SIMILAR PATTERNS OF AMINO ACIDS FOR 5XIQ_B_HFGB1002

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
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.
1arl APO-CARBOXYPEPTIDASE
A=ALPHA= (COX)

(Bos taurus) 		PF00246
(Peptidase_M14) 		3 THR A 268
GLU A 270
HIS A  69
 None
 0.81A 5xiqB-1arlA:
undetectable		 5xiqB-1arlA:
19.00
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.
1egz ENDOGLUCANASE Z

(Dickeya
chrysanthemi) 		PF00150
(Cellulase) 		3 THR A 219
GLU A 129
HIS A  98
 None
 0.87A 5xiqB-1egzA:
undetectable		 5xiqB-1egzA:
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.
1f8f BENZYL ALCOHOL
DEHYDROGENASE

(Acinetobacter
calcoaceticus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 THR A 177
GLU A 316
HIS A  65
 NAD  A 375 (-3.6A)
NAD  A 375 ( 4.3A)
ZN  A 372 (-3.4A)
 0.67A 5xiqB-1f8fA:
undetectable		 5xiqB-1f8fA:
21.70
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.
1g01 ENDOGLUCANASE

(Bacillus sp.
KSM-635) 		PF00150
(Cellulase)
PF03424
(CBM_17_28) 		3 THR A 484
GLU A 369
HIS A 331
 None
 0.91A 5xiqB-1g01A:
undetectable		 5xiqB-1g01A:
20.79
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.
1gzj EGI

(Thermoascus
aurantiacus) 		PF00150
(Cellulase) 		3 THR A 171
GLU A 166
HIS A  93
 None
 0.83A 5xiqB-1gzjA:
undetectable		 5xiqB-1gzjA:
18.51
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.
1jc4 METHYLMALONYL-COA
EPIMERASE

(Propionibacterium
freudenreichii) 		PF13669
(Glyoxalase_4) 		3 THR A 122
GLU A  48
HIS A  91
 SO4  A 203 (-3.0A)
SO4  A 203 (-3.6A)
None
 0.90A 5xiqB-1jc4A:
undetectable		 5xiqB-1jc4A:
14.08
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		3 THR A 151
GLU A 310
HIS A 316
 ZN  A 479 (-3.1A)
ZN  A 479 (-2.5A)
None
 0.90A 5xiqB-1k7hA:
undetectable		 5xiqB-1k7hA:
20.26
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.
1m54 CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		PF00291
(PALP) 		3 THR A  87
GLU A 239
HIS A 232
 None
 0.89A 5xiqB-1m54A:
undetectable		 5xiqB-1m54A:
21.81
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.
1m7s CATALASE

(Pseudomonas
syringae) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		3 THR A 264
GLU A 126
HIS A 123
 None
 0.76A 5xiqB-1m7sA:
undetectable		 5xiqB-1m7sA:
22.24
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.
1msk COBALAMIN-DEPENDENT
METHIONINE SYNTHASE

(Escherichia
coli) 		PF02965
(Met_synt_B12) 		3 THR A1146
GLU A1144
HIS A1027
 None
 0.80A 5xiqB-1mskA:
undetectable		 5xiqB-1mskA:
22.07
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) 		3 THR A 117
GLU A 119
HIS A 237
 5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-4.4A)
 0.41A 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) 		3 THR A 101
GLU A 103
HIS A 221
 None
 0.67A 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) 		3 THR A 274
GLU A 196
HIS A 336
 None
 0.75A 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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		3 THR A 516
GLU A 518
HIS A 645
 None
 0.88A 5xiqB-1o94A:
undetectable		 5xiqB-1o94A:
22.21
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.
1sfj 3-DEHYDROQUINATE
DEHYDRATASE

(Staphylococcus
aureus) 		PF01487
(DHquinase_I) 		3 THR A  71
GLU A 104
HIS A 132
 None
 0.87A 5xiqB-1sfjA:
undetectable		 5xiqB-1sfjA:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tvp CELLULASE

(Pseudoalteromonas
haloplanktis) 		PF00150
(Cellulase) 		3 THR A 221
GLU A 131
HIS A 100
 None
 0.89A 5xiqB-1tvpA:
undetectable		 5xiqB-1tvpA:
19.76
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.
1ve0 HYPOTHETICAL PROTEIN
(ST2072)

