SIMILAR PATTERNS OF AMINO ACIDS FOR 5XIQ_B_HFGB1002_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.
1dbv GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 LEU O 267
PHE O 157
VAL O 160
THR O 208
SER O 148
 None
None
None
SO4  O 339 (-4.1A)
SO4  O 339 (-2.9A)
 1.19A 5xiqB-1dbvO:
4.8		 5xiqB-1dbvO:
21.27
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.
1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Escherichia
coli) 		PF02350
(Epimerase_2) 		5 LEU A 324
GLU A 315
VAL A 317
ARG A 313
HIS A 213
 None
 1.13A 5xiqB-1f6dA:
3.8		 5xiqB-1f6dA:
22.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hc7 PROLYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 GLU A 144
TRP A 158
GLU A 160
THR A 228
SER A 258
 None
 1.11A 5xiqB-1hc7A:
47.3		 5xiqB-1hc7A:
43.70
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 LEU A  77
PRO A 110
ARG A 142
TRP A 158
GLU A 160
HIS A 162
PHE A 205
THR A 228
SER A 258
 None
 0.81A 5xiqB-1hc7A:
47.3		 5xiqB-1hc7A:
43.70
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 LEU A  91
GLU A 144
TRP A 158
GLU A 160
THR A 228
 None
 1.14A 5xiqB-1hc7A:
47.3		 5xiqB-1hc7A:
43.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jn0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
A

(Spinacia
oleracea) 		no annotation 5 LEU O 267
PHE O 157
VAL O 160
THR O 208
SER O 148
 None
None
None
SO4  O6337 (-3.4A)
SO4  O6337 (-3.5A)
 1.12A 5xiqB-1jn0O:
5.1		 5xiqB-1jn0O:
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.
1lgy TRIACYLGLYCEROL
LIPASE

(Rhizopus niveus) 		PF01764
(Lipase_3) 		5 LEU A 152
GLU A 190
VAL A 189
PRO A 219
SER A 245
 None
 1.27A 5xiqB-1lgyA:
undetectable		 5xiqB-1lgyA:
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.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox) 		5 LEU B 332
VAL B 359
GLU B 156
PHE B 265
THR B 277
 None
 1.48A 5xiqB-1mtyB:
undetectable		 5xiqB-1mtyB:
21.29
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
ARG A 148
GLU A 168
HIS A 170
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-2.9A)
None
None
 0.84A 5xiqB-1nj1A:
44.1		 5xiqB-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 LEU A  83
GLU A  96
VAL A  97
PRO A 116
ARG A 148
GLU A 168
HIS A 170
THR A 235
 None
None
None
None
5CA  A 512 (-2.9A)
None
None
5CA  A 512 (-3.0A)
 0.68A 5xiqB-1nj1A:
44.1		 5xiqB-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 LEU A  83
GLU A  96
VAL A  97
PRO A 116
THR A 218
 None
 0.82A 5xiqB-1nj1A:
44.1		 5xiqB-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 LEU A  83
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)
 0.83A 5xiqB-1nj1A:
44.1		 5xiqB-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 VAL A  97
PRO A 116
GLU A 168
HIS A 170
PHE A 243
 None
 1.27A 5xiqB-1nj1A:
44.1		 5xiqB-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) 		6 LEU A  67
GLU A  80
VAL A  81
PRO A 100
PHE A 196
THR A 219
 None
 1.13A 5xiqB-1nj8A:
42.3		 5xiqB-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 LEU A  67
VAL A  81
PRO A 100
GLU A 152
HIS A 154
THR A 219
 None
 0.51A 5xiqB-1nj8A:
42.3		 5xiqB-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 LEU A  67
VAL A  81
PRO A 100
HIS A 154
PHE A 196
THR A 219
 None
 0.98A 5xiqB-1nj8A:
42.3		 5xiqB-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 VAL A  81
PRO A 100
GLU A 152
HIS A 154
PHE A 227
 None
 1.23A 5xiqB-1nj8A:
42.3		 5xiqB-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.
1o2d ALCOHOL
DEHYDROGENASE,
IRON-CONTAINING

