SIMILAR PATTERNS OF AMINO ACIDS FOR 2QX4_B_ML1B233_1

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.
1c7g TYROSINE
PHENOL-LYASE

(Pantoea
agglomerans) 		PF01212
(Beta_elim_lyase) 		4 GLY A 265
THR A  96
GLN A  98
PHE A 123
 None
None
PLP  A1000 (-3.7A)
PLP  A1000 (-3.7A)
 1.06A 2qx4A-1c7gA:
3.0
2qx4B-1c7gA:
2.6		 2qx4A-1c7gA:
19.22
2qx4B-1c7gA:
19.22
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.
1e6v METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT

(Methanopyrus
kandleri) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 GLY B 327
THR B 331
PHE B 360
PHE B 376
 None
 1.16A 2qx4A-1e6vB:
undetectable
2qx4B-1e6vB:
undetectable		 2qx4A-1e6vB:
20.40
2qx4B-1e6vB:
20.40
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.
1hsl HISTIDINE-BINDING
PROTEIN

(Escherichia
coli) 		PF00497
(SBP_bac_3) 		4 TRP A 130
THR A 124
GLN A 122
PHE A 159
 None
None
HIS  A 239 (-3.6A)
None
 1.18A 2qx4A-1hslA:
undetectable
2qx4B-1hslA:
undetectable		 2qx4A-1hslA:
24.05
2qx4B-1hslA:
24.05
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.
1jmu PROTEIN MU-1

(Reovirus sp.) 		PF05993
(Reovirus_M2) 		4 TRP B 413
GLY B 363
THR B 343
PHE B 404
 None
SO4  B 710 (-3.4A)
None
None
 1.11A 2qx4A-1jmuB:
undetectable
2qx4B-1jmuB:
undetectable		 2qx4A-1jmuB:
15.78
2qx4B-1jmuB:
15.78
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.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20) 		PF00704
(Glyco_hydro_18) 		4 GLY A 420
THR A  44
GLN A  38
PHE A  34
 None
 1.14A 2qx4A-1kfwA:
undetectable
2qx4B-1kfwA:
undetectable		 2qx4A-1kfwA:
20.32
2qx4B-1kfwA:
20.32
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.
1m56 CYTOCHROME C OXIDASE

(Rhodobacter
sphaeroides) 		PF00510
(COX3) 		4 TRP C 264
THR C 127
PHE C 101
PHE C 102
 None
 1.15A 2qx4A-1m56C:
undetectable
2qx4B-1m56C:
undetectable		 2qx4A-1m56C:
19.13
2qx4B-1m56C:
19.13
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.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN

(Oligotropha
carboxidovorans) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 GLY B 237
THR B 238
CYH B 220
PHE B  54
 None
 1.14A 2qx4A-1n60B:
undetectable
2qx4B-1n60B:
undetectable		 2qx4A-1n60B:
15.68
2qx4B-1n60B:
15.68
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.
1npy HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN HI0607

(Haemophilus
influenzae) 		PF08501
(Shikimate_dh_N) 		4 GLY A 126
THR A 183
PHE A 198
PHE A 202
 None
 1.15A 2qx4A-1npyA:
undetectable
2qx4B-1npyA:
2.8		 2qx4A-1npyA:
21.84
2qx4B-1npyA:
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.
1ru3 ACETYL-COA SYNTHASE

(Carboxydothermus
hydrogenoformans) 		PF03598
(CdhC) 		4 GLY A 640
THR A 642
PHE A 601
PHE A 631
 None
 1.17A 2qx4A-1ru3A:
undetectable
2qx4B-1ru3A:
3.4		 2qx4A-1ru3A:
15.79
2qx4B-1ru3A:
15.79
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.
1sp8 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Zea mays) 		PF00903
(Glyoxalase) 		4 THR A 289
GLN A 300
PHE A 385
PHE A 374
 None
 1.23A 2qx4A-1sp8A:
undetectable
2qx4B-1sp8A:
undetectable		 2qx4A-1sp8A:
20.43
2qx4B-1sp8A:
20.43
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.
1uuo DIHYDROOROTATE
DEHYDROGENASE

(Rattus rattus) 		PF01180
(DHO_dh) 		4 GLY A 332
GLN A 354
PHE A 115
PHE A  88
 None
 1.00A 2qx4A-1uuoA:
undetectable
2qx4B-1uuoA:
undetectable		 2qx4A-1uuoA:
22.16
2qx4B-1uuoA:
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.
1w3f HEMOLYTIC LECTIN
FROM LAETIPORUS
SULPHUREUS

(Laetiporus
sulphureus) 		PF03318
(ETX_MTX2) 		4 TRP A 238
GLY A 300
GLN A 198
PHE A 246
 None
 1.12A 2qx4A-1w3fA:
undetectable
2qx4B-1w3fA:
undetectable		 2qx4A-1w3fA:
20.81
2qx4B-1w3fA:
20.81
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.
1w61 B-CELL MITOGEN

