SIMILAR PATTERNS OF AMINO ACIDS FOR 5CDP_H_EVPH2101_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.
1b9y PROTEIN (PHOSDUCIN)

(Rattus
norvegicus) 		PF02114
(Phosducin) 		4 SER C 203
GLY C 178
ASP C 179
ARG C 180
 None
 0.80A 5cdpA-1b9yC:
undetectable
5cdpB-1b9yC:
undetectable		 5cdpA-1b9yC:
18.35
5cdpB-1b9yC:
20.56
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.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 SER A 573
GLY A 505
ASP A 506
GLY A 503
 None
 0.97A 5cdpA-1flgA:
undetectable
5cdpB-1flgA:
undetectable		 5cdpA-1flgA:
21.49
5cdpB-1flgA:
15.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jcf ROD
SHAPE-DETERMINING
PROTEIN MREB

(Thermotoga
maritima) 		PF06723
(MreB_Mbl) 		4 GLY A 157
ASP A 180
ARG A  66
GLY A  68
 None
 0.97A 5cdpA-1jcfA:
0.0
5cdpB-1jcfA:
2.3		 5cdpA-1jcfA:
23.25
5cdpB-1jcfA:
19.41
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.
1k4q GLUTATHIONE
REDUCTASE

(Homo sapiens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 SER A  51
GLY A 330
ASP A 331
GLY A  31
 FAD  A 499 (-3.1A)
FAD  A 499 (-3.3A)
FAD  A 499 (-2.9A)
FAD  A 499 (-3.7A)
 0.86A 5cdpA-1k4qA:
undetectable
5cdpB-1k4qA:
undetectable		 5cdpA-1k4qA:
22.16
5cdpB-1k4qA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1obb ALPHA-GLUCOSIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 GLU A 404
GLY A 259
ASP A 260
GLY A 179
 None
None
MAL  A 900 (-2.8A)
None
 0.95A 5cdpA-1obbA:
0.0
5cdpB-1obbA:
undetectable		 5cdpA-1obbA:
21.85
5cdpB-1obbA:
16.88
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.
1obf GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Achromobacter
xylosoxidans) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 GLU O  30
GLY O   8
ASP O  36
GLY O  13
 None
 0.95A 5cdpA-1obfO:
2.5
5cdpB-1obfO:
undetectable		 5cdpA-1obfO:
20.53
5cdpB-1obfO:
18.24
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.
1ofc ISWI PROTEIN

(Drosophila
melanogaster) 		PF09110
(HAND)
PF09111
(SLIDE) 		4 SER X 871
GLU X 964
GLY X 816
GLY X 862
 None
 0.87A 5cdpA-1ofcX:
1.5
5cdpB-1ofcX:
undetectable		 5cdpA-1ofcX:
21.06
5cdpB-1ofcX:
21.38
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.
1p31 UDP-N-ACETYLMURAMATE
--ALANINE LIGASE

(Haemophilus
influenzae) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 SER A 177
GLU A 176
GLY A  25
GLY A  28
 EPU  A 598 (-3.1A)
MG  A 776 ( 4.1A)
EPU  A 598 (-3.5A)
EPU  A 598 (-3.2A)
 0.95A 5cdpA-1p31A:
0.0
5cdpB-1p31A:
undetectable		 5cdpA-1p31A:
23.77
5cdpB-1p31A:
17.05
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.
1pvx PROTEIN
(ENDO-1,4-BETA-XYLAN
ASE)

(Byssochlamys
spectabilis) 		PF00457
(Glyco_hydro_11) 		4 SER A  16
GLU A   7
GLY A  43
GLY A  21
 None
 0.91A 5cdpA-1pvxA:
undetectable
5cdpB-1pvxA:
undetectable		 5cdpA-1pvxA:
16.77
5cdpB-1pvxA:
16.27
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.
1sfe ADA
O6-METHYLGUANINE-DNA
METHYLTRANSFERASE

(Escherichia
coli) 		PF01035
(DNA_binding_1)
PF02870
(Methyltransf_1N) 		4 GLY A  24
ASP A  20
ARG A  25
GLY A  41
 None
 0.97A 5cdpA-1sfeA:
undetectable
5cdpB-1sfeA:
undetectable		 5cdpA-1sfeA:
18.45
5cdpB-1sfeA:
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.
1spi FRUCTOSE
1,6-BISPHOSPHATASE