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 LEU A  49
GLU A 133
VAL A  91
PHE A 237
THR A 186
 None
None
None
None
NAP  A1800 (-4.7A)
 1.44A 5xiqB-1o2dA:
undetectable		 5xiqB-1o2dA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qf6 THREONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD) 		5 GLU A 365
PRO A 331
ARG A 363
HIS A 385
THR A 482
 AMP  A1002 (-3.7A)
A  B  76 ( 4.4A)
AMP  A1002 (-2.7A)
ZN  A1001 (-3.3A)
AMP  A1002 (-3.9A)
 1.50A 5xiqB-1qf6A:
14.8		 5xiqB-1qf6A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1srq GTPASE-ACTIVATING
PROTEIN 1

(Homo sapiens) 		PF02145
(Rap_GAP) 		5 LEU A 365
VAL A 334
PHE A 220
THR A 213
SER A 269
 None
 1.31A 5xiqB-1srqA:
3.7		 5xiqB-1srqA:
22.54
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.
1vb3 THREONINE SYNTHASE

(Escherichia
coli) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		5 LEU A 394
PHE A 382
VAL A 386
GLU A  97
HIS A 100
 None
 1.31A 5xiqB-1vb3A:
undetectable		 5xiqB-1vb3A:
21.91
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.
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
 1.13A 5xiqB-2d3aA:
undetectable		 5xiqB-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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 180
GLU A 483
VAL A 481
TRP A 572
HIS A 576
 None
 1.25A 5xiqB-2fjaA:
undetectable		 5xiqB-2fjaA:
23.92
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.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 LEU A 105
GLU A  92
PRO A 108
ARG A 140
SER A 315
 None
None
None
5CA  A 439 (-2.8A)
5CA  A 439 (-3.6A)
 1.19A 5xiqB-2i4nA:
28.3		 5xiqB-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.
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)
 1.43A 5xiqB-2w55B:
undetectable		 5xiqB-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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Prochlorococcus
marinus) 		PF00148
(Oxidored_nitro) 		5 LEU C 238
GLU C 297
PRO C 215
GLU C 145
THR C  20
 None
None
None
None
PMR  C1414 (-3.9A)
 1.45A 5xiqB-2ynmC:
2.9		 5xiqB-2ynmC:
21.98
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 LEU A 112
GLU A 125
PRO A 145
ARG A 177
TRP A 194
GLU A 196
HIS A 198
 None
None
None
PR8  A 601 ( 4.3A)
None
PR8  A 601 (-4.5A)
PR8  A 601 ( 4.5A)
 0.50A 5xiqB-3ialA:
19.1		 5xiqB-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.
3k2b GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
A, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 LEU A 267
PHE A 157
VAL A 160
THR A 208
SER A 148
 None
None
None
SO4  A 337 (-3.4A)
SO4  A 337 (-3.1A)
 1.14A 5xiqB-3k2bA:
2.2		 5xiqB-3k2bA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kio RIBONUCLEASE H2
SUBUNIT A
RIBONUCLEASE H2
SUBUNIT C

(Mus musculus;
Mus musculus) 		PF01351
(RNase_HII)
PF08615
(RNase_H2_suC) 		5 LEU A 221
PHE A 237
VAL A  41
GLU A 198
PHE C  47
 None
 1.17A 5xiqB-3kioA:
undetectable		 5xiqB-3kioA:
19.32
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.
3kum DIPEPTIDE EPIMERASE

(Enterococcus
faecalis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  63
GLU A  35
VAL A   8
ARG A   9
THR A 327
 None
 1.48A 5xiqB-3kumA:
undetectable		 5xiqB-3kumA:
20.82
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.
3lxq UNCHARACTERIZED
PROTEIN VP1736

(Vibrio
parahaemolyticus) 		PF00884
(Sulfatase) 		5 LEU A 443
GLU A 337
VAL A 339
GLU A 293
HIS A 450
 None
 1.41A 5xiqB-3lxqA:
undetectable		 5xiqB-3lxqA:
22.28
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
 1.08A 5xiqB-3rkoL:
undetectable		 5xiqB-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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M

(Escherichia
coli;
Escherichia
coli) 		no annotation
no annotation 		5 VAL L 172
ARG L 175
GLU M 407
HIS M 322
THR M 401
 LFA  L 614 ( 4.8A)
None
None
None
None
 1.36A 5xiqB-3rkoL:
undetectable		 5xiqB-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.
4beq ALANINE RACEMASE 2

(Vibrio cholerae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 LEU A 117
GLU A 110
VAL A 108
ARG A 106
GLU A 127
 None
 1.27A 5xiqB-4beqA:
undetectable		 5xiqB-4beqA:
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.
4c0j MITOCHONDRIAL RHO
GTPASE