(Trypanosoma
cruzi) 		PF05544
(Pro_racemase) 		4 GLY A 165
THR A 162
PHE A 215
PHE A 192
 None
 1.02A 2qx4A-1w61A:
undetectable
2qx4B-1w61A:
undetectable		 2qx4A-1w61A:
20.43
2qx4B-1w61A:
20.43
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.
1w6j LANOSTEROL SYNTHASE

(Homo sapiens) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		4 GLY A 499
THR A 534
CYH A 567
GLN A 570
 None
 0.97A 2qx4A-1w6jA:
undetectable
2qx4B-1w6jA:
undetectable		 2qx4A-1w6jA:
17.08
2qx4B-1w6jA:
17.08
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.
1we5 PUTATIVE FAMILY 31
GLUCOSIDASE YICI

(Escherichia
coli) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 GLY A 187
THR A 188
CYH A 483
PHE A 515
 None
 1.15A 2qx4A-1we5A:
undetectable
2qx4B-1we5A:
undetectable		 2qx4A-1we5A:
14.88
2qx4B-1we5A:
14.88
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.
1xls ORPHAN NUCLEAR
RECEPTOR NR1I3

(Mus musculus) 		PF00104
(Hormone_recep) 		4 GLY E 136
GLN E 181
PHE E 177
PHE E 145
 None
 1.23A 2qx4A-1xlsE:
undetectable
2qx4B-1xlsE:
undetectable		 2qx4A-1xlsE:
20.85
2qx4B-1xlsE:
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.
1xny PROPIONYL-COA
CARBOXYLASE COMPLEX
B SUBUNIT

(Streptomyces
coelicolor) 		PF01039
(Carboxyl_trans) 		4 GLY A 143
CYH A 180
PHE A 204
PHE A 221
 1VU  A5601 (-3.4A)
None
None
None
 1.02A 2qx4A-1xnyA:
2.3
2qx4B-1xnyA:
undetectable		 2qx4A-1xnyA:
20.58
2qx4B-1xnyA:
20.58
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.
1xv9 ORPHAN NUCLEAR
RECEPTOR NR1I3

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 GLY B 126
GLN B 171
PHE B 167
PHE B 135
 None
 1.04A 2qx4A-1xv9B:
undetectable
2qx4B-1xv9B:
undetectable		 2qx4A-1xv9B:
20.08
2qx4B-1xv9B:
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.
2a6y EMP47P (FORM1)

(Saccharomyces
cerevisiae) 		PF03388
(Lectin_leg-like) 		4 GLY A 112
THR A 246
PHE A 148
PHE A 186
 None
 1.03A 2qx4A-2a6yA:
undetectable
2qx4B-2a6yA:
undetectable		 2qx4A-2a6yA:
19.62
2qx4B-2a6yA:
19.62
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.
2gp4 6-PHOSPHOGLUCONATE
DEHYDRATASE

(Shewanella
oneidensis) 		PF00920
(ILVD_EDD) 		4 TRP A 394
GLY A 375
THR A 372
GLN A 264
 None
 0.75A 2qx4A-2gp4A:
undetectable
2qx4B-2gp4A:
undetectable		 2qx4A-2gp4A:
16.22
2qx4B-2gp4A:
16.22
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.
2gpc IRON SUPEROXIDE
DISMUTASE

(Trypanosoma
cruzi) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TRP A 126
GLN A 193
PHE A  77
PHE A  73
 None
 1.02A 2qx4A-2gpcA:
undetectable
2qx4B-2gpcA:
undetectable		 2qx4A-2gpcA:
20.59
2qx4B-2gpcA:
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.
2hxg L-ARABINOSE
ISOMERASE

(Escherichia
coli) 		PF02610
(Arabinose_Isome)
PF11762
(Arabinose_Iso_C) 		4 TRP A 429
GLY A 389
THR A 388
PHE A 453
 None
 1.13A 2qx4A-2hxgA:
3.3
2qx4B-2hxgA:
3.6		 2qx4A-2hxgA:
18.53
2qx4B-2hxgA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 GLY X 345
THR X 350
PHE X 512
PHE X 462
 None
 1.20A 2qx4A-2iv2X:
undetectable
2qx4B-2iv2X:
undetectable		 2qx4A-2iv2X:
15.97
2qx4B-2iv2X:
15.97
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.
2j4d CRYPTOCHROME DASH

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 TRP A 366
GLY A 393
CYH A 398
PHE A 416
 None
None
FAD  A1498 ( 4.6A)
FAD  A1498 ( 4.8A)
 0.97A 2qx4A-2j4dA:
undetectable
2qx4B-2j4dA:
undetectable		 2qx4A-2j4dA:
16.83
2qx4B-2j4dA:
16.83
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.
2q6u NIKD PROTEIN

(Streptomyces
tendae) 		PF01266
(DAO) 		4 GLY A 102
THR A  99
GLN A 332
PHE A 359
 None
 1.03A 2qx4A-2q6uA:
undetectable
2qx4B-2q6uA:
undetectable		 2qx4A-2q6uA:
20.00
2qx4B-2q6uA:
20.00
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.
2r15 MYOMESIN-1