(Spinacia
oleracea) 		PF00316
(FBPase) 		4 GLU A 109
GLY A 121
ARG A 100
GLY A  99
 None
 0.93A 5cdpA-1spiA:
undetectable
5cdpB-1spiA:
undetectable		 5cdpA-1spiA:
20.20
5cdpB-1spiA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vcz RNASE NGR3

(Nicotiana
glutinosa) 		PF00445
(Ribonuclease_T2) 		4 SER A 154
GLU A 148
GLY A 192
GLY A 194
 None
 0.81A 5cdpA-1vczA:
undetectable
5cdpB-1vczA:
undetectable		 5cdpA-1vczA:
17.76
5cdpB-1vczA:
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.
1yna ENDO-1,4-BETA-XYLANA
SE

(Thermomyces
lanuginosus) 		PF00457
(Glyco_hydro_11) 		4 SER A  16
GLU A   7
GLY A  43
GLY A  21
 None
 0.87A 5cdpA-1ynaA:
undetectable
5cdpB-1ynaA:
undetectable		 5cdpA-1ynaA:
16.77
5cdpB-1ynaA:
18.18
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.
2ac5 MAP
KINASE-INTERACTING
SERINE/THREONINE
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLY A  91
ASP A  88
ARG A  97
GLY A  93
 None
 0.94A 5cdpA-2ac5A:
4.5
5cdpB-2ac5A:
undetectable		 5cdpA-2ac5A:
21.06
5cdpB-2ac5A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b4e CORONIN-1A

(Mus musculus) 		PF00400
(WD40)
PF08953
(DUF1899)
PF16300
(WD40_4) 		4 SER A  31
GLU A  52
GLY A 286
GLY A 288
 None
 0.84A 5cdpA-2b4eA:
undetectable
5cdpB-2b4eA:
undetectable		 5cdpA-2b4eA:
24.10
5cdpB-2b4eA:
19.15
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.
2e5v L-ASPARTATE OXIDASE

(Sulfurisphaera
tokodaii) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 SER A 327
GLY A 190
ASP A 191
GLY A 173
 None
None
FAD  A1002 (-2.9A)
FAD  A1002 ( 3.8A)
 0.70A 5cdpA-2e5vA:
undetectable
5cdpB-2e5vA:
undetectable		 5cdpA-2e5vA:
22.56
5cdpB-2e5vA:
17.41
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.
2f5v PYRANOSE 2-OXIDASE

(Peniophora sp.
SG) 		PF05199
(GMC_oxred_C) 		4 GLU A 273
GLY A  53
ASP A  76
GLY A  58
 None
FAD  A1625 (-3.4A)
FAD  A1625 (-2.9A)
None
 0.92A 5cdpA-2f5vA:
undetectable
5cdpB-2f5vA:
undetectable		 5cdpA-2f5vA:
20.47
5cdpB-2f5vA:
15.43
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.
2g17 N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Salmonella
enterica) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 GLY A 238
ASP A 307
ARG A 237
GLY A 185
 None
 0.99A 5cdpA-2g17A:
undetectable
5cdpB-2g17A:
undetectable		 5cdpA-2g17A:
22.29
5cdpB-2g17A:
16.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h0e TRANSTHYRETIN-LIKE
PROTEIN PUCM

(Bacillus
subtilis) 		PF00576
(Transthyretin) 		4 GLU A  36
GLY A   9
ASP A 101
GLY A  57
 None
 0.97A 5cdpA-2h0eA:
undetectable
5cdpB-2h0eA:
undetectable		 5cdpA-2h0eA:
13.89
5cdpB-2h0eA:
23.50
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.
2imr HYPOTHETICAL PROTEIN
DR_0824

(Deinococcus
radiodurans) 		PF01979
(Amidohydro_1) 		4 SER A 209
GLU A 173
GLY A 394
GLY A 168
 None
 0.96A 5cdpA-2imrA:
undetectable
5cdpB-2imrA:
undetectable		 5cdpA-2imrA:
22.02
5cdpB-2imrA:
19.95
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.
2inp PHENOL HYDROXYLASE
COMPONENT PHN