(Sulfurisphaera
tokodaii) 		PF01894
(UPF0047) 		3 THR A  12
GLU A 118
HIS A  43
 None
None
SO4  A 135 (-4.1A)
 0.87A 5xiqB-1ve0A:
undetectable		 5xiqB-1ve0A:
15.09
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.
1vmf HYPOTHETICAL PROTEIN

(Bacillus
halodurans) 		PF01894
(UPF0047) 		3 THR A   8
GLU A 116
HIS A  41
 None
None
ACT  A 135 (-4.1A)
 0.82A 5xiqB-1vmfA:
undetectable		 5xiqB-1vmfA:
14.55
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.
1vpa 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Thermotoga
maritima) 		PF01128
(IspD) 		3 THR A  78
GLU A 175
HIS A 170
 None
 0.79A 5xiqB-1vpaA:
3.0		 5xiqB-1vpaA:
19.33
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.
1vph HYPOTHETICAL PROTEIN
SSO2532

(Sulfolobus
solfataricus) 		PF01894
(UPF0047) 		3 THR A  12
GLU A 120
HIS A  45
 None
None
PO4  A 139 (-3.9A)
 0.84A 5xiqB-1vphA:
undetectable		 5xiqB-1vphA:
17.23
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.
1xbf CLOSTRIDIUM
ACETOBUTYLICUM
Q97KL0

(Clostridium
acetobutylicum) 		PF01894
(UPF0047) 		3 THR A  11
GLU A 118
HIS A  44
 None
None
SO4  A 201 (-4.0A)
 0.90A 5xiqB-1xbfA:
undetectable		 5xiqB-1xbfA:
12.40
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.
2avf COPPER-CONTAINING
NITRITE REDUCTASE

(Achromobacter
cycloclastes) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		3 THR A  92
GLU A  47
HIS A  60
 None
 0.87A 5xiqB-2avfA:
undetectable		 5xiqB-2avfA:
21.47
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.
2cbn RIBONUCLEASE Z

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		3 THR A 234
GLU A 232
HIS A 141
 None
None
ZN  A 401 (-3.4A)
 0.77A 5xiqB-2cbnA:
undetectable		 5xiqB-2cbnA:
20.44
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.
2ckr ENDOGLUCANASE E-5

(Thermobifida
fusca) 		PF00150
(Cellulase) 		3 THR A 354
GLU A 259
HIS A 225
 None
 0.91A 5xiqB-2ckrA:
undetectable		 5xiqB-2ckrA:
18.44
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.
2cu5 CONSERVED
HYPOTHETICAL PROTEIN
TT1486

(Thermus
thermophilus) 		PF01894
(UPF0047) 		3 THR A  11
GLU A 115
HIS A  40
 None
 0.91A 5xiqB-2cu5A:
undetectable		 5xiqB-2cu5A:
14.26
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.
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		3 THR A 123
GLU A  79
HIS A 177
 None
None
CU  A 401 (-3.1A)
 0.91A 5xiqB-2dwsA:
undetectable		 5xiqB-2dwsA:
21.80
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.
2e7y TRNASE Z

(Thermotoga
maritima) 		PF12706
(Lactamase_B_2) 		3 THR A 210
GLU A 208
HIS A 134
 None
None
ZN  A1302 (-3.7A)
 0.77A 5xiqB-2e7yA:
undetectable		 5xiqB-2e7yA:
19.80
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.
2fca TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Bacillus
subtilis) 		PF02390
(Methyltransf_4) 		3 THR A 101
GLU A 141
HIS A 134
 None
 0.86A 5xiqB-2fcaA:
undetectable		 5xiqB-2fcaA:
18.20
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.
2fqd BLUE COPPER OXIDASE
CUEO

(Escherichia
coli) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 THR A 148
GLU A 506
HIS A 448
 None
C2O  A 602 ( 4.9A)
C2O  A 602 (-3.3A)
 0.76A 5xiqB-2fqdA:
undetectable		 5xiqB-2fqdA:
21.02
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.
2i7t CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
73 KDA SUBUNIT