(Homo sapiens) 		PF07679
(I-set) 		4 GLY A1508
THR A1507
GLN A1476
PHE A1480
 None
 1.23A 2qx4A-2r15A:
undetectable
2qx4B-2r15A:
undetectable		 2qx4A-2r15A:
25.00
2qx4B-2r15A:
25.00
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.
2vyc BIODEGRADATIVE
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		4 TRP A 474
GLY A 635
PHE A 601
PHE A 476
 None
 1.01A 2qx4A-2vycA:
2.2
2qx4B-2vycA:
undetectable		 2qx4A-2vycA:
15.99
2qx4B-2vycA:
15.99
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.
2w2g NON-STRUCTURAL
PROTEIN 3

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF11633
(SUD-M) 		4 GLY A 609
THR A 612
CYH A 550
PHE A 581
 None
 1.05A 2qx4A-2w2gA:
undetectable
2qx4B-2w2gA:
undetectable		 2qx4A-2w2gA:
18.98
2qx4B-2w2gA:
18.98
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.
2xq1 PEROXISOMAL CATALASE

(Ogataea angusta) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 194
GLN A 185
PHE A 144
PHE A 154
 None
 1.11A 2qx4A-2xq1A:
undetectable
2qx4B-2xq1A:
undetectable		 2qx4A-2xq1A:
17.43
2qx4B-2xq1A:
17.43
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.
2xuz IRON-UPTAKE
SYSTEM-BINDING
PROTEIN

(Bacillus
subtilis) 		PF01497
(Peripla_BP_2) 		4 TRP A 282
GLY A 279
GLN A 277
PHE A  71
 None
 1.14A 2qx4A-2xuzA:
undetectable
2qx4B-2xuzA:
undetectable		 2qx4A-2xuzA:
21.45
2qx4B-2xuzA:
21.45
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.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 GLY A 222
THR A 530
GLN A 221
PHE A 110
 None
 1.06A 2qx4A-2y8nA:
undetectable
2qx4B-2y8nA:
undetectable		 2qx4A-2y8nA:
13.60
2qx4B-2y8nA:
13.60
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.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 THR A 404
CYH A 389
GLN A 343
PHE A 108
 None
 1.17A 2qx4A-2y8nA:
undetectable
2qx4B-2y8nA:
undetectable		 2qx4A-2y8nA:
13.60
2qx4B-2y8nA:
13.60
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.
3act CELLOBIOSE
PHOSPHORYLASE

(Cellulomonas
gilvus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 GLY A 732
CYH A 665
GLN A 712
PHE A 664
 PO4  A2902 (-3.5A)
None
PO4  A2902 (-3.8A)
BGC  A2901 (-4.7A)
 1.22A 2qx4A-3actA:
undetectable
2qx4B-3actA:
undetectable		 2qx4A-3actA:
14.55
2qx4B-3actA:
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.
3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE

(Bifidobacterium
breve) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		4 GLY A 102
THR A 147
PHE A 129
PHE A 130
 None
 1.02A 2qx4A-3ahiA:
3.5
2qx4B-3ahiA:
3.6		 2qx4A-3ahiA:
13.02
2qx4B-3ahiA:
13.02
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.
3ai7 XYLULOSE-5-PHOSPHATE
/FRUCTOSE-6-PHOSPHAT
E PHOSPHOKETOLASE

(Bifidobacterium
longum) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		4 GLY A 102
THR A 147
PHE A 129
PHE A 130
 None
 1.00A 2qx4A-3ai7A:
undetectable
2qx4B-3ai7A:
3.6		 2qx4A-3ai7A:
13.29
2qx4B-3ai7A:
13.29
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.
3av6 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		4 GLY A1226
CYH A1229
PHE A1232
PHE A1246
 SAM  A   1 (-4.4A)
None
None
None
 1.15A 2qx4A-3av6A:
3.1
2qx4B-3av6A:
2.7		 2qx4A-3av6A:
10.64
2qx4B-3av6A:
10.64
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.
3bfx SULFOTRANSFERASE 1C2

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		4 GLY A 179
THR A 112
PHE A 191
PHE A 193
 None
 1.14A 2qx4A-3bfxA:
2.3
2qx4B-3bfxA:
2.3		 2qx4A-3bfxA:
20.26
2qx4B-3bfxA:
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.
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides) 		PF01041
(DegT_DnrJ_EryC1) 		4 GLY A  60
THR A  62
CYH A  57
PHE A  41
 LLP  A 186 ( 3.4A)
None
None
None
 1.09A 2qx4A-3bn1A:
undetectable
2qx4B-3bn1A:
undetectable		 2qx4A-3bn1A:
20.63
2qx4B-3bn1A:
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.
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides) 		PF01041
(DegT_DnrJ_EryC1) 		4 GLY A  60
THR A  62
CYH A  57
PHE A  45
 LLP  A 186 ( 3.4A)
None
None
None
 1.16A 2qx4A-3bn1A:
undetectable
2qx4B-3bn1A:
undetectable		 2qx4A-3bn1A:
20.63
2qx4B-3bn1A:
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.
3coi MITOGEN-ACTIVATED
PROTEIN KINASE 13