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		4 SER A 195
GLU A 199
GLY A 124
GLY A 126
 None
FE  A   1 (-2.2A)
None
None
 0.98A 5cdpA-2inpA:
undetectable
5cdpB-2inpA:
undetectable		 5cdpA-2inpA:
19.96
5cdpB-2inpA:
16.09
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.
2jjq UNCHARACTERIZED RNA
METHYLTRANSFERASE
PYRAB10780

(Pyrococcus
abyssi) 		PF05958
(tRNA_U5-meth_tr) 		4 SER A 266
GLU A 267
ASP A 242
ARG A 237
 None
 0.99A 5cdpA-2jjqA:
undetectable
5cdpB-2jjqA:
undetectable		 5cdpA-2jjqA:
21.95
5cdpB-2jjqA:
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.
2k20 PARTITIONING-DEFECTI
VE 3 HOMOLOG

(Rattus
norvegicus) 		PF00595
(PDZ) 		4 SER A  90
GLU A  94
GLY A  43
ASP A  41
 None
 0.98A 5cdpA-2k20A:
undetectable
5cdpB-2k20A:
undetectable		 5cdpA-2k20A:
13.48
5cdpB-2k20A:
22.46
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.
2nm0 PROBABLE
3-OXACYL-(ACYL-CARRI
ER-PROTEIN)
REDUCTASE

(Streptomyces
coelicolor) 		PF13561
(adh_short_C2) 		4 SER A 143
GLY A  15
ARG A  12
GLY A   9
 None
 0.75A 5cdpA-2nm0A:
undetectable
5cdpB-2nm0A:
3.3		 5cdpA-2nm0A:
20.84
5cdpB-2nm0A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pfx UNCHARACTERIZED
PEROXIDASE-RELATED
PROTEIN

(Ruegeria sp.
TM1040) 		PF02627
(CMD) 		4 SER A  65
GLU A  64
ARG A 148
GLY A 151
 None
 0.95A 5cdpA-2pfxA:
undetectable
5cdpB-2pfxA:
undetectable		 5cdpA-2pfxA:
18.98
5cdpB-2pfxA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pvp D-ALANINE-D-ALANINE
LIGASE

(Helicobacter
pylori) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 SER A 173
GLU A 203
GLY A 100
ASP A  99
GLY A 103
 None
 1.21A 5cdpA-2pvpA:
undetectable
5cdpB-2pvpA:
2.0		 5cdpA-2pvpA:
22.91
5cdpB-2pvpA:
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.
2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		4 SER A 353
GLY A 234
ASP A 236
GLY A 205
 None
ATP  A1002 (-3.6A)
None
ATP  A1002 (-3.5A)
 0.96A 5cdpA-2qxlA:
undetectable
5cdpB-2qxlA:
undetectable		 5cdpA-2qxlA:
23.60
5cdpB-2qxlA:
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.
2r87 PURP PROTEIN PF1517

(Pyrococcus
furiosus) 		PF06849
(DUF1246)
PF06973
(DUF1297) 		4 GLU A 193
GLY A  19
ASP A  22
GLY A 313
 None
 0.99A 5cdpA-2r87A:
undetectable
5cdpB-2r87A:
undetectable		 5cdpA-2r87A:
20.91
5cdpB-2r87A:
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.
2r9z GLUTATHIONE AMIDE
REDUCTASE

(Marichromatium
gracile) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 SER A  35
GLY A 301
ASP A 302
GLY A  15
 FAD  A 500 (-3.4A)
FAD  A 500 (-3.2A)
FAD  A 500 (-2.7A)
FAD  A 500 (-3.5A)
 0.78A 5cdpA-2r9zA:
undetectable
5cdpB-2r9zA:
undetectable		 5cdpA-2r9zA:
22.69
5cdpB-2r9zA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rgj FLAVIN-CONTAINING
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		4 SER A  37
GLY A 309
ASP A 310
GLY A  15
 FAD  A 403 ( 4.0A)
FAD  A 403 (-3.3A)
FAD  A 403 (-2.7A)
FAD  A 403 (-3.3A)
 0.98A 5cdpA-2rgjA:
undetectable
5cdpB-2rgjA:
undetectable		 5cdpA-2rgjA:
21.86
5cdpB-2rgjA:
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.
2trc PHOSDUCIN

