SIMILAR PATTERNS OF AMINO ACIDS FOR 4QWP_B_GCSB307_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.
1dkg MOLECULAR CHAPERONE
DNAK

(Escherichia
coli) 		PF00012
(HSP70) 		4 GLU D 171
THR D  11
GLY D  10
THR D  12
 None
 0.96A 4qwpB-1dkgD:
undetectable		 4qwpB-1dkgD:
22.90
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.
1e8c UDP-N-ACETYLMURAMOYL
ALANYL-D-GLUTAMATE--
2,6-DIAMINOPIMELATE
LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 GLU A 468
THR A 142
THR A 157
HIS A 359
 API  A1499 (-3.1A)
None
UAG  A1498 (-3.9A)
API  A1499 (-3.7A)
 0.91A 4qwpB-1e8cA:
undetectable		 4qwpB-1e8cA:
21.08
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.
1fsu N-ACETYLGALACTOSAMIN
E-4-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase) 		4 GLU A 201
ARG A 159
GLY A 199
THR A 158
 None
 0.92A 4qwpB-1fsuA:
0.0		 4qwpB-1fsuA:
20.29
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.
1fui L-FUCOSE ISOMERASE

(Escherichia
coli) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		4 THR A 353
GLY A 349
THR A 355
VAL A 530
 None
 1.01A 4qwpB-1fuiA:
0.0		 4qwpB-1fuiA:
16.99
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.
1hcy ARTHROPODAN
HEMOCYANIN

(Panulirus
interruptus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 ARG A 620
THR A 477
GLY A 589
THR A 587
 None
 0.93A 4qwpB-1hcyA:
undetectable		 4qwpB-1hcyA:
15.92
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.
1hjo PROTEIN (HEAT-SHOCK
70KD PROTEIN)

(Homo sapiens) 		PF00012
(HSP70) 		4 GLU A 175
THR A  13
GLY A  12
THR A  14
 None
None
ADP  A 383 (-3.5A)
ADP  A 383 (-2.9A)
 0.96A 4qwpB-1hjoA:
undetectable		 4qwpB-1hjoA:
23.22
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.
1hr7 MITOCHONDRIAL
PROCESSING PEPTIDASE
BETA SUBUNIT

(Saccharomyces
cerevisiae) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 GLU B  61
THR B 103
GLY B  57
THR B 108
 None
 0.92A 4qwpB-1hr7B:
0.0		 4qwpB-1hr7B:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j0h NEOPULLULANASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		4 ARG A 504
THR A 450
GLY A 451
VAL A 132
 None
 0.99A 4qwpB-1j0hA:
undetectable		 4qwpB-1j0hA:
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.
1kp2 ARGININOSUCCINATE
SYNTHETASE

(Escherichia
coli) 		PF00764
(Arginosuc_synth) 		4 THR A  92
GLY A  95
THR A  97
HIS A 320
 None
 0.71A 4qwpB-1kp2A:
0.0		 4qwpB-1kp2A:
21.60
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.
1m7j D-AMINOACYLASE

(Alcaligenes
faecalis) 		PF07969
(Amidohydro_3) 		4 ARG A 418
THR A  89
GLY A  62
VAL A 421
 None
 0.99A 4qwpB-1m7jA:
undetectable		 4qwpB-1m7jA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n8y PROTOONCOPROTEIN

(Rattus
norvegicus) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		4 ARG C  81
GLY C  60
THR C  83
VAL C  34
 None
 0.99A 4qwpB-1n8yC:
undetectable		 4qwpB-1n8yC:
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.
1qgi PROTEIN
(CHITOSANASE)

(Bacillus
circulans) 		PF01374
(Glyco_hydro_46) 		4 ARG A  57
THR A  60
GLY A  65
THR A  67
 GCS  A 600 (-3.7A)
GCS  A 601 ( 4.1A)
GCS  A 601 ( 4.6A)
None
 0.46A 4qwpB-1qgiA:
21.1		 4qwpB-1qgiA:
27.31
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.
1qi9 PROTEIN (VANADIUM
BROMOPEROXIDASE)

