SIMILAR PATTERNS OF AMINO ACIDS FOR 5XIQ_A_HFGA1002

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.
1aql BILE-SALT ACTIVATED
LIPASE

(Bos taurus) 		PF00135
(COesterase) 		5 VAL A 460
GLU A 193
HIS A 435
THR A 397
GLY A 221
 None
 1.30A 5xiqA-1aqlA:
undetectable		 5xiqA-1aqlA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cg4 PROTEIN
(ADENYLOSUCCINATE
SYNTHETASE)

(Escherichia
coli) 		PF00709
(Adenylsucc_synt) 		5 GLU A 369
VAL A 368
PRO A 279
THR A 286
GLY A 287
 None
 1.09A 5xiqA-1cg4A:
undetectable		 5xiqA-1cg4A:
23.16
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.
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)
 1.27A 5xiqA-1dbvO:
4.8		 5xiqA-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.
1eep INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE

(Borreliella
burgdorferi) 		PF00478
(IMPDH) 		5 LEU A 363
PRO A  44
PHE A 288
THR A  54
GLY A  69
 None
 1.34A 5xiqA-1eepA:
undetectable		 5xiqA-1eepA:
19.73
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.
1fzt PHOSPHOGLYCERATE
MUTASE

(Schizosaccharomyces
pombe) 		PF00300
(His_Phos_1) 		5 LEU A  49
GLU A 207
VAL A  11
PRO A 192
GLU A  41
 None
 1.26A 5xiqA-1fztA:
undetectable		 5xiqA-1fztA:
17.51
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
TRP A 158
GLU A 160
THR A 228
SER A 258
GLY A 260
 None
 1.04A 5xiqA-1hc7A:
46.9		 5xiqA-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
TRP A 158
GLU A 160
HIS A 162
PHE A 205
THR A 228
SER A 258
GLY A 260
 None
 0.74A 5xiqA-1hc7A:
46.9		 5xiqA-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) 		6 LEU A  91
GLU A 144
TRP A 158
GLU A 160
THR A 228
GLY A 260
 None
 1.08A 5xiqA-1hc7A:
46.9		 5xiqA-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.
1jsd HAEMAGGLUTININ (HA1
CHAIN)

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 LEU A 233
VAL A 235
PRO A 244
HIS A 248
GLY A  63
 None
 1.28A 5xiqA-1jsdA:
undetectable		 5xiqA-1jsdA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.23A 5xiqA-1lgyA:
undetectable		 5xiqA-1lgyA:
19.60
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
GLU A 168
HIS A 170
PHE A 212
GLY A 267
 5CA  A 512 (-4.1A)
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.9A)
 0.85A 5xiqA-1nj1A:
44.2		 5xiqA-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 150
PRO A 116
GLU A 168
HIS A 170
GLY A 267
 5CA  A 512 (-4.1A)
None
None
None
5CA  A 512 (-3.9A)
 0.88A 5xiqA-1nj1A:
44.2		 5xiqA-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
GLU A 168
HIS A 170
PHE A 212
THR A 235
GLY A 267
 None
None
None
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.99A 5xiqA-1nj1A:
44.2		 5xiqA-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
GLU A 168
HIS A 170
THR A 235
GLY A 267
 None
None
None
None
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.66A 5xiqA-1nj1A:
44.2		 5xiqA-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
 0.85A 5xiqA-1nj1A:
44.2		 5xiqA-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
 1.25A 5xiqA-1nj1A:
44.2		 5xiqA-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
 1.15A 5xiqA-1nj8A:
42.5		 5xiqA-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) 		7 LEU A  67
VAL A  81
PRO A 100
GLU A 152
HIS A 154
THR A 219
GLY A 251
 None
 0.47A 5xiqA-1nj8A:
42.5		 5xiqA-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 5xiqA-1nj8A:
42.5		 5xiqA-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
 1.20A 5xiqA-1nj8A:
42.5		 5xiqA-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.
1omo ALANINE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF02423
(OCD_Mu_crystall) 		5 LEU A   6
GLU A 306
VAL A 304
THR A  92
GLY A  93
 LEU  A   6 ( 0.6A)
GLU  A 306 ( 0.6A)
VAL  A 304 ( 0.6A)
THR  A  92 ( 0.8A)
GLY  A  93 ( 0.0A)
 1.20A 5xiqA-1omoA:
undetectable		 5xiqA-1omoA:
22.55
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.
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
 1.32A 5xiqA-1srqA:
3.9		 5xiqA-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.
1t77 LIPOPOLYSACCHARIDE-R
ESPONSIVE AND
BEIGE-LIKE ANCHOR
PROTEIN