(Homo sapiens) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		3 THR A 206
GLU A 204
HIS A 158
 None
None
ZN  A 482 ( 3.3A)
 0.84A 5xiqB-2i7tA:
undetectable		 5xiqB-2i7tA:
21.22
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.
2ip4 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermus
thermophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		3 THR A 189
GLU A 286
HIS A 208
 None
 0.87A 5xiqB-2ip4A:
undetectable		 5xiqB-2ip4A:
24.76
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.
2iya OLEANDOMYCIN
GLYCOSYLTRANSFERASE

(Streptomyces
antibioticus) 		PF00201
(UDPGT) 		3 THR A 139
GLU A 352
HIS A 328
 ZIO  A1425 (-3.7A)
ZIO  A1425 (-3.8A)
UDP  A1424 (-4.0A)
 0.91A 5xiqB-2iyaA:
3.9		 5xiqB-2iyaA:
23.83
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.
2p6h HYPOTHETICAL PROTEIN

(Aeropyrum
pernix) 		PF01894
(UPF0047) 		3 THR A  10
GLU A 118
HIS A  43
 None
None
SO4  A 501 (-4.4A)
 0.87A 5xiqB-2p6hA:
undetectable		 5xiqB-2p6hA:
14.75
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.
2q1t PUTATIVE NUCLEOTIDE
SUGAR EPIMERASE/
DEHYDRATASE

(Bordetella
bronchiseptica) 		PF01370
(Epimerase) 		3 THR A  68
GLU A 104
HIS A 103
 NAD  A 358 ( 4.7A)
None
None
 0.90A 5xiqB-2q1tA:
undetectable		 5xiqB-2q1tA:
23.58
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.
2vg8 HYDROQUINONE
GLUCOSYLTRANSFERASE

(Arabidopsis
thaliana) 		PF00201
(UDPGT) 		3 THR A 140
GLU A 388
HIS A 364
 TRS  A1478 ( 4.4A)
TRS  A1478 (-2.8A)
UDP  A1477 (-3.9A)
 0.85A 5xiqB-2vg8A:
2.7		 5xiqB-2vg8A:
22.48
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.
2vw8 PA1000

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		3 THR A  68
GLU A  38
HIS A 221
 None
None
FE2  A 401 ( 3.4A)
 0.82A 5xiqB-2vw8A:
undetectable		 5xiqB-2vw8A:
20.71
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.
2x98 ALKALINE PHOSPHATASE

(Halobacterium
salinarum) 		PF00245
(Alk_phosphatase) 		3 THR A 172
GLU A 299
HIS A 305
 MG  A1477 (-3.1A)
MG  A1477 (-2.6A)
None
 0.91A 5xiqB-2x98A:
undetectable		 5xiqB-2x98A:
23.11
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.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT

(Methanosarcina
mazei) 		PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		3 THR A 379
GLU A 377
HIS A 329
 None
None
ZN  A1638 (-3.5A)
 0.87A 5xiqB-2xr1A:
undetectable		 5xiqB-2xr1A:
21.19
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.
2xrc HUMAN COMPLEMENT
FACTOR I

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00089
(Trypsin)
PF00530
(SRCR) 		3 THR A 268
GLU A 270
HIS A 247
 None
 0.87A 5xiqB-2xrcA:
undetectable		 5xiqB-2xrcA:
22.48
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.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR

(Methanothermobacter
thermautotrophicus) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		3 THR A 379
GLU A 377
HIS A 329
 None
None
ZN  A1638 ( 3.3A)
 0.74A 5xiqB-2ycbA:
undetectable		 5xiqB-2ycbA:
21.67
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.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		3 THR A 394
GLU A 392
HIS A 344
 None
None
ZN  A 662 (-3.4A)
 0.81A 5xiqB-3af5A:
undetectable		 5xiqB-3af5A:
22.57
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.
3aw5 MULTICOPPER OXIDASE