(Ascophyllum
nodosum) 		no annotation 4 GLY A 100
THR A 410
VAL A  91
HIS A  60
 None
 0.91A 4qwpB-1qi9A:
0.9		 4qwpB-1qi9A:
18.64
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.
1sma MALTOGENIC AMYLASE

(Thermus sp.
IM6501) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		4 ARG A 504
THR A 450
GLY A 451
VAL A 132
 None
 1.00A 4qwpB-1smaA:
undetectable		 4qwpB-1smaA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wfx PROBABLE RNA
2'-PHOSPHOTRANSFERAS
E

(Aeropyrum
pernix) 		PF01885
(PTS_2-RNA) 		4 ARG A  26
THR A  25
GLY A  28
VAL A  83
 None
 0.92A 4qwpB-1wfxA:
undetectable		 4qwpB-1wfxA:
20.95
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.
1xjt LYSOZYME

(Escherichia
virus P1) 		PF00959
(Phage_lysozyme) 		4 GLU A  42
THR A  57
GLY A  61
THR A  63
 None
 0.87A 4qwpB-1xjtA:
4.3		 4qwpB-1xjtA:
22.86
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.
2c4x ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF00801
(PKD) 		4 GLU A 218
THR A 215
GLY A 160
THR A 162
 None
 0.88A 4qwpB-2c4xA:
undetectable		 4qwpB-2c4xA:
21.61
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.
2fhe GLUTATHIONE
S-TRANSFERASE

(Fasciola
hepatica) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 THR A  83
GLY A  82
THR A  84
VAL A  91
 None
 0.94A 4qwpB-2fheA:
undetectable		 4qwpB-2fheA:
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.
2fmt METHIONYL-TRNA FMET
FORMYLTRANSFERASE

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF02911
(Formyl_trans_C) 		4 THR A 181
GLY A 178
THR A 182
VAL A 136
 None
 0.76A 4qwpB-2fmtA:
undetectable		 4qwpB-2fmtA:
23.97
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.
2g2c PUTATIVE MOLYBDENUM
COFACTOR
BIOSYNTHESIS PROTEIN

(Corynebacterium
diphtheriae) 		PF00994
(MoCF_biosynth) 		4 THR A  76
GLY A 119
THR A  84
VAL A 121
 NA  A 301 (-3.3A)
None
None
None
 0.97A 4qwpB-2g2cA:
undetectable		 4qwpB-2g2cA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2is5 HYPOTHETICAL PROTEIN

(Neisseria
meningitidis) 		PF05838
(Glyco_hydro_108)
PF09374
(PG_binding_3) 		4 THR A  30
GLY A  33
THR A  35
VAL A  86
 None
 0.81A 4qwpB-2is5A:
8.4		 4qwpB-2is5A:
24.23
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.
2iyf OLEANDOMYCIN
GLYCOSYLTRANSFERASE

(Streptomyces
antibioticus) 		PF00201
(UDPGT) 		4 GLU A 313
THR A 317
GLY A 314
THR A 319
 UDP  A1401 (-2.7A)
None
None
None
 0.93A 4qwpB-2iyfA:
undetectable		 4qwpB-2iyfA:
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.
2ogj DIHYDROOROTASE

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		4 ARG A 128
THR A 101
GLY A  72
THR A 102
 None
 0.95A 4qwpB-2ogjA:
undetectable		 4qwpB-2ogjA:
22.51
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.
2q09 IMIDAZOLONEPROPIONAS
E

(unidentified) 		PF01979
(Amidohydro_1) 		4 ARG A 168
THR A 136
GLY A  67
THR A 137
 None
 0.98A 4qwpB-2q09A:
undetectable		 4qwpB-2q09A:
24.42
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.
2q7s N-FORMYLGLUTAMATE
AMIDOHYDROLASE

(Cupriavidus
pinatubonensis) 		PF05013
(FGase) 		4 ARG A 197
THR A 200
GLY A 199
THR A 201
 None
 0.99A 4qwpB-2q7sA:
undetectable		 4qwpB-2q7sA:
23.05
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.
2qgn TRNA
DELTA(2)-ISOPENTENYL
PYROPHOSPHATE
TRANSFERASE