(Homo sapiens) 		PF02138
(Beach)
PF14844
(PH_BEACH) 		5 LEU A2097
VAL A2176
THR A2231
SER A2236
GLY A2234
 None
 0.92A 5xiqA-1t77A:
undetectable		 5xiqA-1t77A:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tlt PUTATIVE
OXIDOREDUCTASE
(VIRULENCE FACTOR
MVIM HOMOLOG)

(Escherichia
coli) 		PF01408
(GFO_IDH_MocA) 		5 LEU A 168
PHE A 161
GLU A 100
PRO A  97
GLY A  12
 None
SO4  A 322 (-4.6A)
None
None
None
 1.22A 5xiqA-1tltA:
3.1		 5xiqA-1tltA:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u6z EXOPOLYPHOSPHATASE

(Escherichia
coli) 		PF02541
(Ppx-GppA) 		5 LEU A  76
PHE A  13
VAL A  84
THR A 132
GLY A 295
 None
 1.22A 5xiqA-1u6zA:
undetectable		 5xiqA-1u6zA:
22.32
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.
1v26 LONG-CHAIN-FATTY-ACI
D-COA SYNTHETASE

(Thermus
thermophilus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 129
GLU A 443
HIS A 230
THR A 276
GLY A 441
 None
 1.28A 5xiqA-1v26A:
undetectable		 5xiqA-1v26A:
21.98
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.
1zlt SERINE/THREONINE-PRO
TEIN KINASE CHK1

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A  82
VAL A  40
HIS A 128
THR A 170
GLY A 169
 None
 1.30A 5xiqA-1zltA:
undetectable		 5xiqA-1zltA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b2x ANTIBODY AQC2 FAB
ANTIBODY AQC2 FAB

(Mus musculus;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 LEU L   4
VAL L  29
THR H  33
SER H  35
GLY H  98
 None
 1.21A 5xiqA-2b2xL:
undetectable		 5xiqA-2b2xL:
16.94
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.
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
 1.12A 5xiqA-2d3aA:
undetectable		 5xiqA-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
 1.28A 5xiqA-2fjaA:
undetectable		 5xiqA-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
SER A 315
GLY A 317
 None
None
None
5CA  A 439 (-3.6A)
5CA  A 439 (-3.5A)
 1.27A 5xiqA-2i4nA:
28.8		 5xiqA-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.
2rf4 DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA4
DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA4

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF03876
(SHS2_Rpb7-N)
PF08203
(RNA_polI_A14) 		5 LEU A 133
PHE A 153
VAL A 245
PRO A 127
HIS B  30
 None
 1.27A 5xiqA-2rf4A:
undetectable		 5xiqA-2rf4A:
17.46
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.
2wae PENICILLIN-BINDING
PROTEIN 2B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 LEU A 197
VAL A 104
GLU A 240
SER A 239
GLY A 243
 None
 1.33A 5xiqA-2waeA:
undetectable		 5xiqA-2waeA:
22.27
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.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN
ETHANOLAMINE
AMMONIA-LYASE LIGHT
CHAIN