(Pyrobaculum
aerophilum) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 THR A 139
GLU A 466
HIS A 396
 None
C2O  A 702 ( 4.5A)
C2O  A 702 ( 3.3A)
 0.91A 5xiqB-3aw5A:
undetectable		 5xiqB-3aw5A:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 THR A 220
GLU A 125
HIS A 111
 None
MG  A 901 ( 4.4A)
MG  A 901 (-3.4A)
 0.83A 5xiqB-3fe4A:
undetectable		 5xiqB-3fe4A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h4h COPPER-CONTAINING
NITRITE REDUCTASE

(Alcaligenes
faecalis) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		3 THR A  92
GLU A  47
HIS A  60
 None
 0.89A 5xiqB-3h4hA:
undetectable		 5xiqB-3h4hA:
19.80
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) 		3 THR A 146
GLU A 148
HIS A 266
 PR8  A 601 (-4.0A)
PR8  A 601 (-3.0A)
PR8  A 601 ( 3.9A)
 0.31A 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.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		3 THR A 188
GLU A 186
HIS A 141
 U  E   1 ( 4.9A)
None
ZN  A 453 (-3.3A)
 0.80A 5xiqB-3ie1A:
undetectable		 5xiqB-3ie1A:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k2k PUTATIVE
CARBOXYPEPTIDASE

(Burkholderia
mallei) 		PF00246
(Peptidase_M14) 		3 THR A 342
GLU A 344
HIS A 171
 None
None
CL  A 387 (-4.6A)
 0.90A 5xiqB-3k2kA:
undetectable		 5xiqB-3k2kA:
21.09
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.
3kx2 PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE PRP43

(Saccharomyces
cerevisiae) 		no annotation 3 THR B 636
GLU B 541
HIS B 587
 None
 0.83A 5xiqB-3kx2B:
undetectable		 5xiqB-3kx2B:
21.83
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.
3m8y PHOSPHOPENTOMUTASE

(Bacillus cereus) 		PF01676
(Metalloenzyme) 		3 THR A  33
GLU A 342
HIS A 328
 None
None
MN  A 396 (-3.3A)
 0.90A 5xiqB-3m8yA:
2.5		 5xiqB-3m8yA:
21.30
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.
3s9j MEMBER OF DUF4221
FAMILY

(Bacteroides
vulgatus) 		PF13970
(DUF4221) 		3 THR A 323
GLU A 309
HIS A 294
 GOL  A 417 (-4.1A)
None
None
 0.75A 5xiqB-3s9jA:
undetectable		 5xiqB-3s9jA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sp1 CYSTEINYL-TRNA
SYNTHETASE

(Borreliella
burgdorferi) 		PF01406
(tRNA-synt_1e) 		3 THR A  67
GLU A 220
HIS A 218
 None
 0.89A 5xiqB-3sp1A:
undetectable		 5xiqB-3sp1A:
23.78
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.
3vmw PECTATE LYASE

(Bacillus sp.
N16-5) 		PF00544
(Pec_lyase_C) 		3 THR A 121
GLU A 124
HIS A 183
 None
None
SO4  A 904 ( 3.8A)
 0.67A 5xiqB-3vmwA:
undetectable		 5xiqB-3vmwA:
17.22
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.
3vsc PROTEIN CYSO

(Aeropyrum
pernix) 		PF00291
(PALP) 		3 THR A  97
GLU A 241
HIS A 234
 None
 0.91A 5xiqB-3vscA:
undetectable		 5xiqB-3vscA:
21.40
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.
3vue GRANULE-BOUND STARCH
SYNTHASE 1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		3 THR A  98
GLU A  91
HIS A 236
 None
 0.83A 5xiqB-3vueA:
3.6		 5xiqB-3vueA:
20.63
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.
3x43 O-UREIDO-L-SERINE
SYNTHASE

(Streptomyces
lavendulae) 		PF00291
(PALP) 		3 THR A  14
GLU A 159
HIS A 152
 None
None
PLP  A 401 ( 4.9A)
 0.91A 5xiqB-3x43A:
undetectable		 5xiqB-3x43A:
22.68
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.
3zei O-ACETYLSERINE
SULFHYDRYLASE

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		3 THR A  14
GLU A 161
HIS A 154
 None
 0.90A 5xiqB-3zeiA:
undetectable		 5xiqB-3zeiA:
20.88
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.
3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1