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLY A 240
THR A 265
PHE A 270
PHE A 274
 None
 1.11A 2qx4A-3coiA:
undetectable
2qx4B-3coiA:
undetectable		 2qx4A-3coiA:
22.71
2qx4B-3coiA:
22.71
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.
3esf IRON-CONTAINING
SUPEROXIDE DISMUTASE
B2

(Trypanosoma
brucei) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TRP A 127
GLN A 194
PHE A  78
PHE A  74
 None
 0.97A 2qx4A-3esfA:
undetectable
2qx4B-3esfA:
undetectable		 2qx4A-3esfA:
20.50
2qx4B-3esfA:
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.
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 GLY A 271
THR A 241
PHE A 178
PHE A 159
 None
None
EDO  A8003 ( 3.9A)
None
 1.04A 2qx4A-3gbdA:
undetectable
2qx4B-3gbdA:
undetectable		 2qx4A-3gbdA:
16.08
2qx4B-3gbdA:
16.08
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.
3hno PYROPHOSPHATE-DEPEND
ENT
PHOSPHOFRUCTOKINASE

(Nitrosospira
multiformis) 		PF00365
(PFK) 		4 TRP A 196
THR A 150
CYH A 152
PHE A 367
 None
 1.23A 2qx4A-3hnoA:
4.1
2qx4B-3hnoA:
4.4		 2qx4A-3hnoA:
18.90
2qx4B-3hnoA:
18.90
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.
3ian CHITINASE

(Lactococcus
lactis) 		PF00704
(Glyco_hydro_18) 		4 GLY A 232
THR A 292
GLN A 231
PHE A 201
 None
 1.03A 2qx4A-3ianA:
undetectable
2qx4B-3ianA:
undetectable		 2qx4A-3ianA:
23.31
2qx4B-3ianA:
23.31
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.
3kvn ESTERASE ESTA

(Pseudomonas
aeruginosa) 		no annotation 4 GLY X 352
THR X 377
GLN X 333
PHE X 541
 None
 1.19A 2qx4A-3kvnX:
2.7
2qx4B-3kvnX:
undetectable		 2qx4A-3kvnX:
16.58
2qx4B-3kvnX:
16.58
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.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		4 GLY A 291
THR A 294
GLN A 431
PHE A 138
 HEM  A 481 ( 3.7A)
TPF  A 490 ( 3.5A)
None
None
 1.11A 2qx4A-3l4dA:
undetectable
2qx4B-3l4dA:
undetectable		 2qx4A-3l4dA:
18.87
2qx4B-3l4dA:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m2r METHYL-COENZYME M
REDUCTASE I SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 GLY B 326
THR B 330
PHE B 359
PHE B 375
 None
 1.17A 2qx4A-3m2rB:
undetectable
2qx4B-3m2rB:
undetectable		 2qx4A-3m2rB:
20.36
2qx4B-3m2rB:
20.36
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.
3o0y LIPOPROTEIN

(Colwellia
psychrerythraea) 		PF05960
(DUF885) 		4 GLY A 328
GLN A 327
PHE A 492
PHE A 347
 TRS  A 612 (-4.6A)
None
None
GOL  A 614 (-4.7A)
 1.04A 2qx4A-3o0yA:
undetectable
2qx4B-3o0yA:
undetectable		 2qx4A-3o0yA:
17.08
2qx4B-3o0yA:
17.08
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.
3p3l CYTOCHROME P450

(Streptomyces
thioluteus) 		PF00067
(p450) 		4 THR A 295
GLN A  91
PHE A  89
PHE A  85
 None
HEM  A 501 (-4.3A)
None
None
 0.74A 2qx4A-3p3lA:
undetectable
2qx4B-3p3lA:
undetectable		 2qx4A-3p3lA:
20.92
2qx4B-3p3lA:
20.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		6 GLY A  68
THR A  71
CYH A 121
GLN A 122
PHE A 126
PHE A 178
 TE7  A   1 ( 4.1A)
None
None
TE7  A   1 ( 4.3A)
TE7  A   1 (-4.3A)
TE7  A   1 (-3.6A)
 0.20A 2qx4A-3te7A:
39.6
2qx4B-3te7A:
38.9		 2qx4A-3te7A:
100.00
2qx4B-3te7A:
100.00
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.
3tsy FUSION PROTEIN
4-COUMARATE--COA
LIGASE 1,
RESVERATROL SYNTHASE