(Escherichia
coli;
Escherichia
coli) 		PF06751
(EutB)
PF05985
(EutC) 		5 LEU B  70
VAL B  78
PRO A 449
PHE A 216
GLY A 435
 None
 1.26A 5xiqA-3anyB:
5.8		 5xiqA-3anyB:
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.
3cdx SUCCINYLGLUTAMATEDES
UCCINYLASE/ASPARTOAC
YLASE

(Rhodobacter
sphaeroides) 		PF04952
(AstE_AspA) 		5 LEU A  30
VAL A 108
PRO A  97
THR A  58
GLY A  59
 None
 1.15A 5xiqA-3cdxA:
undetectable		 5xiqA-3cdxA:
20.61
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.
3g9k CAPSULE BIOSYNTHESIS
PROTEIN CAPD

(Bacillus
anthracis) 		no annotation 5 GLU L  60
PRO L  56
GLU L  87
HIS L  89
GLY L  84
 None
 1.24A 5xiqA-3g9kL:
undetectable		 5xiqA-3g9kL:
20.24
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.
3gym PROSTASIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU A 171
VAL A 184
PRO A 225
THR A 210
GLY A 211
 None
 1.09A 5xiqA-3gymA:
undetectable		 5xiqA-3gymA:
17.29
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA

(Moorella
thermoacetica) 		PF03063
(Prismane) 		5 GLU A 611
VAL A 610
PRO A 608
SER A 480
GLY A 475
 None
 1.08A 5xiqA-3i04A:
4.5		 5xiqA-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 LEU A 112
GLU A 125
PRO A 145
TRP A 194
GLU A 196
HIS A 198
GLY A 296
 None
None
None
None
PR8  A 601 (-4.5A)
PR8  A 601 ( 4.5A)
PR8  A 601 (-3.4A)
 0.45A 5xiqA-3ialA:
43.5		 5xiqA-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)
 1.22A 5xiqA-3k2bA:
4.5		 5xiqA-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
 1.10A 5xiqA-3kioA:
undetectable		 5xiqA-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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 LEU A 255
VAL A 261
HIS A 269
PHE A 119
GLY A 318
 None
 1.16A 5xiqA-3mduA:
undetectable		 5xiqA-3mduA:
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.
3nks PROTOPORPHYRINOGEN
OXIDASE

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 LEU A 233
VAL A 456
PRO A  58
PHE A 331
GLY A 345
 None
FAD  A 479 (-4.0A)
FAD  A 479 (-3.9A)
ACJ  A 478 (-4.6A)
ACJ  A 478 (-3.6A)
 1.33A 5xiqA-3nksA:
undetectable		 5xiqA-3nksA:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o2x COLLAGENASE 3

(Homo sapiens) 		PF00413
(Peptidase_M10) 		5 LEU A1239
PHE A1224
VAL A1144
PHE A1201
THR A1126
 3O2  A1801 (-4.5A)
None
None
None
None
 1.30A 5xiqA-3o2xA:
undetectable		 5xiqA-3o2xA:
16.40
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.
3pr2 TRYPTOPHAN SYNTHASE
BETA CHAIN

(Salmonella
enterica) 		PF00291
(PALP) 		5 LEU B  25
VAL B  17
PRO B 194
PHE B   9
GLY B 234
 None
None
None
None
7MN  B   2 (-3.4A)
 1.29A 5xiqA-3pr2B:
undetectable		 5xiqA-3pr2B:
22.16
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.
3quc INORGANIC
PYROPHOSPHATASE

(Bacteroides
thetaiotaomicron) 		PF13419
(HAD_2) 		5 LEU A 195
VAL A 199
PRO A 174
SER A  53
GLY A 146
 None
 1.30A 5xiqA-3qucA:
2.2		 5xiqA-3qucA:
18.60
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.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 LEU A 558
VAL A 600
PHE A 680
SER A 493
GLY A 649
 None
 1.02A 5xiqA-3rimA:
undetectable		 5xiqA-3rimA:
21.20
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.
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
 1.09A 5xiqA-3rkoL:
undetectable		 5xiqA-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.
3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 LEU A 439
PRO A  45
PHE A 367
THR A  55
GLY A  70
 None
 1.34A 5xiqA-3tsdA:
undetectable		 5xiqA-3tsdA:
21.28
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.
3x2z UPF0173
METAL-DEPENDENT
HYDROLASE TM_1162

