SIMILAR PATTERNS OF AMINO ACIDS FOR 5XIQ_C_HFGC1002

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
 1.26A 5xiqC-1cg4A:
undetectable		 5xiqC-1cg4A:
23.16
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
THR A 228
SER A 258
 None
 0.85A 5xiqC-1hc7A:
24.6		 5xiqC-1hc7A:
43.70
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
GLU A 168
HIS A 170
PHE A 212
THR A 235
 None
None
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
 1.04A 5xiqC-1nj1A:
44.4		 5xiqC-1nj1A:
36.42
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
THR A 235
 None
None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
None
5CA  A 512 (-3.0A)
 0.66A 5xiqC-1nj1A:
44.4		 5xiqC-1nj1A:
36.42
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  96
VAL A  97
PRO A 116
THR A 117
THR A 218
 None
None
None
5CA  A 512 (-3.5A)
None
 0.92A 5xiqC-1nj1A:
44.4		 5xiqC-1nj1A:
36.42
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
 0.85A 5xiqC-1nj1A:
44.4		 5xiqC-1nj1A:
36.42
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
 1.21A 5xiqC-1nj1A:
44.4		 5xiqC-1nj1A:
36.42
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
ARG A 132
PHE A 196
THR A 219
 None
 1.47A 5xiqC-1nj8A:
42.6		 5xiqC-1nj8A:
36.90
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
PHE A 196
THR A 219
 None
 1.17A 5xiqC-1nj8A:
42.6		 5xiqC-1nj8A:
36.90
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
 1.13A 5xiqC-1nj8A:
42.6		 5xiqC-1nj8A:
36.90
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
THR A 219
 None
 0.59A 5xiqC-1nj8A:
42.6		 5xiqC-1nj8A:
36.90
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
HIS A 154
PHE A 196
THR A 219
 None
 1.02A 5xiqC-1nj8A:
42.6		 5xiqC-1nj8A:
36.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tg5 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Arabidopsis
thaliana) 		PF00903
(Glyoxalase) 		5 VAL A  39
THR A  79
PHE A 185
THR A  59
SER A  98
 None
 1.37A 5xiqC-1tg5A:
undetectable		 5xiqC-1tg5A:
23.73
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.
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
 1.49A 5xiqC-1twdA:
undetectable		 5xiqC-1twdA:
18.24
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.
2d3a GLUTAMINE SYNTHETASE

(Zea mays) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 GLU A 122
VAL A 119
PRO A 124
PHE A 329
THR A 321
 None
 1.10A 5xiqC-2d3aA:
undetectable		 5xiqC-2d3aA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f57 SERINE/THREONINE-PRO
TEIN KINASE PAK 7

(Homo sapiens) 		PF00069
(Pkinase) 		5 PRO A 607
THR A 606
TRP A 609
THR A 532
SER A 573
 None
TRS  A 802 ( 4.9A)
None
None
TRS  A 802 ( 4.9A)
 1.16A 5xiqC-2f57A:
undetectable		 5xiqC-2f57A:
22.38
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.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 GLU A  92
PRO A 108
THR A 109
ARG A 140
SER A 315
 None
None
5CA  A 439 (-3.6A)
5CA  A 439 (-2.8A)
5CA  A 439 (-3.6A)
 0.41A 5xiqC-2i4nA:
28.5		 5xiqC-2i4nA:
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 PRO A 511
THR A 282
GLU A 237
HIS A 235
THR A 226
 None
 1.46A 5xiqC-2oipA:
2.4		 5xiqC-2oipA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 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)
 1.41A 5xiqC-2w55B:
undetectable		 5xiqC-2w55B:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g7t ENVELOPE PROTEIN

(Dengue virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		5 PHE A 337
PRO A 356
THR A 353
GLU A  26
HIS A  27
 None
 1.29A 5xiqC-3g7tA:
undetectable		 5xiqC-3g7tA:
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.
3g7t ENVELOPE PROTEIN

(Dengue virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		5 PHE A 337
PRO A 356
THR A 353
GLU A  26
HIS A 282
 None
 1.49A 5xiqC-3g7tA:
undetectable		 5xiqC-3g7tA:
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA

(Moorella
thermoacetica) 		PF03063
(Prismane) 		5 GLU A 611
VAL A 610
PRO A 608
THR A 606
SER A 480
 None
 1.42A 5xiqC-3i04A:
4.8		 5xiqC-3i04A:
21.29
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
TRP A 194
GLU A 196
HIS A 198
 None
None
PR8  A 601 (-4.0A)
PR8  A 601 ( 4.3A)
None
PR8  A 601 (-4.5A)
PR8  A 601 ( 4.5A)
 0.43A 5xiqC-3ialA:
43.5		 5xiqC-3ialA:
32.96
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
 1.34A 5xiqC-3ialA:
43.5		 5xiqC-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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M

(Escherichia
coli;
Escherichia
coli) 		no annotation
no annotation 		5 PHE L 171
VAL L 176
GLU M 407
HIS M 322
THR M 401
 None
 1.12A 5xiqC-3rkoL:
undetectable		 5xiqC-3rkoL:
20.62
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.
3waj TRANSMEMBRANE
OLIGOSACCHARYL
TRANSFERASE

(Archaeoglobus
fulgidus) 		PF02516
(STT3) 		5 PHE A 807
ARG A 805
GLU A 615
PHE A 774
SER A 610
 None
 1.50A 5xiqC-3wajA:
undetectable		 5xiqC-3wajA:
19.47
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.
4fie SERINE/THREONINE-PRO
TEIN KINASE PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00786
(PBD) 		5 PRO A 479
THR A 478
TRP A 481
THR A 404
SER A 445
 None
 1.34A 5xiqC-4fieA:
undetectable		 5xiqC-4fieA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4is4 GLUTAMINE SYNTHETASE

(Medicago
truncatula) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 GLU A 122
VAL A 119
PRO A 124
PHE A 329
THR A 321
 None
 1.35A 5xiqC-4is4A:
undetectable		 5xiqC-4is4A:
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.
4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6

(Homo sapiens) 		PF00069
(Pkinase) 		5 PRO A 565
THR A 564
TRP A 567
THR A 490
SER A 531
 None
 1.28A 5xiqC-4ks8A:
undetectable		 5xiqC-4ks8A:
21.74
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.
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
 1.38A 5xiqC-4lgnA:
undetectable		 5xiqC-4lgnA:
19.60
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.
4pk1 CHIMERA PROTEIN OF
OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTORS BAMA AND
BAMB

(Escherichia
coli) 		PF07244
(POTRA)
PF13360
(PQQ_2) 		5 VAL A1258
PRO A1251
THR A1250
THR A1116
SER A1153
 None
 1.28A 5xiqC-4pk1A:
undetectable		 5xiqC-4pk1A:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xbr PROTEIN
FAM212A,SERINE/THREO
NINE-PROTEIN KINASE
PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF15342
(FAM212) 		5 PRO A 479
THR A 478
TRP A 481
THR A 404
SER A 445
 None
None
None
None
MG  A 603 ( 4.0A)
 1.24A 5xiqC-4xbrA:
undetectable		 5xiqC-4xbrA:
22.20
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) 		8 GLU A 392
THR A 359
ARG A 390
GLU A 409
HIS A 411
PHE A 454
THR A 478
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 ( 4.0A)
HFG  A 802 ( 3.8A)
 1.31A 5xiqC-4ydqA:
52.5		 5xiqC-4ydqA:
65.81
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
ARG A 390
GLU A 409
HIS A 411
PHE A 454
THR A 478
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)
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)
 0.29A 5xiqC-4ydqA:
52.5		 5xiqC-4ydqA:
65.81
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
THR A 359
ARG A 390
TRP A 407
PHE A 454
THR A 478
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)
ANP  A 801 ( 2.5A)
None
HFG  A 802 (-3.6A)
HFG  A 802 ( 4.0A)
HFG  A 802 ( 3.8A)
 0.66A 5xiqC-4ydqA:
52.5		 5xiqC-4ydqA:
65.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ce8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Thermoproteus
uzoniensis) 		PF01063
(Aminotran_4) 		5 GLU A 184
VAL A 182
PRO A 201
THR A 200
THR A 215
 PLP  A 301 (-2.7A)
None
None
None
None
 1.44A 5xiqC-5ce8A:
undetectable		 5xiqC-5ce8A:
20.60
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 PHE A1266
GLU A1334
VAL A1335
THR A1207
GLU A1197
 None
 1.48A 5xiqC-5dotA:
3.2		 5xiqC-5dotA:
16.60
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
ARG A1152
THR A1222
SER A1272
 None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 (-3.3A)
 1.41A 5xiqC-5vadA:
49.7		 5xiqC-5vadA:
55.43
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) 		10 GLU A1100
VAL A1101
PRO A1120
THR A1121
ARG A1152
TRP A1169
GLU A1171
HIS A1173
THR A1240
SER A1272
 None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
 0.77A 5xiqC-5vadA:
49.7		 5xiqC-5vadA:
55.43
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) 		10 GLU A1100
VAL A1101
PRO A1120
THR A1121
TRP A1169
GLU A1171
HIS A1173
PHE A1216
THR A1240
SER A1272
 None
None
None
PRO  A1602 (-3.5A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
 0.88A 5xiqC-5vadA:
49.7		 5xiqC-5vadA:
55.43
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.
5vef SERINE/THREONINE-PRO
TEIN KINASE PAK 4