(Arabidopsis
thaliana;
Vitis vinifera) 		PF00195
(Chal_sti_synt_N)
PF00501
(AMP-binding)
PF02797
(Chal_sti_synt_C)
PF13193
(AMP-binding_C) 		4 GLY A 402
CYH A 404
GLN A 375
PHE A 392
 None
 1.18A 2qx4A-3tsyA:
2.1
2qx4B-3tsyA:
4.7		 2qx4A-3tsyA:
12.70
2qx4B-3tsyA:
12.70
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.
3u2p RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		4 GLY A 313
THR A 314
PHE A 331
PHE A 367
 None
 1.02A 2qx4A-3u2pA:
undetectable
2qx4B-3u2pA:
undetectable		 2qx4A-3u2pA:
17.60
2qx4B-3u2pA:
17.60
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.
3zef PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		4 GLY B2231
THR B2360
GLN B2229
PHE B2193
 None
 0.96A 2qx4A-3zefB:
undetectable
2qx4B-3zefB:
undetectable		 2qx4A-3zefB:
9.31
2qx4B-3zefB:
9.31
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.
3zuy TRANSPORTER

(Neisseria
meningitidis) 		PF01758
(SBF) 		4 GLY A 236
THR A  84
GLN A 264
PHE A 290
 None
None
NA  A1311 (-3.4A)
None
 1.15A 2qx4A-3zuyA:
undetectable
2qx4B-3zuyA:
undetectable		 2qx4A-3zuyA:
19.69
2qx4B-3zuyA:
19.69
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.
4aec CYSTEINE SYNTHASE,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF00291
(PALP) 		4 GLY A 184
GLN A 255
PHE A 256
PHE A 338
 None
 1.19A 2qx4A-4aecA:
undetectable
2qx4B-4aecA:
undetectable		 2qx4A-4aecA:
21.48
2qx4B-4aecA:
21.48
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.
4akk NITRATE REGULATORY
PROTEIN

(Klebsiella
oxytoca) 		PF03861
(ANTAR)
PF08376
(NIT) 		4 GLY A 173
GLN A 203
PHE A 207
PHE A 222
 EDO  A1392 (-4.4A)
None
None
None
 0.94A 2qx4A-4akkA:
undetectable
2qx4B-4akkA:
undetectable		 2qx4A-4akkA:
18.16
2qx4B-4akkA:
18.16
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.
4axn CHITINASE C1

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18) 		4 GLY A 211
THR A 271
GLN A 210
PHE A 180
 None
 1.15A 2qx4A-4axnA:
undetectable
2qx4B-4axnA:
undetectable		 2qx4A-4axnA:
20.65
2qx4B-4axnA:
20.65
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.
4bb7 CHROMATIN
STRUCTURE-REMODELING
COMPLEX SUBUNIT RSC2

(Saccharomyces
cerevisiae) 		PF01426
(BAH) 		4 GLY A 548
THR A 633
PHE A 551
PHE A 492
 None
 1.18A 2qx4A-4bb7A:
undetectable
2qx4B-4bb7A:
undetectable		 2qx4A-4bb7A:
20.44
2qx4B-4bb7A:
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.
4bgd PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT) 		4 GLY C2231
THR C2360
GLN C2229
PHE C2193
 None
 1.08A 2qx4A-4bgdC:
undetectable
2qx4B-4bgdC:
undetectable		 2qx4A-4bgdC:
22.64
2qx4B-4bgdC:
22.64
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.
4csb VIRULENCE ASSOCIATED
PROTEIN VAPD

(Rhodococcus
hoagii) 		PF05526
(R_equi_Vir) 		4 GLY A 125
GLN A  40
PHE A  42
PHE A  91
 None
 1.21A 2qx4A-4csbA:
undetectable
2qx4B-4csbA:
undetectable		 2qx4A-4csbA:
20.09
2qx4B-4csbA:
20.09
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.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 GLY A 765
CYH A 810
GLN A 807
PHE A 323
 None
 1.07A 2qx4A-4f4cA:
undetectable
2qx4B-4f4cA:
undetectable		 2qx4A-4f4cA:
10.78
2qx4B-4f4cA:
10.78
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.
4hoz SUCROSE ISOMERASE

(Erwinia
rhapontici) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 GLY A 298
THR A 268
PHE A 205
PHE A 186
 None
None
GLC  A 703 (-3.7A)
GLC  A 703 (-4.8A)
 0.98A 2qx4A-4hozA:
undetectable
2qx4B-4hozA:
undetectable		 2qx4A-4hozA:
16.82
2qx4B-4hozA:
16.82
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.
4il5 CYSTEINE SYNTHASE