(Bacillus
halodurans) 		PF01715
(IPPT) 		4 ARG A  91
GLY A  29
VAL A  58
HIS A  61
 None
 0.96A 4qwpB-2qgnA:
undetectable		 4qwpB-2qgnA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qs8 XAA-PRO DIPEPTIDASE

(Alteromonas
macleodii) 		PF01979
(Amidohydro_1) 		4 ARG A 136
THR A 108
GLY A  64
THR A 109
 None
 0.92A 4qwpB-2qs8A:
undetectable		 4qwpB-2qs8A:
22.72
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.
2v7z HEAT SHOCK COGNATE
71 KDA PROTEIN

(Rattus
norvegicus) 		PF00012
(HSP70) 		4 GLU A 175
THR A  13
GLY A  12
THR A  14
 PO4  A1384 (-2.4A)
PO4  A1384 (-4.0A)
PO4  A1384 (-3.3A)
ADP  A1383 (-3.7A)
 0.91A 4qwpB-2v7zA:
undetectable		 4qwpB-2v7zA:
19.52
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.
2x8w METHYLGLYOXAL
SYNTHASE

(Thermus sp. GH5) 		PF02142
(MGS) 		4 THR A  37
GLY A  36
THR A  38
HIS A  88
 MLI  A1126 (-3.9A)
MLI  A1126 ( 4.6A)
MLI  A1126 (-3.6A)
MLI  A1126 (-4.1A)
 0.97A 4qwpB-2x8wA:
undetectable		 4qwpB-2x8wA:
20.90
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.
2z6b BASEPLATE STRUCTURAL
PROTEIN GP27

(Escherichia
virus T4) 		PF09096
(Phage-tail_2)
PF09097
(Phage-tail_1) 		4 GLU D 108
ARG D  41
THR D  39
GLY D  50
 None
 0.85A 4qwpB-2z6bD:
undetectable		 4qwpB-2z6bD:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a52 COLD-ACTIVE ALKALINE
PHOSPHATASE

(Shewanella sp.
AP1) 		PF00245
(Alk_phosphatase) 		4 THR A 358
GLY A 274
THR A 359
VAL A 365
 None
None
None
MG  A1007 (-3.7A)
 0.99A 4qwpB-3a52A:
undetectable		 4qwpB-3a52A:
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.
3anv D-SERINE DEHYDRATASE

(Gallus gallus) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		4 THR A 197
THR A 196
VAL A 173
HIS A 239
 None
None
None
PLP  A 401 (-4.4A)
 0.98A 4qwpB-3anvA:
undetectable		 4qwpB-3anvA:
20.31
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.
3asa LL-DIAMINOPIMELATE
AMINOTRANSFERASE

(Chlamydia
trachomatis) 		PF00155
(Aminotran_1_2) 		4 THR A 178
GLY A 321
THR A 176
VAL A 319
 None
 1.00A 4qwpB-3asaA:
undetectable		 4qwpB-3asaA:
21.29
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.
3b8y ENDO-PECTATE LYASE

(Dickeya
chrysanthemi) 		PF03211
(Pectate_lyase) 		4 GLU A  61
THR A  53
GLY A  52
THR A  54
 None
 0.85A 4qwpB-3b8yA:
undetectable		 4qwpB-3b8yA:
20.80
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.
3bxh CENTRAL GLYCOLYTIC
GENE REGULATOR

(Bacillus
subtilis) 		PF04198
(Sugar-bind) 		4 GLU A 180
THR A 151
GLY A 150
THR A 152
 F6P  A 401 (-3.3A)
F6P  A 401 (-2.9A)
F6P  A 401 (-3.5A)
F6P  A 401 (-3.5A)
 0.90A 4qwpB-3bxhA:
undetectable		 4qwpB-3bxhA:
22.65
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.
3d23 3C-LIKE PROTEINASE

(Human
coronavirus
HKU1) 		no annotation 4 THR B 129
GLY B 109
THR B 111
VAL B 202
 None
 0.89A 4qwpB-3d23B:
undetectable		 4qwpB-3d23B:
20.19
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.
3fe1 HEAT SHOCK 70 KDA
PROTEIN 6