(Rattus
norvegicus) 		PF02114
(Phosducin) 		4 SER P 203
GLY P 178
ASP P 179
ARG P 180
 None
 0.82A 5cdpA-2trcP:
undetectable
5cdpB-2trcP:
undetectable		 5cdpA-2trcP:
16.81
5cdpB-2trcP:
17.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vml PHYCOCYANIN ALPHA
CHAIN

(Gloeobacter
violaceus) 		PF00502
(Phycobilisome) 		4 SER A  11
GLY A 103
ASP A 106
GLY A 101
 None
 0.94A 5cdpA-2vmlA:
undetectable
5cdpB-2vmlA:
undetectable		 5cdpA-2vmlA:
16.56
5cdpB-2vmlA:
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.
2w2k D-MANDELATE
DEHYDROGENASE

(Rhodotorula
graminis) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 SER B 109
GLY B  10
ASP B  11
GLY B  63
 None
 0.93A 5cdpA-2w2kB:
undetectable
5cdpB-2w2kB:
undetectable		 5cdpA-2w2kB:
22.98
5cdpB-2w2kB:
20.98
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.
2xkk TOPOISOMERASE IV

(Acinetobacter
baumannii) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		5 SER A1084
GLU A1088
GLY A 396
ASP A 397
GLY A 419
 MG  A1504 ( 3.8A)
MG  A1504 ( 4.7A)
None
None
None
 0.68A 5cdpA-2xkkA:
49.0
5cdpB-2xkkA:
23.1		 5cdpA-2xkkA:
29.96
5cdpB-2xkkA:
17.24
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 GLU A 682
GLY A 893
ASP A 894
GLY A 908
 None
 0.83A 5cdpA-3bgaA:
undetectable
5cdpB-3bgaA:
undetectable		 5cdpA-3bgaA:
19.64
5cdpB-3bgaA:
11.34
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.
3c49 POLY(ADP-RIBOSE)
POLYMERASE 3

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg) 		4 GLU A 367
GLY A 447
ASP A 467
GLY A 377
 None
 0.72A 5cdpA-3c49A:
3.9
5cdpB-3c49A:
undetectable		 5cdpA-3c49A:
19.80
5cdpB-3c49A:
20.17
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.
3czm L-LACTATE
DEHYDROGENASE

(Toxoplasma
gondii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 SER A  67
GLY A  27
ASP A  53
GLY A  32
 None
NAD  A 401 ( 3.8A)
NAD  A 401 (-2.9A)
None
 0.93A 5cdpA-3czmA:
undetectable
5cdpB-3czmA:
undetectable		 5cdpA-3czmA:
20.20
5cdpB-3czmA:
20.87
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.
3gnq GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE, TYPE
I

(Burkholderia
pseudomallei) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 GLU A  30
GLY A   8
ASP A  36
GLY A  13
 None
 0.99A 5cdpA-3gnqA:
2.5
5cdpB-3gnqA:
undetectable		 5cdpA-3gnqA:
21.04
5cdpB-3gnqA:
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.
3h84 ATPASE GET3

(Saccharomyces
cerevisiae) 		PF02374
(ArsA_ATPase) 		4 SER A  55
GLY A 323
ARG A 322
GLY A  67
 None
 0.88A 5cdpA-3h84A:
undetectable
5cdpB-3h84A:
undetectable		 5cdpA-3h84A:
23.08
5cdpB-3h84A:
21.41
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.
3hf8 TRYPTOPHAN
5-HYDROXYLASE 1

(Homo sapiens) 		PF00351
(Biopterin_H) 		4 SER A 285
GLU A 380
GLY A 276
GLY A 331
 None
 0.85A 5cdpA-3hf8A:
undetectable
5cdpB-3hf8A:
undetectable		 5cdpA-3hf8A:
21.54
5cdpB-3hf8A:
20.14
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.
3ide CAPSID PROTEIN VP2