(Entamoeba
histolytica) 		PF00291
(PALP) 		4 GLY A  87
GLN A 159
PHE A 160
PHE A 241
 ILE  A 401 (-3.5A)
ILE  A 401 (-2.4A)
ILE  A 401 (-4.9A)
None
 1.22A 2qx4A-4il5A:
undetectable
2qx4B-4il5A:
undetectable		 2qx4A-4il5A:
20.06
2qx4B-4il5A:
20.06
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.
4j75 TRYPTOPHANYL-TRNA
SYNTHETASE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		4 GLY A 308
GLN A 341
PHE A 383
PHE A 438
 TYM  A 701 (-3.4A)
TYM  A 701 (-3.9A)
None
None
 1.14A 2qx4A-4j75A:
undetectable
2qx4B-4j75A:
undetectable		 2qx4A-4j75A:
20.49
2qx4B-4j75A:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j75 TRYPTOPHANYL-TRNA
SYNTHETASE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		4 GLY A 308
THR A 307
GLN A 456
PHE A 482
 TYM  A 701 (-3.4A)
TYM  A 701 (-4.6A)
TYM  A 701 (-3.4A)
None
 1.13A 2qx4A-4j75A:
undetectable
2qx4B-4j75A:
undetectable		 2qx4A-4j75A:
20.49
2qx4B-4j75A:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kq9 RIBOSE ABC
TRANSPORTER,
SUBSTRATE BINDING
PROTEIN

(Conexibacter
woesei) 		PF13407
(Peripla_BP_4) 		5 GLY A 150
THR A 315
GLN A 286
PHE A  62
PHE A  63
 None
None
GOL  A 502 (-3.4A)
GOL  A 502 ( 4.5A)
None
 1.19A 2qx4A-4kq9A:
4.9
2qx4B-4kq9A:
4.9		 2qx4A-4kq9A:
21.55
2qx4B-4kq9A:
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.
4mb5 CHITINASE 60

(Moritella
marina) 		PF00704
(Glyco_hydro_18)
PF16403
(DUF5011) 		4 GLY A 223
THR A 282
GLN A 222
PHE A 192
 NDG  A 611 (-3.6A)
None
NAG  A 610 (-3.2A)
None
 1.09A 2qx4A-4mb5A:
undetectable
2qx4B-4mb5A:
undetectable		 2qx4A-4mb5A:
18.49
2qx4B-4mb5A:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n1a CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		4 TRP A 978
GLY A 832
THR A 835
PHE A 981
 None
 1.13A 2qx4A-4n1aA:
undetectable
2qx4B-4n1aA:
undetectable		 2qx4A-4n1aA:
15.33
2qx4B-4n1aA:
15.33
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.
4nh0 CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		4 TRP A 978
GLY A 832
THR A 835
PHE A 981
 None
None
ATP  A1405 (-4.9A)
None
 1.17A 2qx4A-4nh0A:
undetectable
2qx4B-4nh0A:
undetectable		 2qx4A-4nh0A:
12.64
2qx4B-4nh0A:
12.64
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.
4nzm INOSITOL
HEXAKISPHOSPHATE AND
DIPHOSPHOINOSITOL-PE
NTAKISPHOSPHATE
KINASE 2

(Homo sapiens) 		no annotation 4 GLY A 307
THR A 251
CYH A 298
GLN A 303
 None
 1.16A 2qx4A-4nzmA:
3.2
2qx4B-4nzmA:
3.6		 2qx4A-4nzmA:
19.76
2qx4B-4nzmA:
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.
4pfi TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Marinobacter
hydrocarbonoclasticus) 		PF03480
(DctP) 		4 GLY A 340
THR A 336
PHE A 149
PHE A 163
 None
 1.17A 2qx4A-4pfiA:
undetectable
2qx4B-4pfiA:
undetectable		 2qx4A-4pfiA:
21.04
2qx4B-4pfiA:
21.04
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.
4qc8 VP2

(Ungulate
bocaparvovirus
1) 		PF00740
(Parvo_coat) 		5 TRP A 189
GLY A 474
THR A 473
PHE A 100
PHE A 102
 None
 1.46A 2qx4A-4qc8A:
undetectable
2qx4B-4qc8A:
undetectable		 2qx4A-4qc8A:
17.93
2qx4B-4qc8A:
17.93
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.
4qhz PUTATIVE GLYCOSYL
HYDROLASE

(Parabacteroides
distasonis) 		PF06439
(DUF1080) 		4 TRP A  91
GLY A 249
GLN A 246
PHE A 257
 None
None
MG  A 302 (-2.7A)
None
 1.13A 2qx4A-4qhzA:
undetectable
2qx4B-4qhzA:
undetectable		 2qx4A-4qhzA:
21.24
2qx4B-4qhzA:
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.
4rsl FRUCTOSYL PEPTIDE
OXIDASE

(Penicillium
terrenum) 		PF01266
(DAO) 		4 TRP A 149
GLY A 263
PHE A 332
PHE A 141
 None
 0.92A 2qx4A-4rslA:
2.6
2qx4B-4rslA:
2.6		 2qx4A-4rslA:
20.86
2qx4B-4rslA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w5z CHITINASE 60

(Moritella
marina) 		PF00704
(Glyco_hydro_18) 		4 GLY A 223
THR A 282
GLN A 222
PHE A 192
 None
 1.08A 2qx4A-4w5zA:
undetectable
2qx4B-4w5zA:
undetectable		 2qx4A-4w5zA:
21.78
2qx4B-4w5zA:
21.78
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.
4xox 3-OXOACYL-ACP
SYNTHASE

