A)
86X  A1004 (-3.7A)
 0.52A 5xipB-5xiiA:
52.7		 5xipB-5xiiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xil PUTATIVE PROLYL-TRNA
SYNTHETASE

(Leishmania
major) 		no annotation 5 GLU A 361
TRP A 407
HIS A 411
PHE A 454
HIS A 480
 None
 0.67A 5xipB-5xilA:
46.8		 5xipB-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.
5xil PUTATIVE PROLYL-TRNA
SYNTHETASE

(Leishmania
major) 		no annotation 5 TRP A 407
HIS A 411
PHE A 454
THR A 478
HIS A 480
 None
 0.45A 5xipB-5xilA:
46.8		 5xipB-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
GLU A 333
ARG A 362
HIS A 383
PHE A 426
THR A 450
HIS A 452
 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)
HFG  A 801 ( 4.7A)
HFG  A 801 (-3.7A)
ANP  A 803 (-3.9A)
HFG  A 801 (-4.2A)
 0.61A 5xipB-5xioA:
50.9		 5xipB-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 6 GLU A 364
ARG A 362
TRP A 379
HIS A 383
THR A 450
HIS A 452
 ANP  A 803 (-3.7A)
ANP  A 803 ( 3.1A)
None
HFG  A 801 ( 4.7A)
ANP  A 803 (-3.9A)
HFG  A 801 (-4.2A)
 1.37A 5xipB-5xioA:
50.9		 5xipB-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 10 PHE A 307
GLU A 310
VAL A 311
PRO A 330
THR A 331
GLU A 333
ARG A 362
HIS A 383
THR A 450
HIS A 452
 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)
HFG  A 801 ( 4.7A)
ANP  A 803 (-3.9A)
HFG  A 801 (-4.2A)
 0.75A 5xipB-5xioA:
50.9		 5xipB-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 10 PHE A 307
VAL A 311
PRO A 330
THR A 331
GLU A 333
ARG A 362
TRP A 379
HIS A 383
THR A 450
HIS A 452
 HFG  A 801 (-3.7A)
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 ( 4.7A)
ANP  A 803 (-3.9A)
HFG  A 801 (-4.2A)
 0.60A 5xipB-5xioA:
50.9		 5xipB-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 10 VAL A 311
PRO A 330
THR A 331
GLU A 333
ARG A 362
TRP A 379
HIS A 383
PHE A 426
THR A 450
HIS A 452
 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 ( 4.7A)
HFG  A 801 (-3.7A)
ANP  A 803 (-3.9A)
HFG  A 801 (-4.2A)
 0.42A 5xipB-5xioA:
50.9		 5xipB-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 5 VAL A 311
PRO A 330
THR A 331
HIS A 383
PHE A 458
 HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
HFG  A 801 (-3.4A)
HFG  A 801 ( 4.7A)
None
 1.28A 5xipB-5xioA:
50.9		 5xipB-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 7 GLU A 392
THR A 359
ARG A 390
TRP A 407
HIS A 411
THR A 478
HIS A 480
 ANP  A1001 (-3.8A)
HFG  A1003 (-3.9A)
ANP  A1001 (-2.8A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.7A)
ANP  A1001 ( 3.7A)
HFG  A1003 (-3.5A)
 1.15A 5xipB-5xipA:
56.8		 5xipB-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
HIS A 411
PHE A 454
THR A 478
HIS A 480
 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 ( 4.7A)
HFG  A1003 (-3.4A)
ANP  A1001 ( 3.7A)
HFG  A1003 (-3.5A)
 0.36A 5xipB-5xipA:
56.8		 5xipB-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 VAL A 339
PRO A 358
THR A 359
GLU A 361
HIS A 411
PHE A 486
 HFG  A1003 ( 4.6A)
HFG  A1003 (-4.3A)
HFG  A1003 (-3.9A)
HFG  A1003 (-2.9A)
HFG  A1003 ( 4.7A)
None
 1.47A 5xipB-5xipA:
56.8		 5xipB-5xipA:
undetectable