(Thermotoga
maritima) 		PF12706
(Lactamase_B_2) 		5 LEU A 224
PHE A   5
VAL A 216
THR A  47
GLY A 126
 None
 1.21A 5xiqA-3x2zA:
undetectable		 5xiqA-3x2zA:
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.
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 LEU A 414
VAL A 289
PRO A 266
THR A  43
GLY A  41
 None
None
None
FAD  A 600 (-4.0A)
FAD  A 600 (-3.2A)
 1.25A 5xiqA-3zyxA:
undetectable		 5xiqA-3zyxA:
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.
4ciu CHAPERONE PROTEIN
CLPB

(Escherichia
coli) 		PF00004
(AAA)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 LEU A 694
PHE A 601
VAL A 714
PRO A 597
GLY A 590
 None
 1.20A 5xiqA-4ciuA:
undetectable		 5xiqA-4ciuA:
22.06
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.
4d48 GLUCOSE-1-PHOSPHATE
URIDYLYLTRANSFERASE

(Erwinia
amylovora) 		PF00483
(NTP_transferase) 		5 VAL A 119
PRO A  14
GLU A  32
THR A  20
GLY A  19
 None
 1.27A 5xiqA-4d48A:
undetectable		 5xiqA-4d48A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eb0 LCC

(uncultured
bacterium) 		PF12695
(Abhydrolase_5) 		5 PHE A 196
VAL A 202
PRO A 186
HIS A 242
GLY A  94
 None
 1.14A 5xiqA-4eb0A:
4.0		 5xiqA-4eb0A:
17.80
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.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 LEU A 260
VAL A 266
HIS A 274
PHE A 124
GLY A 323
 None
 1.18A 5xiqA-4f0lA:
undetectable		 5xiqA-4f0lA:
20.48
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.
4fn5 ELONGATION FACTOR G
1

(Pseudomonas
aeruginosa) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 LEU A 343
GLU A 358
VAL A 349
THR A 326
GLY A 331
 None
 1.26A 5xiqA-4fn5A:
3.2		 5xiqA-4fn5A:
23.01
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.
4fvl COLLAGENASE 3

(Homo sapiens) 		PF00045
(Hemopexin)
PF00413
(Peptidase_M10) 		5 LEU A 239
PHE A 224
VAL A 144
PHE A 201
THR A 126
 None
 1.28A 5xiqA-4fvlA:
undetectable		 5xiqA-4fvlA:
20.54
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.
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
 1.29A 5xiqA-4gs4A:
undetectable		 5xiqA-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.
4idm DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		5 LEU A 198
PHE A 191
GLU A 144
THR A 457
GLY A 480
 None
 1.20A 5xiqA-4idmA:
2.0		 5xiqA-4idmA:
21.31
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.
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
 1.25A 5xiqA-4if5A:
undetectable		 5xiqA-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.
4j7h EVAA 2,3-DEHYDRATASE

(Amycolatopsis
orientalis) 		PF03559
(Hexose_dehydrat) 		5 LEU A 385
VAL A 332
PRO A 370
HIS A 375
GLY A 300
 None
 1.27A 5xiqA-4j7hA:
undetectable		 5xiqA-4j7hA:
22.43
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.
4jgi PUTATIVE
UNCHARACTERIZED
PROTEIN

(Desulfitobacterium
hafniense) 		PF02310
(B12-binding)
PF02607
(B12-binding_2) 		5 LEU A 173
VAL A 136
PRO A 141
PHE A 109
GLY A 117
 None
None
None
COB  A 301 (-3.6A)
None
 1.17A 5xiqA-4jgiA:
7.1		 5xiqA-4jgiA:
18.62
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.
4mk3 GLUTATHIONE
S-TRANSFERASE