(Vibrio cholerae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 GLY A 105
GLN A 195
PHE A 199
PHE A 227
 None
 1.18A 2qx4A-4xoxA:
undetectable
2qx4B-4xoxA:
undetectable		 2qx4A-4xoxA:
20.60
2qx4B-4xoxA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yle PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Burkholderia
multivorans) 		PF13407
(Peripla_BP_4) 		5 GLY A 143
THR A 309
GLN A 277
PHE A  46
PHE A  47
 None
None
UNL  A 401 ( 3.2A)
UNL  A 401 ( 3.7A)
None
 1.07A 2qx4A-4yleA:
2.1
2qx4B-4yleA:
4.3		 2qx4A-4yleA:
22.52
2qx4B-4yleA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a3k PUTATIVE
PTERIDINE-DEPENDENT
DIOXYGENASE

(Streptomyces
hygroscopicus) 		no annotation 4 GLY A 153
THR A 107
PHE A 158
PHE A 168
 None
 1.20A 2qx4A-5a3kA:
undetectable
2qx4B-5a3kA:
undetectable		 2qx4A-5a3kA:
20.46
2qx4B-5a3kA:
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.
5a7m BETA-XYLOSIDASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 GLY A 158
GLN A 240
PHE A 241
PHE A 208
 None
 1.21A 2qx4A-5a7mA:
5.7
2qx4B-5a7mA:
5.8		 2qx4A-5a7mA:
15.17
2qx4B-5a7mA:
15.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a7m BETA-XYLOSIDASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 GLY A 158
THR A 170
GLN A 240
PHE A 241
 None
 1.21A 2qx4A-5a7mA:
5.7
2qx4B-5a7mA:
5.8		 2qx4A-5a7mA:
15.17
2qx4B-5a7mA:
15.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e6k POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 GLY A 336
THR A 369
PHE A 381
PHE A 379
 None
 1.12A 2qx4A-5e6kA:
undetectable
2qx4B-5e6kA:
undetectable		 2qx4A-5e6kA:
16.61
2qx4B-5e6kA:
16.61
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.
5eny POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 GLY A 336
THR A 369
PHE A 381
PHE A 379
 None
 1.01A 2qx4A-5enyA:
undetectable
2qx4B-5enyA:
undetectable		 2qx4A-5enyA:
14.65
2qx4B-5enyA:
14.65
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.
5esr HALOALKANE
DEHALOGENASE

(Caulobacter
vibrioides) 		PF00561
(Abhydrolase_1) 		4 GLY A 126
THR A 148
PHE A 241
PHE A 237
 None
 1.12A 2qx4A-5esrA:
3.1
2qx4B-5esrA:
3.2		 2qx4A-5esrA:
24.34
2qx4B-5esrA:
24.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5euf PROTEASE

(Helicobacter
pylori) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 GLY A 280
THR A 438
PHE A 176
PHE A 113
 None
 1.20A 2qx4A-5eufA:
undetectable
2qx4B-5eufA:
undetectable		 2qx4A-5eufA:
21.17
2qx4B-5eufA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hqj PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Paraburkholderia
graminis) 		PF13407
(Peripla_BP_4) 		4 GLY A 131
THR A 298
GLN A 269
PHE A  44
 None
None
64K  A 401 (-2.8A)
64K  A 401 ( 4.2A)
 1.07A 2qx4A-5hqjA:
2.5
2qx4B-5hqjA:
4.7		 2qx4A-5hqjA:
20.75
2qx4B-5hqjA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hqj PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Paraburkholderia
graminis) 		PF13407
(Peripla_BP_4) 		4 GLY A 131
THR A 298
PHE A  43
PHE A  44
 None
None
64K  A 401 ( 2.8A)
64K  A 401 ( 4.2A)
 1.18A 2qx4A-5hqjA:
2.5
2qx4B-5hqjA:
4.7		 2qx4A-5hqjA:
20.75
2qx4B-5hqjA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hsg PUTATIVE ABC
TRANSPORTER,
NUCLEOTIDE
BINDING/ATPASE
PROTEIN

(Klebsiella
pneumoniae) 		PF13407
(Peripla_BP_4) 		4 GLY A 133
GLN A 271
PHE A  46
PHE A  47
 None
 0.99A 2qx4A-5hsgA:
4.2
2qx4B-5hsgA:
4.4		 2qx4A-5hsgA:
21.50
2qx4B-5hsgA:
21.50
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.
5i4q CONTACT-DEPENDENT
INHIBITOR I

(Escherichia
coli) 		no annotation 4 GLY B  40
THR B  42
PHE B  51
PHE B  55
 None
 1.17A 2qx4A-5i4qB:
undetectable
2qx4B-5i4qB:
undetectable		 2qx4A-5i4qB:
18.26
2qx4B-5i4qB:
18.26
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.
5i98 FK506-BINDING
PROTEIN 1