(Homo sapiens) 		PF00753
(Lactamase_B)
PF12706
(Lactamase_B_2) 		3 THR A 277
GLU A 275
HIS A 182
 None
None
ZN  A1364 ( 3.5A)
 0.82A 5xiqB-3zwfA:
undetectable		 5xiqB-3zwfA:
22.75
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.
4bps FKBO

(Streptomyces
hygroscopicus) 		no annotation 3 THR A 180
GLU A 340
HIS A  44
 None
 0.86A 5xiqB-4bpsA:
undetectable		 5xiqB-4bpsA:
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.
4d4p PROTEIN ATS1,
DIPHTHAMIDE
BIOSYNTHESIS PROTEIN
3

(Saccharomyces
cerevisiae) 		PF00415
(RCC1)
PF05207
(zf-CSL) 		3 THR A 230
GLU A 271
HIS A 250
 None
 0.85A 5xiqB-4d4pA:
undetectable		 5xiqB-4d4pA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4glf RSFP

(uncultured
bacterium) 		PF01048
(PNP_UDP_1) 		3 THR A 127
GLU A 209
HIS A 136
 None
 0.91A 5xiqB-4glfA:
2.0		 5xiqB-4glfA:
19.57
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.
4hu0 CELLULASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		3 THR A 288
GLU A 189
HIS A 146
 None
None
CTT  A 401 (-3.7A)
 0.83A 5xiqB-4hu0A:
undetectable		 5xiqB-4hu0A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hwg UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Rickettsia
bellii) 		PF02350
(Epimerase_2) 		3 THR A  96
GLU A  13
HIS A  34
 None
None
PO4  A 400 (-3.9A)
 0.64A 5xiqB-4hwgA:
4.1		 5xiqB-4hwgA:
22.26
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.
4il5 CYSTEINE SYNTHASE

(Entamoeba
histolytica) 		PF00291
(PALP) 		3 THR A  24
GLU A 175
HIS A 169
 None
 0.89A 5xiqB-4il5A:
undetectable		 5xiqB-4il5A:
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.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		3 THR A 503
GLU A 499
HIS A 428
 None
 0.65A 5xiqB-4ktpA:
undetectable		 5xiqB-4ktpA:
20.94
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.
4li3 CYSTEINE SYNTHASE

(Haemophilus
influenzae) 		PF00291
(PALP) 		3 THR X  14
GLU X 160
HIS X 153
 None
 0.89A 5xiqB-4li3X:
undetectable		 5xiqB-4li3X:
23.48
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.
4n7t PHOSPHOPENTOMUTASE

(Streptococcus
mutans) 		PF01676
(Metalloenzyme) 		3 THR A  38
GLU A 354
HIS A 340
 None
None
MN  A 501 (-3.2A)
 0.87A 5xiqB-4n7tA:
undetectable		 5xiqB-4n7tA:
20.23
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.
4rl1 TYPE I POLYKETIDE
SYNTHASE AVES 1

(Streptomyces
avermitilis) 		PF00698
(Acyl_transf_1) 		3 THR A 308
GLU A 300
HIS A 304
 None
 0.90A 5xiqB-4rl1A:
undetectable		 5xiqB-4rl1A:
21.54
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.
4w87 XYLOGLUCAN-SPECIFIC
ENDO-BETA-1,4-GLUCAN
ASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		3 THR A 361
GLU A 236
HIS A 194
 None
 0.80A 5xiqB-4w87A:
undetectable		 5xiqB-4w87A:
21.05
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.
4x33 PROTEIN ATS1

(Saccharomyces
cerevisiae) 		PF00415
(RCC1) 		3 THR B 230
GLU B 271
HIS B 250
 None
None
CL  A 102 ( 4.8A)
 0.88A 5xiqB-4x33B:
undetectable		 5xiqB-4x33B:
18.31
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.
4xzw ENDO-GLUCANASE
CHIMERA C10

(uncultured
bacterium;
Geobacillus sp.
70PC53) 		PF00150
(Cellulase) 		3 THR A 229
GLU A 138
HIS A 104
 None
 0.89A 5xiqB-4xzwA:
undetectable		 5xiqB-4xzwA:
19.18
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) 		3 THR A 359
GLU A 361
HIS A 480
 HFG  A 802 (-3.2A)
HFG  A 802 (-2.9A)
HFG  A 802 (-4.0A)
 0.19A 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.
4ye9 GLUTAMINE--TRNA
LIGASE