(Cupriavidus
metallidurans) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 GLU A  21
VAL A  18
PHE A 186
THR A 146
GLY A 150
 None
 1.23A 5xiqA-4mk3A:
undetectable		 5xiqA-4mk3A:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 LEU A 284
VAL A 294
PRO A 464
THR A 437
GLY A 439
 None
 1.02A 5xiqA-4mz0A:
undetectable		 5xiqA-4mz0A:
20.13
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.
4nv4 SIGNAL PEPTIDASE I

(Bacillus
anthracis) 		PF00717
(Peptidase_S24) 		5 LEU A 110
HIS A 157
PHE A 126
THR A 132
GLY A 159
 None
PG4  A 201 (-3.9A)
None
None
None
 1.32A 5xiqA-4nv4A:
undetectable		 5xiqA-4nv4A:
16.63
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.
4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Vibrio cholerae) 		PF01546
(Peptidase_M20) 		6 LEU A 250
GLU A 243
VAL A 245
PRO A 233
THR A 215
GLY A 214
 None
None
None
None
EDO  A 311 ( 4.9A)
BU1  A 307 (-4.1A)
 1.23A 5xiqA-4op4A:
undetectable		 5xiqA-4op4A:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tqo METHANOL
DEHYDROGENASE
PROTEIN, LARGE
SUBUNIT

(Methylococcus
capsulatus) 		no annotation 5 LEU B 390
PHE B 376
VAL B 388
SER B 341
GLY B 339
 None
 1.25A 5xiqA-4tqoB:
undetectable		 5xiqA-4tqoB:
22.58
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.
4wd9 NISIN BIOSYNTHESIS
PROTEIN NISB

(Lactococcus
lactis) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		5 GLU A 823
VAL A 824
GLU A 356
PHE A 342
GLY A 363
 None
 1.18A 5xiqA-4wd9A:
undetectable		 5xiqA-4wd9A:
18.91
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
GLU A 409
HIS A 411
PHE A 454
THR A 478
SER A 508
GLY A 510
 ANP  A 801 (-3.6A)
HFG  A 802 ( 4.9A)
HFG  A 802 (-4.5A)
HFG  A 802 (-3.6A)
HFG  A 802 ( 4.0A)
HFG  A 802 ( 3.8A)
HFG  A 802 (-3.7A)
 1.05A 5xiqA-4ydqA:
53.1		 5xiqA-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
GLU A 409
HIS A 411
PHE A 454
THR A 478
SER A 508
GLY A 510
 None
HFG  A 802 (-3.4A)
MG  A 803 ( 4.1A)
HFG  A 802 (-4.1A)
HFG  A 802 (-4.2A)
HFG  A 802 ( 4.9A)
HFG  A 802 (-4.5A)
HFG  A 802 (-3.6A)
HFG  A 802 ( 4.0A)
HFG  A 802 ( 3.8A)
HFG  A 802 (-3.7A)
 0.32A 5xiqA-4ydqA:
53.1		 5xiqA-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
TRP A 407
PHE A 454
THR A 478
SER A 508
GLY A 510
 None
HFG  A 802 (-3.4A)
MG  A 803 ( 4.1A)
HFG  A 802 (-4.1A)
HFG  A 802 (-4.2A)
None
HFG  A 802 (-3.6A)
HFG  A 802 ( 4.0A)
HFG  A 802 ( 3.8A)
HFG  A 802 (-3.7A)
 0.66A 5xiqA-4ydqA:
53.1		 5xiqA-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.
4z0c TOLL-LIKE RECEPTOR
13