(Drosophila
melanogaster) 		PF00071
(Ras)
PF08355
(EF_assoc_1)
PF08356
(EF_assoc_2) 		5 LEU A 235
VAL A 272
HIS A 418
PHE A 300
THR A 361
 None
 1.42A 5xiqB-4c0jA:
2.1		 5xiqB-4c0jA:
20.16
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.
4eo4 THREONINE--TRNA
LIGASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 GLU A 164
PRO A 130
ARG A 162
HIS A 184
THR A 290
 SSA  A1001 (-4.1A)
None
SSA  A1001 (-2.8A)
ZN  A1003 (-3.6A)
SSA  A1001 ( 4.3A)
 1.34A 5xiqB-4eo4A:
26.8		 5xiqB-4eo4A:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gs4 ALPHA-TUBULIN
N-ACETYLTRANSFERASE

(Homo sapiens) 		PF05301
(Acetyltransf_16) 		5 LEU A 164
VAL A 184
PRO A 159
THR A  65
SER A  54
 None
 1.34A 5xiqB-4gs4A:
undetectable		 5xiqB-4gs4A:
17.72
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.
4h2x AMINO
ACID--[ACYL-CARRIER-
PROTEIN] LIGASE 1

(Agrobacterium
fabrum;
Bradyrhizobium
diazoefficiens) 		no annotation 5 LEU B  76
PHE B  85
PRO B 128
ARG B 159
GLU B 176
 None
None
None
G5A  B 402 (-2.8A)
ZN  B 401 ( 2.3A)
 0.87A 5xiqB-4h2xB:
10.1		 5xiqB-4h2xB:
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.
4if5 ALPHA-TUBULIN
N-ACETYLTRANSFERASE

(Homo sapiens) 		PF05301
(Acetyltransf_16) 		5 LEU A 164
VAL A 184
PRO A 159
THR A  65
SER A  54
 None
None
None
CL  A 202 (-4.0A)
None
 1.30A 5xiqB-4if5A:
undetectable		 5xiqB-4if5A:
17.48
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.
4kvn HUMAN IGG HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU H  86
VAL H  12
PRO H  18
THR H  78
SER H  71
 None
 1.39A 5xiqB-4kvnH:
undetectable		 5xiqB-4kvnH:
17.00
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.
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
 1.29A 5xiqB-4lgnA:
undetectable		 5xiqB-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.
4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Vibrio cholerae) 		PF01546
(Peptidase_M20) 		5 LEU A 250
GLU A 243
VAL A 245
PRO A 233
THR A 215
 None
None
None
None
EDO  A 311 ( 4.9A)
 1.06A 5xiqB-4op4A:
undetectable		 5xiqB-4op4A:
18.65
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
ARG A 390
GLU A 409
HIS A 411
PHE A 454
THR A 478
SER A 508
 ANP  A 801 (-3.6A)
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)
 1.24A 5xiqB-4ydqA:
52.6		 5xiqB-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 LEU A 325
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
 None
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)
 0.34A 5xiqB-4ydqA:
52.6		 5xiqB-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 LEU A 325
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
 None
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)
 0.65A 5xiqB-4ydqA:
52.6		 5xiqB-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.
4yrh ALPHA-TUBULIN
N-ACETYLTRANSFERASE
1

(Danio rerio) 		PF05301
(Acetyltransf_16) 		5 LEU A 158
VAL A 178
PRO A 153
THR A  60
SER A  49
 None
 1.28A 5xiqB-4yrhA:
undetectable		 5xiqB-4yrhA:
15.45
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.
4zzq CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Dictyostelium
discoideum) 		PF00840
(Glyco_hydro_7) 		5 LEU A 355
PHE A 291
VAL A 331
PRO A 226
SER A 147
 None
 1.32A 5xiqB-4zzqA:
undetectable		 5xiqB-4zzqA:
21.55
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.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 LEU A1297
PHE A1244
GLU A1350
HIS A1352
PHE A1318
 None
 1.41A 5xiqB-5a55A:
undetectable		 5xiqB-5a55A:
18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hm5 TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		5 LEU A 138
GLU A 161
VAL A 162
PRO A 156
SER A  69
 None
 1.48A 5xiqB-5hm5A:
undetectable		 5xiqB-5hm5A:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m1b 3-OCTAPRENYL-4-HYDRO
XYBENZOATE
CARBOXY-LYASE