(Homo sapiens) 		PF00012
(HSP70) 		4 GLU A 177
THR A  15
GLY A  14
THR A  16
 PO4  A 387 (-2.9A)
PO4  A 387 ( 3.4A)
PO4  A 387 (-3.1A)
ADP  A 386 (-3.4A)
 0.93A 4qwpB-3fe1A:
undetectable		 4qwpB-3fe1A:
22.87
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.
3gb0 PEPTIDASE T

(Bacillus cereus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 THR A 101
GLY A 100
THR A 102
VAL A  97
 None
 0.92A 4qwpB-3gb0A:
undetectable		 4qwpB-3gb0A:
21.43
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.
3gl1 HEAT SHOCK PROTEIN
SSB1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		4 GLU A 177
THR A  16
GLY A  15
THR A  17
 CL  A 710 ( 4.2A)
CL  A 710 ( 4.0A)
CL  A 710 ( 4.0A)
CL  A 707 (-3.5A)
 0.89A 4qwpB-3gl1A:
undetectable		 4qwpB-3gl1A:
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.
3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN I

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 GLU A  48
THR A  90
GLY A  44
THR A  95
 None
 0.99A 4qwpB-3h1lA:
undetectable		 4qwpB-3h1lA:
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.
3h3b RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2

(Homo sapiens) 		PF01030
(Recep_L_domain) 		4 ARG A  81
GLY A  60
THR A  83
VAL A  34
 None
 0.97A 4qwpB-3h3bA:
undetectable		 4qwpB-3h3bA:
21.32
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.
3hde LYSOZYME

(Escherichia
virus Lambda) 		PF00959
(Phage_lysozyme) 		4 GLU A  35
THR A  50
GLY A  54
THR A  56
 None
 0.88A 4qwpB-3hdeA:
2.0		 4qwpB-3hdeA:
22.22
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.
3hdi PROCESSING PROTEASE

(Bacillus
halodurans) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 GLU A  37
THR A  79
GLY A  33
THR A  84
 None
 0.93A 4qwpB-3hdiA:
undetectable		 4qwpB-3hdiA:
18.99
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.
3hdj PROBABLE ORNITHINE
CYCLODEAMINASE

(Bordetella
pertussis) 		PF02423
(OCD_Mu_crystall) 		4 GLU A 233
THR A 102
THR A  98
VAL A 286
 None
 0.98A 4qwpB-3hdjA:
undetectable		 4qwpB-3hdjA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 ARG A 176
THR A 148
GLY A  88
THR A 149
 None
 0.99A 4qwpB-3hpaA:
undetectable		 4qwpB-3hpaA:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hz6 XYLULOKINASE

(Chromobacterium
violaceum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 THR A  12
GLY A  11
THR A  13
HIS A 260
 GOL  A 513 (-4.1A)
None
None
None
 0.78A 4qwpB-3hz6A:
undetectable		 4qwpB-3hz6A:
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.
3i3a ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Leptospira
interrogans) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		4 THR A 104
GLY A  97
THR A  80
HIS A 117
 None
None
None
S2N  A 260 (-3.9A)
 0.92A 4qwpB-3i3aA:
undetectable		 4qwpB-3i3aA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4u ATP-DEPENDENT RNA
HELICASE DHX8

(Homo sapiens) 		PF04408
(HA2)
PF07717
(OB_NTP_bind) 		4 ARG A 975
THR A 974
GLY A 977
HIS A 998
 BR  A   1 (-4.5A)
None
None
BR  A   1 (-4.2A)
 0.73A 4qwpB-3i4uA:
undetectable		 4qwpB-3i4uA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ipl 2-SUCCINYLBENZOATE--
COA LIGASE

(Staphylococcus
aureus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 THR A 172
GLY A 171
THR A 173
HIS A 213
 None
 1.01A 4qwpB-3iplA:
undetectable		 4qwpB-3iplA:
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.
3l4i HEAT SHOCK 70
(HSP70) PROTEIN