(Mus musculus) 		PF00560
(LRR_1)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 697
PHE A 667
GLU A 679
THR A 653
GLY A 652
 None
None
A  B   7 ( 3.6A)
None
G  B   8 ( 4.6A)
 1.21A 5xiqA-4z0cA:
undetectable		 5xiqA-4z0cA:
20.85
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.
5ao5 C-TYPE MANNOSE
RECEPTOR 2

(Homo sapiens) 		PF00040
(fn2)
PF00059
(Lectin_C) 		5 LEU A 444
PHE A 463
VAL A 461
THR A 305
GLY A 307
 None
 1.08A 5xiqA-5ao5A:
undetectable		 5xiqA-5ao5A:
19.36
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.
5c6g AGR133CP
SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii;
Eremothecium
gossypii) 		PF10345
(Cohesin_load)
no annotation 		5 LEU B  33
PHE A 397
VAL A 340
SER A 452
GLY A 461
 None
 1.30A 5xiqA-5c6gB:
undetectable		 5xiqA-5c6gB:
20.04
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.
5c9l PLL LECTIN

(Photorhabdus
luminescens) 		PF03984
(DUF346) 		5 LEU A  98
VAL A 137
PRO A 125
THR A 317
GLY A  26
 None
 1.32A 5xiqA-5c9lA:
undetectable		 5xiqA-5c9lA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cio PYRROLOQUINOLINE
QUINONE BIOSYNTHESIS
PROTEIN PQQF

(Serratia sp.
FS14) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 LEU A 562
VAL A 612
PRO A 628
PHE A 669
GLY A 636
 None
 1.18A 5xiqA-5cioA:
undetectable		 5xiqA-5cioA:
19.83
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.
5czw MYROILYSIN

(Myroides
profundi) 		PF01400
(Astacin) 		5 LEU A   7
PHE A  86
PRO A  92
SER A 106
GLY A 109
 None
MLY  A  70 ( 4.0A)
None
None
None
 1.01A 5xiqA-5czwA:
undetectable		 5xiqA-5czwA:
18.02
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.
5czw MYROILYSIN

(Myroides
profundi) 		PF01400
(Astacin) 		5 LEU A   7
PRO A  92
PHE A 144
SER A 106
GLY A 109
 None
 1.07A 5xiqA-5czwA:
undetectable		 5xiqA-5czwA:
18.02
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.
5g0q BETA-GLUCURONIDASE

(Acidobacterium
capsulatum) 		PF03662
(Glyco_hydro_79n) 		5 LEU A 176
GLU A 245
GLU A  45
SER A  43
GLY A 328
 None
None
IF6  A1476 (-2.9A)
None
None
 1.26A 5xiqA-5g0qA:
undetectable		 5xiqA-5g0qA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis) 		PF14592
(Chondroitinas_B) 		5 VAL A 431
PRO A 429
TRP A 427
PHE A  60
GLY A  78
 None
 0.99A 5xiqA-5gkqA:
undetectable		 5xiqA-5gkqA:
22.30
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.
5gqf LACTO-N-BIOSIDASE

(Bifidobacterium
longum) 		no annotation 5 LEU A 345
PHE A 277
VAL A 328
THR A 158
GLY A 213
 None
 1.12A 5xiqA-5gqfA:
undetectable		 5xiqA-5gqfA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uld TRANSPORTER, NADC
FAMILY