(Escherichia
coli) 		PF01977
(UbiD) 		5 LEU A  22
PHE A  67
GLU A 328
GLU A 270
SER A 268
 None
 1.33A 5xiqB-5m1bA:
undetectable		 5xiqB-5m1bA:
22.20
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.
5mun LYS-GINGIPAIN W83

(Porphyromonas
gingivalis) 		PF08126
(Propeptide_C25) 		5 LEU A 186
GLU A  53
VAL A  67
PRO A  84
THR A  33
 None
None
None
None
AZI  A 301 (-4.6A)
 1.32A 5xiqB-5munA:
undetectable		 5xiqB-5munA:
17.20
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.
5u9z PHOSPHOGLYCEROL
TRANSFERASE

(Streptococcus
pyogenes) 		no annotation 5 LEU A 676
VAL A 501
PRO A 493
THR A 690
SER A 487
 None
 1.39A 5xiqB-5u9zA:
2.0		 5xiqB-5u9zA:
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.
5uld TRANSPORTER, NADC
FAMILY

(Vibrio cholerae) 		PF00939
(Na_sulph_symp) 		5 LEU A 236
PHE A 415
VAL A 441
THR A 200
SER A 146
 None
None
None
CIT  A 503 (-3.6A)
NA  A 501 (-2.4A)
 1.47A 5xiqB-5uldA:
undetectable		 5xiqB-5uldA:
21.22
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 LEU A1087
GLU A1100
VAL A1101
ARG A1152
TRP A1169
GLU A1171
HIS A1173
THR A1240
 None
None
None
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
 0.78A 5xiqB-5vadA:
49.9		 5xiqB-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) 		9 LEU A1087
VAL A1101
PRO A1120
ARG A1152
TRP A1169
GLU A1171
HIS A1173
THR A1240
SER A1272
 None
None
None
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
 0.59A 5xiqB-5vadA:
49.9		 5xiqB-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) 		6 LEU A1087
VAL A1101
PRO A1120
HIS A1173
THR A1222
SER A1272
 None
None
None
PRO  A1602 ( 4.5A)
None
PRO  A1602 (-3.3A)
 1.44A 5xiqB-5vadA:
49.9		 5xiqB-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) 		9 LEU A1087
VAL A1101
PRO A1120
TRP A1169
GLU A1171
HIS A1173
PHE A1216
THR A1240
SER A1272
 None
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
 0.73A 5xiqB-5vadA:
49.9		 5xiqB-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.
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
 1.16A 5xiqB-5vldA:
2.7		 5xiqB-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
ARG A 470
GLU A 489
HIS A 491
PHE A 534
THR A 558
SER A 588
 ANP  A1001 (-3.4A)
ANP  A1001 ( 2.9A)
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.6A)
86X  A1004 (-3.9A)
86X  A1004 (-3.6A)
 1.28A 5xiqB-5xiiA:
55.5		 5xiqB-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 LEU A 405
PHE A 415
GLU A 418
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
 None
86X  A1004 (-3.6A)
MG  A1003 (-4.1A)
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)
 0.23A 5xiqB-5xiiA:
55.5		 5xiqB-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
 0.46A 5xiqB-5xilA:
47.1		 5xiqB-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)
 1.33A 5xiqB-5xioA:
51.2		 5xiqB-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 LEU A 297
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
SER A 480
 None
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)
HFG  A 801 ( 3.8A)
 0.55A 5xiqB-5xioA:
51.2		 5xiqB-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 LEU A 297
PHE A 307
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
 None
HFG  A 801 (-3.7A)
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)
 0.37A 5xiqB-5xioA:
51.2		 5xiqB-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)
 1.18A 5xiqB-5xipA:
52.4		 5xiqB-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 LEU A 325
PHE A 335
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
 None
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)
HFG  A1003 (-3.4A)
ANP  A1001 ( 3.7A)
HFG  A1003 ( 3.9A)
 0.57A 5xiqB-5xipA:
52.4		 5xiqB-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.
5y7o UGGT

(Thermomyces
dupontii) 		PF06427
(UDP-g_GGTase) 		5 LEU A 503
PHE A 535
VAL A 485
HIS A 508
SER A 509
 None
 1.24A 5xiqB-5y7oA:
2.4		 5xiqB-5y7oA:
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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 5 GLU A 735
ARG A 616
TRP A 421
THR A 513
SER A1280
 None
 1.40A 5xiqB-6fikA:
4.7		 5xiqB-6fikA:
undetectable