(Homo sapiens) 		no annotation 5 PRO A 479
THR A 478
TRP A 481
THR A 404
SER A 445
 None
None
None
ACT  A 602 (-3.3A)
None
 1.22A 5xiqC-5vefA:
undetectable		 5xiqC-5vefA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.22A 5xiqC-5vldA:
2.6		 5xiqC-5vldA:
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.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 7 GLU A 472
THR A 439
ARG A 470
GLU A 489
HIS A 491
THR A 558
SER A 588
 ANP  A1001 (-3.4A)
86X  A1004 (-3.6A)
ANP  A1001 ( 2.9A)
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.9A)
86X  A1004 (-3.6A)
 1.34A 5xiqC-5xiiA:
55.6		 5xiqC-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
ARG A 470
TRP A 487
GLU A 489
HIS A 491
PHE A 534
THR A 558
SER A 588
 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
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.6A)
86X  A1004 (-3.9A)
86X  A1004 (-3.6A)
 0.22A 5xiqC-5xiiA:
55.6		 5xiqC-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
THR A 478
SER A 510
 None
 0.50A 5xiqC-5xilA:
47.0		 5xiqC-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 7 GLU A 364
ARG A 362
TRP A 379
GLU A 381
HIS A 383
THR A 450
SER A 480
 ANP  A 803 (-3.7A)
ANP  A 803 ( 3.1A)
None
HFG  A 801 ( 4.9A)
HFG  A 801 ( 4.7A)
ANP  A 803 (-3.9A)
HFG  A 801 ( 3.8A)
 1.42A 5xiqC-5xioA:
51.3		 5xiqC-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 9 PHE A 307
GLU A 310
VAL A 311
PRO A 330
ARG A 362
TRP A 379
GLU A 381
PHE A 426
THR A 450
 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 (-3.7A)
ANP  A 803 (-3.9A)
 0.59A 5xiqC-5xioA:
51.3		 5xiqC-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
VAL A 311
PRO A 330
THR A 331
ARG A 362
TRP A 379
GLU A 381
HIS A 383
PHE A 426
THR A 450
SER A 480
 HFG  A 801 (-3.7A)
HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
HFG  A 801 (-3.4A)
ANP  A 803 ( 3.1A)
None
HFG  A 801 ( 4.9A)
HFG  A 801 ( 4.7A)
HFG  A 801 (-3.7A)
ANP  A 803 (-3.9A)
HFG  A 801 ( 3.8A)
 0.39A 5xiqC-5xioA:
51.3		 5xiqC-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
ARG A 390
TRP A 407
GLU A 409
HIS A 411
THR A 478
SER A 508
 ANP  A1001 (-3.8A)
ANP  A1001 (-2.8A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
ANP  A1001 ( 3.7A)
HFG  A1003 ( 3.9A)
 1.27A 5xiqC-5xipA:
52.4		 5xiqC-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
ARG A 390
TRP A 407
GLU A 409
HIS A 411
PHE A 454
THR A 478
SER A 508
 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 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
HFG  A1003 (-3.4A)
ANP  A1001 ( 3.7A)
HFG  A1003 ( 3.9A)
 0.56A 5xiqC-5xipA:
52.4		 5xiqC-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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 5 GLU A 735
ARG A 616
TRP A 421
THR A 513
SER A1280
 None
 1.41A 5xiqC-6fikA:
undetectable		 5xiqC-6fikA:
undetectable