(Vibrio cholerae) 		PF00939
(Na_sulph_symp) 		5 LEU A 183
PHE A 415
GLU A 374
THR A 200
SER A 146
 None
None
None
CIT  A 503 (-3.6A)
NA  A 501 (-2.4A)
 1.00A 5xiqA-5uldA:
undetectable		 5xiqA-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) 		5 GLU A1154
PHE A1216
THR A1240
SER A1272
GLY A1274
 91Y  A1601 (-4.6A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
 0.84A 5xiqA-5vadA:
49.7		 5xiqA-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) 		8 LEU A1087
GLU A1100
VAL A1101
TRP A1169
GLU A1171
HIS A1173
THR A1240
GLY A1274
 None
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.7A)
 0.74A 5xiqA-5vadA:
49.7		 5xiqA-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
THR A1240
SER A1272
GLY A1274
 None
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
 0.58A 5xiqA-5vadA:
49.7		 5xiqA-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
TRP A1169
GLU A1171
HIS A1173
PHE A1216
THR A1240
SER A1272
GLY A1274
 None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
 0.72A 5xiqA-5vadA:
49.7		 5xiqA-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
 1.18A 5xiqA-5vldA:
2.6		 5xiqA-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 8 GLU A 472
TRP A 487
GLU A 489
HIS A 491
PHE A 534
THR A 558
SER A 588
GLY A 590
 ANP  A1001 (-3.4A)
None
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.6A)
86X  A1004 (-3.9A)
86X  A1004 (-3.6A)
86X  A1004 ( 4.2A)
 1.11A 5xiqA-5xiiA:
57.6		 5xiqA-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
TRP A 487
GLU A 489
HIS A 491
PHE A 534
THR A 558
SER A 588
GLY A 590
 None
86X  A1004 (-3.6A)
MG  A1003 (-4.1A)
86X  A1004 (-4.2A)
86X  A1004 (-4.3A)
None
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.6A)
86X  A1004 (-3.9A)
86X  A1004 (-3.6A)
86X  A1004 ( 4.2A)
 0.20A 5xiqA-5xiiA:
57.6		 5xiqA-5xiiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xil PUTATIVE PROLYL-TRNA
SYNTHETASE

(Leishmania
major) 		no annotation 7 TRP A 407
GLU A 409
HIS A 411
PHE A 454
THR A 478
SER A 510
GLY A 512
 None
 0.50A 5xiqA-5xilA:
47.6		 5xiqA-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
TRP A 379
GLU A 381
HIS A 383
THR A 450
SER A 480
GLY A 482
 ANP  A 803 (-3.7A)
None
HFG  A 801 ( 4.9A)
HFG  A 801 ( 4.7A)
ANP  A 803 (-3.9A)
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.9A)
 1.09A 5xiqA-5xioA:
51.7		 5xiqA-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
TRP A 379
GLU A 381
PHE A 426
THR A 450
SER A 480
GLY A 482
 None
HFG  A 801 (-3.7A)
None
HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
None
HFG  A 801 ( 4.9A)
HFG  A 801 (-3.7A)
ANP  A 803 (-3.9A)
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.9A)
 0.59A 5xiqA-5xioA:
51.7		 5xiqA-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
TRP A 379
GLU A 381
HIS A 383
PHE A 426
THR A 450
SER A 480
GLY A 482
 None
HFG  A 801 (-3.7A)
HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
None
HFG  A 801 ( 4.9A)
HFG  A 801 ( 4.7A)
HFG  A 801 (-3.7A)
ANP  A 803 (-3.9A)
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.9A)
 0.41A 5xiqA-5xioA:
51.7		 5xiqA-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
TRP A 407
GLU A 409
HIS A 411
THR A 478
SER A 508
GLY A 510
 ANP  A1001 (-3.8A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
ANP  A1001 ( 3.7A)
HFG  A1003 ( 3.9A)
HFG  A1003 ( 3.9A)
 0.93A 5xiqA-5xipA:
52.9		 5xiqA-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
TRP A 407
GLU A 409
HIS A 411
PHE A 454
THR A 478
SER A 508
GLY A 510
 None
HFG  A1003 (-3.8A)
MG  A1002 ( 4.3A)
HFG  A1003 ( 4.6A)
HFG  A1003 (-4.3A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
HFG  A1003 (-3.4A)
ANP  A1001 ( 3.7A)
HFG  A1003 ( 3.9A)
HFG  A1003 ( 3.9A)
 0.51A 5xiqA-5xipA:
52.9		 5xiqA-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
 1.15A 5xiqA-5y7oA:
3.2		 5xiqA-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.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 5 VAL A 566
PRO A 625
GLU A 166
THR A 163
GLY A 165
 None
 1.17A 5xiqA-5z9sA:
undetectable		 5xiqA-5z9sA:
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.
6bf6 INSULIN-DEGRADING
ENZYME