(Homo sapiens) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C)
PF04557
(tRNA_synt_1c_R2)
PF04558
(tRNA_synt_1c_R1) 		3 THR A 333
GLU A 449
HIS A 442
 None
 0.78A 5xiqB-4ye9A:
undetectable		 5xiqB-4ye9A:
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.
5a8q PUTATIVE RETAINING
B-GLYCOSIDASE

(Saccharophagus
degradans) 		PF00150
(Cellulase) 		3 THR A 290
GLU A 185
HIS A 142
 None
None
BGC  A1367 (-4.0A)
 0.88A 5xiqB-5a8qA:
undetectable		 5xiqB-5a8qA:
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.
5b7j SWITCH-ACTIVATING
PROTEIN 1

(Schizosaccharomyces
pombe) 		no annotation 3 THR A  30
GLU A  36
HIS A  76
 None
 0.74A 5xiqB-5b7jA:
undetectable		 5xiqB-5b7jA:
13.79
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.
5e78 BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE

(Bacillus
megaterium) 		PF00067
(p450) 		3 THR A 152
GLU A 409
HIS A 408
 None
 0.85A 5xiqB-5e78A:
undetectable		 5xiqB-5e78A:
22.66
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.
5ecu CELLULASE

(Caldicellulosiruptor
saccharolyticus) 		PF00150
(Cellulase)
PF03424
(CBM_17_28) 		3 THR A 284
GLU A 184
HIS A 149
 None
 0.84A 5xiqB-5ecuA:
undetectable		 5xiqB-5ecuA:
21.24
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.
5fip GH5 CELLULASE

(unidentified) 		PF00150
(Cellulase)
PF03424
(CBM_17_28) 		3 THR A 293
GLU A 188
HIS A 153
 None
 0.90A 5xiqB-5fipA:
undetectable		 5xiqB-5fipA:
22.24
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.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		3 THR A 208
GLU A 206
HIS A 152
 A  C   1 ( 4.4A)
None
None
 0.76A 5xiqB-5habA:
undetectable		 5xiqB-5habA:
21.96
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.
5i77 ENDO-BETA-1,
4-GLUCANASE

(Aspergillus
niger) 		PF00150
(Cellulase) 		3 THR A 198
GLU A 193
HIS A 120
 None
 0.80A 5xiqB-5i77A:
undetectable		 5xiqB-5i77A:
19.96
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.
5ihs ENDOGLUCANASE,
GLYCOSIDE HYDROLASE
FAMILY 5 PROTEIN

(Cytophaga
hutchinsonii) 		PF00150
(Cellulase) 		3 THR A 246
GLU A 155
HIS A 124
 None
 0.87A 5xiqB-5ihsA:
undetectable		 5xiqB-5ihsA:
20.46
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.
5im2 TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL

(Rhodoferax
ferrireducens) 		PF03480
(DctP) 		3 THR A 173
GLU A 108
HIS A 146
 None
None
BEZ  A 401 ( 4.2A)
 0.85A 5xiqB-5im2A:
undetectable		 5xiqB-5im2A:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j7z PUTATIVE SECRETED
ENDOGLYCOSYLCERAMIDA
SE

(Rhodococcus
hoagii) 		PF00150
(Cellulase) 		3 THR A 338
GLU A 210
HIS A 131
 None
None
BGC  A 604 (-4.5A)
 0.90A 5xiqB-5j7zA:
undetectable		 5xiqB-5j7zA:
19.44
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		3 THR A1108
GLU A1167
HIS A1114
 None
 0.81A 5xiqB-5kf7A:
undetectable		 5xiqB-5kf7A:
16.65
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.
5mp7 RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE

(Mycolicibacterium
smegmatis) 		PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth) 		3 THR A 297
GLU A 278
HIS A 166
 None
 0.86A 5xiqB-5mp7A:
undetectable		 5xiqB-5mp7A:
22.79
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.
5swu PENTAFUNCTIONAL AROM
POLYPEPTIDE