(Infectious
pancreatic
necrosis virus) 		PF01766
(Birna_VP2) 		4 SER A 108
GLY A  51
ARG A  69
GLY A  49
 None
 0.75A 5cdpA-3ideA:
undetectable
5cdpB-3ideA:
undetectable		 5cdpA-3ideA:
23.92
5cdpB-3ideA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ldh LACTATE
DEHYDROGENASE

(Squalus
acanthias) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 SER A  88
GLY A  33
ASP A  36
GLY A  28
 None
None
None
NAD  A 332 (-1.8A)
 0.75A 5cdpA-3ldhA:
undetectable
5cdpB-3ldhA:
undetectable		 5cdpA-3ldhA:
20.36
5cdpB-3ldhA:
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.
3meb ASPARTATE
AMINOTRANSFERASE

(Giardia
intestinalis) 		PF00155
(Aminotran_1_2) 		4 SER A 131
GLU A 154
GLY A 375
GLY A 396
 None
 0.94A 5cdpA-3mebA:
undetectable
5cdpB-3mebA:
undetectable		 5cdpA-3mebA:
22.87
5cdpB-3mebA:
19.26
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.
3muo PROLYL ENDOPEPTIDASE

(Aeromonas
caviae) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 GLU A 387
GLY A 540
ARG A 535
GLY A 457
 None
None
ZPR  A 702 (-4.1A)
None
 0.91A 5cdpA-3muoA:
undetectable
5cdpB-3muoA:
3.6		 5cdpA-3muoA:
21.13
5cdpB-3muoA:
13.98
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.
3nd0 SLL0855 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00654
(Voltage_CLC) 		4 SER A 342
GLY A 307
ASP A 306
GLY A 142
 None
 0.92A 5cdpA-3nd0A:
undetectable
5cdpB-3nd0A:
undetectable		 5cdpA-3nd0A:
22.95
5cdpB-3nd0A:
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.
3o0h GLUTATHIONE
REDUCTASE

(Bartonella
henselae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLU A 112
GLY A 304
ASP A 305
GLY A  16
 None
FAD  A 500 (-3.3A)
FAD  A 500 (-2.7A)
FAD  A 500 (-3.5A)
 0.64A 5cdpA-3o0hA:
undetectable
5cdpB-3o0hA:
undetectable		 5cdpA-3o0hA:
21.85
5cdpB-3o0hA:
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.
3oec CARVEOL
DEHYDROGENASE
(MYTHA.01326.C,
A0R518 HOMOLOG)

(Mycolicibacterium
thermoresistibile) 		PF13561
(adh_short_C2) 		4 GLU A  82
GLY A  31
ASP A  55
GLY A  37
 None
 0.92A 5cdpA-3oecA:
undetectable
5cdpB-3oecA:
3.2		 5cdpA-3oecA:
23.16
5cdpB-3oecA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p06 VP4 PROTEIN

(Tellina virus) 		no annotation 4 SER A 671
GLU A 672
GLY A 688
GLY A 710
 None
GOL  A 102 ( 4.8A)
None
None
 0.94A 5cdpA-3p06A:
undetectable
5cdpB-3p06A:
undetectable		 5cdpA-3p06A:
15.56
5cdpB-3p06A:
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.
3qc2 GLYCOSYL HYDROLASE

(Bacteroides
ovatus) 		PF04041
(Glyco_hydro_130) 		4 SER A  72
GLU A  55
GLY A 102
GLY A 100
 None
 0.70A 5cdpA-3qc2A:
undetectable
5cdpB-3qc2A:
undetectable		 5cdpA-3qc2A:
23.12
5cdpB-3qc2A:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r4t 4-AMINOBUTYRATE
AMINOTRANSFERASE
GABT

(Mycobacterium
marinum) 		PF00202
(Aminotran_3) 		4 GLU A 234
GLY A 272
ARG A 374
GLY A 375
 None
 0.97A 5cdpA-3r4tA:
undetectable
5cdpB-3r4tA:
undetectable		 5cdpA-3r4tA:
21.51
5cdpB-3r4tA:
16.70
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.
3sc4 SHORT CHAIN
DEHYDROGENASE
(A0QTM2 HOMOLOG)