(Homo sapiens) 		no annotation 5 LEU A 823
GLU A 864
PHE A 811
THR A 797
GLY A 845
 None
 1.28A 5xiqA-6bf6A:
undetectable		 5xiqA-6bf6A:
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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum) 		no annotation 5 LEU A 186
VAL A 209
PRO A 206
SER A 242
GLY A 360
 None
 1.34A 5xiqA-6ercA:
undetectable		 5xiqA-6ercA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6grw -

(-) 		no annotation 5 PRO A 407
GLU A 290
HIS A 266
SER A 267
GLY A 292
 None
 1.09A 5xiqA-6grwA:
undetectable		 5xiqA-6grwA:
undetectable
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) 		4 THR A 117
GLU A 119
ARG A 148
HIS A 237
 5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
5CA  A 512 (-4.4A)
 0.50A 5xiqA-1nj1A:
44.2		 5xiqA-1nj1A:
36.42
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.
2h39 PROBABLE
GALACTOSE-1-PHOSPHAT
E URIDYL TRANSFERASE

(Arabidopsis
thaliana) 		PF01087
(GalP_UDP_transf)
PF02744
(GalP_UDP_tr_C) 		4 THR A 243
GLU A 247
ARG A  33
HIS A 295
 None
 1.18A 5xiqA-2h39A:
0.0		 5xiqA-2h39A:
19.68
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) 		4 THR A 146
GLU A 148
ARG A 177
HIS A 266
 PR8  A 601 (-4.0A)
PR8  A 601 (-3.0A)
PR8  A 601 ( 4.3A)
PR8  A 601 ( 3.9A)
 0.31A 5xiqA-3ialA:
43.5		 5xiqA-3ialA:
32.96
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) 		4 THR A 359
GLU A 361
ARG A 390
HIS A 480
 HFG  A 802 (-3.2A)
HFG  A 802 (-2.9A)
ANP  A 801 ( 2.5A)
HFG  A 802 (-4.0A)
 0.12A 5xiqA-4ydqA:
53.1		 5xiqA-4ydqA:
65.81
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) 		4 THR A1121
GLU A1123
ARG A1152
HIS A1242
 PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
PRO  A1602 ( 3.4A)
PRO  A1602 (-4.1A)
 0.59A 5xiqA-5vadA:
49.7		 5xiqA-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.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 4 THR A 439
GLU A 441
ARG A 470
HIS A 560
 86X  A1004 (-3.6A)
86X  A1004 (-3.0A)
ANP  A1001 ( 2.9A)
86X  A1004 (-3.7A)
 0.12A 5xiqA-5xiiA:
57.6		 5xiqA-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.
5xio PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE)

(Cryptosporidium
parvum) 		no annotation 4 THR A 331
GLU A 333
ARG A 362
HIS A 452
 HFG  A 801 (-3.4A)
HFG  A 801 (-3.0A)
ANP  A 803 ( 3.1A)
HFG  A 801 (-4.2A)
 0.23A 5xiqA-5xioA:
51.7		 5xiqA-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 4 THR A 359
GLU A 361
ARG A 390
HIS A 480
 HFG  A1003 (-3.9A)
HFG  A1003 (-2.9A)
ANP  A1001 (-2.8A)
HFG  A1003 (-3.5A)
 0.30A 5xiqA-5xipA:
52.9		 5xiqA-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.
5ydl PKS

(Streptomyces
sp. CNQ431) 		no annotation 4 THR A 353
GLU A 345
ARG A 357
HIS A 373
 None
 1.15A 5xiqA-5ydlA:
0.0		 5xiqA-5ydlA:
undetectable