(Cryptosporidium
parvum) 		PF00012
(HSP70) 		4 GLU A 191
THR A  28
GLY A  27
THR A  29
 PO4  A 402 (-3.0A)
PO4  A 402 ( 3.3A)
PO4  A 402 ( 3.0A)
ADP  A 401 (-3.5A)
 0.95A 4qwpB-3l4iA:
undetectable		 4qwpB-3l4iA:
21.99
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.
3ldo 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		4 GLU A 201
THR A  37
GLY A  36
THR A  38
 None
ANP  A 408 (-3.4A)
ANP  A 408 (-3.2A)
ANP  A 408 (-2.8A)
 0.95A 4qwpB-3ldoA:
undetectable		 4qwpB-3ldoA:
23.00
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.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLU A 279
THR A 312
GLY A 256
THR A 310
VAL A 277
 NAD  A 550 (-2.8A)
NAD  A 550 (-4.0A)
NAD  A 550 (-3.6A)
None
None
 1.42A 4qwpB-3n58A:
undetectable		 4qwpB-3n58A:
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.
3oib ACYL-COA
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 GLU A 350
THR A 388
GLY A 382
THR A 387
 None
None
None
FDA  A 518 (-2.9A)
 0.80A 4qwpB-3oibA:
2.1		 4qwpB-3oibA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pxg NEGATIVE REGULATOR
OF GENETIC
COMPETENCE CLPC/MECB

(Bacillus
subtilis) 		PF00004
(AAA)
PF02151
(UVR)
PF02861
(Clp_N) 		4 GLU A 106
ARG A   9
THR A   7
GLY A 104
 None
 0.70A 4qwpB-3pxgA:
undetectable		 4qwpB-3pxgA:
19.87
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.
3pxi NEGATIVE REGULATOR
OF GENETIC
COMPETENCE CLPC/MECB

(Bacillus
subtilis) 		PF00004
(AAA)
PF02151
(UVR)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 GLU A 106
ARG A   9
THR A   7
GLY A 104
 None
 0.69A 4qwpB-3pxiA:
undetectable		 4qwpB-3pxiA:
16.49
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.
3py6 BETA-LACTAMASE-LIKE

(Brucella
abortus) 		PF12706
(Lactamase_B_2) 		4 THR A 240
GLY A 209
VAL A 189
HIS A  91
 None
None
None
MN  A 300 (-3.4A)
 0.92A 4qwpB-3py6A:
undetectable		 4qwpB-3py6A:
24.33
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.
3qml 78 KDA
GLUCOSE-REGULATED
PROTEIN HOMOLOG

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		4 GLU A 221
THR A  59
GLY A  58
THR A  60
 None
PO4  A   2 (-4.0A)
PO4  A   2 ( 3.7A)
PO4  A   2 (-3.0A)
 0.92A 4qwpB-3qmlA:
undetectable		 4qwpB-3qmlA:
23.56
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.
3rfq PTERIN-4-ALPHA-CARBI
NOLAMINE DEHYDRATASE
MOAB2

(Mycobacterium
marinum) 		PF00994
(MoCF_biosynth) 		4 THR A  94
GLY A 138
THR A 102
VAL A 149
 None
 0.94A 4qwpB-3rfqA:
undetectable		 4qwpB-3rfqA:
24.60
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.
3rmj 2-ISOPROPYLMALATE
SYNTHASE

(Neisseria
meningitidis) 		PF00682
(HMGL-like) 		4 THR A 230
GLY A  17
THR A  12
HIS A 206
 None
None
None
MN  A 365 (-3.4A)
 0.93A 4qwpB-3rmjA:
undetectable		 4qwpB-3rmjA:
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.
3t33 G PROTEIN COUPLED
RECEPTOR

(Arabidopsis
thaliana) 		PF05147
(LANC_like) 		4 GLU A 164
ARG A 118
THR A 120
GLY A 168
 None
 0.82A 4qwpB-3t33A:
undetectable		 4qwpB-3t33A:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN

(Sphingomonas
sp. SKA58) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 THR A 127
GLY A 126
THR A 128
VAL A 135
 None
 0.88A 4qwpB-3thuA:
undetectable		 4qwpB-3thuA:
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.
3u7u RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		4 ARG A  81
GLY A  60
THR A  83
VAL A  34
 None
 1.00A 4qwpB-3u7uA:
undetectable		 4qwpB-3u7uA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vps NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Streptomyces
chartreusis) 		PF01370
(Epimerase) 		4 GLU A 179
THR A 298
GLY A 176
VAL A 174
 NAD  A 401 ( 4.3A)
None
None
NAD  A 401 (-3.9A)
 0.92A 4qwpB-3vpsA:
undetectable		 4qwpB-3vpsA:
22.70
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.
4a0w T-COMPLEX PROTEIN 1
SUBUNIT BETA

(Bos taurus) 		PF00118
(Cpn60_TCP1) 		4 GLU A 317
THR A 314
GLY A 316
HIS A 272
 None
 0.88A 4qwpB-4a0wA:
undetectable		 4qwpB-4a0wA:
20.55
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.
4arr TOLL RECEPTOR,
VARIABLE LYMPHOCYTE
RECEPTOR B.61
CHIMERA

(Drosophila
melanogaster;
Eptatretus
burgeri) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		4 ARG A 101
THR A 128
THR A 129
VAL A  75
 None
None
I3C  A1300 (-4.4A)
None
 0.98A 4qwpB-4arrA:
undetectable		 4qwpB-4arrA:
18.40
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.
4atb INTERLEUKIN
ENHANCER-BINDING
FACTOR 3

(Mus musculus) 		PF07528
(DZF) 		4 ARG B  40
THR B 363
THR B 364
VAL B  35
 None
 0.92A 4qwpB-4atbB:
undetectable		 4qwpB-4atbB:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4axk 1-(5-PHOSPHORIBOSYL)
-5-((5'-PHOSPHORIBOS
YLAMINO)
METHYLIDENEAMINO)IMI
DAZOLE-4-CARBOXAMIDE
ISOMERASE

(Corynebacterium
efficiens) 		PF00977
(His_biosynth) 		4 GLY A 200
THR A 169
VAL A 222
HIS A  49
 None
 1.01A 4qwpB-4axkA:
undetectable		 4qwpB-4axkA:
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.
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 GLU A 460
THR A 137
THR A 152
HIS A 353
 UML  A 598 (-3.1A)
MG  A 503 (-3.3A)
UML  A 598 (-4.0A)
UML  A 598 ( 3.9A)
 0.79A 4qwpB-4c13A:
undetectable		 4qwpB-4c13A:
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.
4cot EXTRACELLULAR
ENDO-ALPHA-(1->5)-L-
ARABINANASE 2

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 GLU A 224
ARG A 337
GLY A 245
HIS A  37
 TRS  A1471 (-2.1A)
None
None
TRS  A1471 (-4.4A)
 1.01A 4qwpB-4cotA:
undetectable		 4qwpB-4cotA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eyg TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		4 GLY A 229
THR A  46
VAL A 226
HIS A 276
 None
VNL  A 401 (-3.9A)
None
None
 0.96A 4qwpB-4eygA:
undetectable		 4qwpB-4eygA:
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.
4f0s 5-METHYLTHIOADENOSIN
E/S-ADENOSYLHOMOCYST
EINE DEAMINASE

(Chromobacterium
violaceum) 		PF01979
(Amidohydro_1) 		4 ARG A 147
THR A 125
GLY A  65
THR A 126
 None
 0.97A 4qwpB-4f0sA:
undetectable		 4qwpB-4f0sA:
21.23
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.
4hwi HEAT SHOCK COGNATE
71 KDA PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		4 GLU A 175
THR A  13
GLY A  12
THR A  14
 None
 0.99A 4qwpB-4hwiA:
undetectable		 4qwpB-4hwiA:
21.32
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.
4isy CYSTEINE DESULFURASE

(Mycobacterium
tuberculosis) 		PF00266
(Aminotran_5) 		4 THR A 123
GLY A 127
VAL A 156
HIS A 338
 None
 0.93A 4qwpB-4isyA:
undetectable		 4qwpB-4isyA:
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.
4j8f HEAT SHOCK 70 KDA
PROTEIN 1A/1B,
HSC70-INTERACTING
PROTEIN