(Mycolicibacterium
thermoresistibile) 		PF00106
(adh_short) 		4 GLU A  58
GLY A  12
ARG A  15
GLY A  18
 None
UNL  A 290 ( 3.3A)
UNL  A 288 (-3.7A)
EDO  A 282 (-3.8A)
 0.99A 5cdpA-3sc4A:
undetectable
5cdpB-3sc4A:
2.5		 5cdpA-3sc4A:
21.18
5cdpB-3sc4A:
19.58
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.
3slk POLYKETIDE SYNTHASE
EXTENDER MODULE 2

(Saccharopolyspora
spinosa) 		PF08240
(ADH_N)
PF08659
(KR)
PF13602
(ADH_zinc_N_2) 		4 SER A 692
GLU A 696
GLY A 516
GLY A 522
 None
None
NDP  A 802 (-3.3A)
None
 0.93A 5cdpA-3slkA:
undetectable
5cdpB-3slkA:
3.2		 5cdpA-3slkA:
21.18
5cdpB-3slkA:
13.04
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.
3t33 G PROTEIN COUPLED
RECEPTOR

(Arabidopsis
thaliana) 		PF05147
(LANC_like) 		4 SER A 256
GLY A 204
ARG A 205
GLY A 208
 None
 0.98A 5cdpA-3t33A:
undetectable
5cdpB-3t33A:
undetectable		 5cdpA-3t33A:
23.17
5cdpB-3t33A:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u95 GLYCOSIDE HYDROLASE,
FAMILY 4

(Thermotoga
neapolitana) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 GLU A 394
GLY A 266
ASP A 267
GLY A 186
 None
None
MN  A 601 ( 4.6A)
None
 0.93A 5cdpA-3u95A:
undetectable
5cdpB-3u95A:
undetectable		 5cdpA-3u95A:
22.24
5cdpB-3u95A:
18.28
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.
3vvl HOMOSERINE
O-ACETYLTRANSFERASE

(Streptomyces
lavendulae) 		PF00561
(Abhydrolase_1) 		4 SER A 276
GLY A 207
ARG A 211
GLY A 209
 None
 0.99A 5cdpA-3vvlA:
undetectable
5cdpB-3vvlA:
2.4		 5cdpA-3vvlA:
22.57
5cdpB-3vvlA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w01 HEPTAPRENYLGLYCERYL
PHOSPHATE SYNTHASE

(Staphylococcus
aureus) 		PF01884
(PcrB) 		4 SER A 176
GLU A 177
GLY A 188
GLY A 167
 None
 0.99A 5cdpA-3w01A:
undetectable
5cdpB-3w01A:
undetectable		 5cdpA-3w01A:
18.97
5cdpB-3w01A:
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.
3wx5 CELLULASE

(uncultured
bacterium) 		PF01670
(Glyco_hydro_12) 		4 SER A 251
GLY A  51
ASP A  47
ARG A  54
 None
 0.91A 5cdpA-3wx5A:
undetectable
5cdpB-3wx5A:
undetectable		 5cdpA-3wx5A:
17.86
5cdpB-3wx5A:
21.79
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.
4a5q CHI1

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		4 SER A  78
GLY A 213
ASP A 254
GLY A 118
 None
 0.90A 5cdpA-4a5qA:
undetectable
5cdpB-4a5qA:
undetectable		 5cdpA-4a5qA:
23.12
5cdpB-4a5qA:
16.45
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.
4cr6 N-ACYLMANNOSAMINE
1-DEHYDROGENASE

(Flavobacterium
sp. 141-8) 		PF13561
(adh_short_C2) 		4 GLU A 231
GLY A 264
ASP A 219
ARG A 270
 None
 0.74A 5cdpA-4cr6A:
undetectable
5cdpB-4cr6A:
3.5		 5cdpA-4cr6A:
21.99
5cdpB-4cr6A:
21.76
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.
4dok SIMILARITY TO
CHALCONE-FLAVONONE
ISOMERASE