(Aspergillus
fumigatus) 		PF01487
(DHquinase_I) 		3 THR A1122
GLU A1155
HIS A1179
 None
 0.64A 5xiqB-5swuA:
undetectable		 5xiqB-5swuA:
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.
5tnx ALCOHOL
DEHYDROGENASE
ZINC-BINDING DOMAIN
PROTEIN

(Burkholderia
ambifaria) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 THR A 180
GLU A 319
HIS A  68
 None
 0.70A 5xiqB-5tnxA:
2.2		 5xiqB-5tnxA:
21.69
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.
5uib OXIDOREDUCTASE
PROTEIN

(Agrobacterium
tumefaciens) 		PF01408
(GFO_IDH_MocA) 		3 THR A 131
GLU A 293
HIS A 289
 None
 0.71A 5xiqB-5uibA:
2.1		 5xiqB-5uibA:
23.81
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) 		3 THR A1121
GLU A1123
HIS A1242
 PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
PRO  A1602 (-4.1A)
 0.48A 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.
5wh8 PUTATIVE
CARBOHYDRATE-ACTIVE
ENZYME

(uncultured
organism) 		no annotation 3 THR A 283
GLU A 192
HIS A 156
 None
 0.87A 5xiqB-5wh8A:
undetectable		 5xiqB-5wh8A:
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.
5xa2 CYSTEINE SYNTHASE

(Planctopirus
limnophila) 		PF00291
(PALP) 		3 THR A  14
GLU A 160
HIS A 153
 None
 0.90A 5xiqB-5xa2A:
undetectable		 5xiqB-5xa2A:
21.81
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.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 3 THR A 439
GLU A 441
HIS A 560
 86X  A1004 (-3.6A)
86X  A1004 (-3.0A)
86X  A1004 (-3.7A)
 0.08A 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.
5xio PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE)

(Cryptosporidium
parvum) 		no annotation 3 THR A 331
GLU A 333
HIS A 452
 HFG  A 801 (-3.4A)
HFG  A 801 (-3.0A)
HFG  A 801 (-4.2A)
 0.11A 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 3 THR A 359
GLU A 361
HIS A 480
 HFG  A1003 (-3.9A)
HFG  A1003 (-2.9A)
HFG  A1003 (-3.5A)
 0.28A 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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		3 THR B 493
GLU B 207
HIS B 511
 None
 0.79A 5xiqB-5xogB:
undetectable		 5xiqB-5xogB:
18.30
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.
5ywp JEV E PROTEIN

(Japanese
encephalitis
virus) 		no annotation 3 THR A 317
GLU A 373
HIS A 144
 None
 0.68A 5xiqB-5ywpA:
undetectable		 5xiqB-5ywpA:
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.
6bk8 PRE-MRNA-SPLICING
FACTOR SYF1

(Saccharomyces
cerevisiae) 		no annotation 3 THR U 796
GLU U 788
HIS U 791
 None
 0.88A 5xiqB-6bk8U:
undetectable		 5xiqB-6bk8U:
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.
6c2h CYSTATHIONINE
BETA-SYNTHASE

(Saccharomyces
cerevisiae) 		no annotation 3 THR A  21
GLU A 174
HIS A 167
 None
 0.91A 5xiqB-6c2hA:
undetectable		 5xiqB-6c2hA:
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.
6evg MULTI-COPPER OXIDASE
CUEO

(Ochrobactrum) 		no annotation 3 THR A 138
GLU A 496
HIS A 437
 None
 0.77A 5xiqB-6evgA:
undetectable		 5xiqB-6evgA:
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.
6evg MULTI-COPPER OXIDASE
CUEO

(Ochrobactrum) 		no annotation 3 THR A 138
GLU A 496
HIS A 439
 None
None
EDO  A 602 (-3.8A)
 0.82A 5xiqB-6evgA:
undetectable		 5xiqB-6evgA:
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.
6evg MULTI-COPPER OXIDASE
CUEO

(Ochrobactrum) 		no annotation 3 THR A 138
GLU A 496
HIS A 491
 None
 0.87A 5xiqB-6evgA:
undetectable		 5xiqB-6evgA:
undetectable