(Homo sapiens;
Rattus
norvegicus) 		PF00012
(HSP70) 		4 GLU A 175
THR A  13
GLY A  12
THR A  14
 PO4  A 603 (-2.9A)
PO4  A 603 ( 3.4A)
PO4  A 603 (-3.3A)
ADP  A 601 (-3.3A)
 0.88A 4qwpB-4j8fA:
undetectable		 4qwpB-4j8fA:
20.22
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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH

(Vibrio
parahaemolyticus) 		PF02386
(TrkH) 		4 GLY A 327
THR A 324
VAL A 445
HIS A 448
 None
 0.92A 4qwpB-4j9uA:
undetectable		 4qwpB-4j9uA:
21.33
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.
4kbo STRESS-70 PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF00012
(HSP70) 		4 GLU A 222
THR A  62
GLY A  61
THR A  63
 NA  A 501 ( 4.2A)
NA  A 501 (-4.1A)
NA  A 501 ( 3.8A)
None
 1.00A 4qwpB-4kboA:
undetectable		 4qwpB-4kboA:
22.42
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.
4mee DIFFUSE ADHERENCE
ADHESIN

(Escherichia
coli) 		PF03797
(Autotransporter) 		4 GLU A1152
THR A1150
GLY A1151
THR A1144
 None
 0.99A 4qwpB-4meeA:
undetectable		 4qwpB-4meeA:
20.55
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.
4nnz PROBABLE ZINC
PROTEASE

(Pseudomonas
aeruginosa) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 GLU A  42
THR A  84
GLY A  38
THR A  89
 None
 0.95A 4qwpB-4nnzA:
undetectable		 4qwpB-4nnzA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pws PROLINE-RICH 28 KDA
ANTIGEN

(Mycobacterium
tuberculosis) 		PF10738
(Lpp-LpqN) 		4 GLU A 220
ARG A 229
THR A 248
THR A 227
 None
 0.81A 4qwpB-4pwsA:
undetectable		 4qwpB-4pwsA:
23.51
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.
4rtf CHAPERONE PROTEIN
DNAK

(Mycobacterium
tuberculosis) 		PF00012
(HSP70) 		4 GLU D 147
THR D  11
GLY D  10
THR D  12
 ATP  D 601 (-2.6A)
ATP  D 601 (-3.3A)
ATP  D 601 (-3.0A)
None
 0.90A 4qwpB-4rtfD:
undetectable		 4qwpB-4rtfD:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ut6 BROADLY NEUTRALIZING
HUMAN ANTIBODY EDE2
B7

(Homo sapiens) 		PF07686
(V-set) 		4 THR H  51
GLY H  54
THR H  57
HIS H  81
 None
 0.98A 4qwpB-4ut6H:
undetectable		 4qwpB-4ut6H:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v1y ATRAZINE
CHLOROHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		4 ARG A 149
THR A 121
GLY A  61
THR A 122
 None
 0.98A 4qwpB-4v1yA:
undetectable		 4qwpB-4v1yA:
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.
4w7v CELLULASE

(Xanthomonas
citri) 		PF00150
(Cellulase) 		4 GLU A 202
THR A 277
GLY A 245
HIS A  90
 None
None
None
CBI  A 402 ( 4.7A)
 1.00A 4qwpB-4w7vA:
undetectable		 4qwpB-4w7vA:
22.19
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.
4zxz LEVOGLUCOSAN KINASE

(Lipomyces
starkeyi) 		PF03702
(AnmK) 		4 ARG A 153
THR A 133
GLY A 114
THR A 116
 None
 0.98A 4qwpB-4zxzA:
undetectable		 4qwpB-4zxzA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b3j FAB, HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 THR E 117
GLY E  10
THR E 119
HIS E 208
 None
 1.00A 4qwpB-5b3jE:
undetectable		 4qwpB-5b3jE:
20.69
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.
5b4s CHITOSANASE