(Candida
albicans) 		PF00254
(FKBP_C) 		4 TRP A  63
GLY A  55
THR A  68
PHE A  50
 None
 1.12A 2qx4A-5i98A:
undetectable
2qx4B-5i98A:
undetectable		 2qx4A-5i98A:
18.97
2qx4B-5i98A:
18.97
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.
5ikj CRYPTIC LOCI
REGULATOR 2

(Schizosaccharomyces
pombe) 		PF10383
(Clr2)
PF16761
(Clr2_transil) 		4 GLY A 374
THR A 322
PHE A 477
PHE A 416
 None
 1.22A 2qx4A-5ikjA:
undetectable
2qx4B-5ikjA:
undetectable		 2qx4A-5ikjA:
17.64
2qx4B-5ikjA:
17.64
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.
5ixp EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Kribbella
flavida) 		PF13416
(SBP_bac_8) 		4 GLY A 153
THR A 338
PHE A  55
PHE A  52
 None
 1.13A 2qx4A-5ixpA:
undetectable
2qx4B-5ixpA:
undetectable		 2qx4A-5ixpA:
22.77
2qx4B-5ixpA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mvd DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL

(Homo sapiens) 		PF01180
(DHO_dh) 		4 GLY A 332
GLN A 354
PHE A 115
PHE A  88
 None
 1.02A 2qx4A-5mvdA:
undetectable
2qx4B-5mvdA:
undetectable		 2qx4A-5mvdA:
20.81
2qx4B-5mvdA:
20.81
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.
5oie -

(-) 		no annotation 4 GLY A 303
THR A 298
GLN A 323
PHE A 388
 None
 1.21A 2qx4A-5oieA:
undetectable
2qx4B-5oieA:
undetectable		 2qx4A-5oieA:
undetectable
2qx4B-5oieA:
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.
5u8s CELL DIVISION
CONTROL PROTEIN 45

(Saccharomyces
cerevisiae) 		PF02724
(CDC45) 		4 GLY E 153
THR E 151
GLN E 155
PHE E 135
 None
 1.16A 2qx4A-5u8sE:
4.4
2qx4B-5u8sE:
4.5		 2qx4A-5u8sE:
17.21
2qx4B-5u8sE:
17.21
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.
5v6p ERAD-ASSOCIATED E3
UBIQUITIN-PROTEIN
LIGASE HRD1

(Saccharomyces
cerevisiae) 		no annotation 4 GLY A 112
THR A  93
GLN A 189
PHE A 193
 None
 1.09A 2qx4A-5v6pA:
undetectable
2qx4B-5v6pA:
undetectable		 2qx4A-5v6pA:
19.66
2qx4B-5v6pA:
19.66
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.
5xbl CRISPR-ASSOCIATED
ENDONUCLEASE
CAS9/CSN1

(Streptococcus
pyogenes) 		PF13395
(HNH_4)
PF16592
(Cas9_REC)
PF16593
(Cas9-BH)
PF16595
(Cas9_PI) 		4 GLY A 994
THR A 995
PHE A1046
PHE A 970
 None
 1.10A 2qx4A-5xblA:
undetectable
2qx4B-5xblA:
undetectable		 2qx4A-5xblA:
9.93
2qx4B-5xblA:
9.93
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.
5xwz UNPLACED GENOMIC
SCAFFOLD
SUPERCONT1.36, WHOLE
GENOME SHOTGUN
SEQUENCE

(Cladophialophora
bantiana) 		no annotation 4 GLY A  37
CYH A  39
PHE A  42
PHE A 253
 None
 1.22A 2qx4A-5xwzA:
undetectable
2qx4B-5xwzA:
undetectable		 2qx4A-5xwzA:
17.04
2qx4B-5xwzA:
17.04
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.
6c6k INTERFERON-INDUCED
PROTEIN WITH
TETRATRICOPEPTIDE
REPEATS 1

(Homo sapiens) 		no annotation 4 GLY A 356
GLN A 393
PHE A 389
PHE A 365
 None
 1.08A 2qx4A-6c6kA:
undetectable
2qx4B-6c6kA:
undetectable		 2qx4A-6c6kA:
16.44
2qx4B-6c6kA:
16.44
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.
6cet GATOR COMPLEX
PROTEIN NPRL3

(Homo sapiens) 		no annotation 4 GLY M 448
THR M 535
PHE M 544
PHE M 520
 None
 1.20A 2qx4A-6cetM:
undetectable
2qx4B-6cetM:
undetectable		 2qx4A-6cetM:
15.56
2qx4B-6cetM:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6din DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE

(Pseudomonas
aeruginosa) 		no annotation 4 GLY A  70
THR A 134
PHE A  35
PHE A  14
 None
 1.23A 2qx4A-6dinA:
undetectable
2qx4B-6dinA:
undetectable		 2qx4A-6dinA:
20.61
2qx4B-6dinA:
20.61