(Mitsuaria
chitosanitabida) 		PF13647
(Glyco_hydro_80) 		4 ARG A  70
THR A  73
GLY A  78
THR A  80
 None
 0.28A 4qwpB-5b4sA:
15.2		 4qwpB-5b4sA:
22.22
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.
5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		4 GLU A 201
THR A  37
GLY A  36
THR A  38
 ZN  A 806 ( 2.6A)
ATP  A 801 (-4.0A)
ATP  A 801 (-3.2A)
ATP  A 801 (-3.5A)
 0.90A 4qwpB-5e84A:
2.2		 4qwpB-5e84A:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fqe BETA-N-ACETYLGALACTO
SAMINIDASE

(Clostridium
perfringens) 		PF13320
(DUF4091) 		4 GLU A 440
ARG A 458
THR A 444
GLY A 441
 None
 0.93A 4qwpB-5fqeA:
0.5		 4qwpB-5fqeA:
17.84
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.
5ja1 ENTEROBACTIN
BIOSYNTHESIS PROTEIN
YBDZ
ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF03621
(MbtH)
PF13193
(AMP-binding_C) 		4 THR B  66
GLY A 505
THR B  63
VAL A 502
 None
 0.98A 4qwpB-5ja1B:
undetectable		 4qwpB-5ja1B:
14.48
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.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT

(Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B) 		4 GLY A  64
THR A  84
VAL A 147
HIS A 123
 None
None
None
HG  A 701 (-3.3A)
 0.83A 4qwpB-5l9wA:
undetectable		 4qwpB-5l9wA:
18.54
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.
5nb5 DESIGN OF ANTIBODIES

(Escherichia
coli) 		PF07654
(C1-set)
PF07686
(V-set) 		4 THR H 111
GLY H  10
THR H 113
HIS H 203
 None
 0.91A 4qwpB-5nb5H:
undetectable		 4qwpB-5nb5H:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5obu CHAPERONE PROTEIN
DNAK

(Mycoplasma
genitalium) 		no annotation 4 GLU A 154
THR A  15
GLY A  14
THR A  16
 None
ANP  A 602 (-3.5A)
ANP  A 602 (-3.4A)
ANP  A 602 (-3.5A)
 0.99A 4qwpB-5obuA:
undetectable		 4qwpB-5obuA:
13.71
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.
5obw CHAPERONE PROTEIN
DNAK

(Mycoplasma
genitalium) 		no annotation 4 GLU A 154
THR A  15
GLY A  14
THR A  16
 PO4  A 403 (-2.9A)
GOL  A 410 (-2.9A)
PO4  A 403 ( 3.2A)
ADP  A 402 (-3.8A)
 0.98A 4qwpB-5obwA:
undetectable		 4qwpB-5obwA:
13.71
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.
5tky PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		4 GLU A 178
THR A  16
GLY A  15
THR A  17
 MG  A 701 ( 3.7A)
ATP  A 700 (-3.7A)
ATP  A 700 (-3.1A)
ATP  A 700 (-3.5A)
 0.90A 4qwpB-5tkyA:
undetectable		 4qwpB-5tkyA:
17.63
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.
5ywz SUN
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus) 		no annotation 4 THR A 818
GLY A 909
THR A 819
VAL A 743
 None
 0.82A 4qwpB-5ywzA:
undetectable		 4qwpB-5ywzA:
17.62
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.
5zal ENDORIBONUCLEASE
DICER

(Homo sapiens) 		no annotation 4 GLU A1313
ARG A1855
THR A1733
GLY A1730
 None
 0.92A 4qwpB-5zalA:
undetectable		 4qwpB-5zalA:
15.48
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.
6e2q -

(-) 		no annotation 4 GLU M 294
THR M 298
GLY M 295
THR M 299
 None
 0.92A 4qwpB-6e2qM:
undetectable		 4qwpB-6e2qM:
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.
6eoe 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Cricetulus
griseus) 		no annotation 4 GLU A 201
THR A  37
GLY A  36
THR A  38
 SO4  A 602 (-2.9A)
SO4  A 602 ( 3.9A)
ADP  A 603 ( 3.1A)
ADP  A 603 (-2.9A)
 0.92A 4qwpB-6eoeA:
undetectable		 4qwpB-6eoeA:
18.54