(Arabidopsis
thaliana) 		PF02431
(Chalcone) 		4 SER A  81
GLY A 191
ARG A 190
GLY A 188
 None
 0.74A 5cdpA-4dokA:
undetectable
5cdpB-4dokA:
undetectable		 5cdpA-4dokA:
18.22
5cdpB-4dokA:
20.27
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.
4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE

(Bacillus
megaterium) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		4 SER A 844
GLU A 686
GLY A 903
GLY A 905
 None
None
None
SO4  A1104 ( 4.2A)
 0.97A 5cdpA-4dqkA:
undetectable
5cdpB-4dqkA:
2.8		 5cdpA-4dqkA:
21.82
5cdpB-4dqkA:
20.21
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.
4dzi PUTATIVE TIM-BARREL
METAL-DEPENDENT
HYDROLASE

(Mycobacterium
avium) 		PF04909
(Amidohydro_2) 		4 SER A 169
GLY A  49
ARG A  33
GLY A  34
 None
 0.93A 5cdpA-4dziA:
undetectable
5cdpB-4dziA:
undetectable		 5cdpA-4dziA:
21.06
5cdpB-4dziA:
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.
4f82 THIOREDOXIN
REDUCTASE

(Burkholderia
cenocepacia) 		PF08534
(Redoxin) 		4 GLU A  15
GLY A 140
ASP A 139
GLY A  39
 None
 0.87A 5cdpA-4f82A:
undetectable
5cdpB-4f82A:
undetectable		 5cdpA-4f82A:
17.47
5cdpB-4f82A:
23.66
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.
4fff LEVAN
FRUCTOTRANSFERASE

(Paenarthrobacter
ureafaciens) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 SER A 334
GLY A 494
ASP A 495
ARG A 421
 None
 1.00A 5cdpA-4fffA:
undetectable
5cdpB-4fffA:
undetectable		 5cdpA-4fffA:
22.78
5cdpB-4fffA:
15.62
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.
4gni PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		4 SER A  26
ASP A 218
ARG A 216
GLY A 214
 None
None
None
ATP  A 502 (-3.6A)
 0.95A 5cdpA-4gniA:
undetectable
5cdpB-4gniA:
undetectable		 5cdpA-4gniA:
24.40
5cdpB-4gniA:
19.65
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.
4h09 HYPOTHETICAL LEUCINE
RICH REPEAT PROTEIN

(Eubacterium
ventriosum) 		PF13306
(LRR_5) 		4 SER A  98
GLY A 137
ASP A 138
GLY A 115
 None
PEG  A 501 ( 4.0A)
None
PEG  A 501 (-3.6A)
 0.94A 5cdpA-4h09A:
undetectable
5cdpB-4h09A:
undetectable		 5cdpA-4h09A:
23.82
5cdpB-4h09A:
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.
4huh TAIL CONNECTOR
PROTEIN GP15

(Escherichia
virus T4) 		PF16724
(T4-gp15_tss) 		4 SER A   9
GLY A 154
ASP A 156
GLY A 207
 None
 0.74A 5cdpA-4huhA:
2.3
5cdpB-4huhA:
undetectable		 5cdpA-4huhA:
20.45
5cdpB-4huhA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j8b COATOMER ALPHA
SUBUNIT

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		4 GLY A  72
ASP A  73
ARG A  57
GLY A  58
 None
 0.77A 5cdpA-4j8bA:
undetectable
5cdpB-4j8bA:
undetectable		 5cdpA-4j8bA:
18.69
5cdpB-4j8bA:
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.
4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		4 GLU A 388
GLY A 359
ASP A 358
GLY A 398
 None
 0.74A 5cdpA-4jsoA:
3.0
5cdpB-4jsoA:
undetectable		 5cdpA-4jsoA:
22.67
5cdpB-4jsoA:
14.41
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.
4ksi LEUCINE
AMINOPEPTIDASE 1,
CHLOROPLASTIC

(Solanum
lycopersicum) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 SER A 348
GLY A 410
ASP A 411
ARG A 408
 None
 0.74A 5cdpA-4ksiA:
undetectable
5cdpB-4ksiA:
1.7		 5cdpA-4ksiA:
23.00
5cdpB-4ksiA:
17.54
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.
4n74 PREDICTED OUTER
MEMBRANE PROTEIN AND
SURFACE ANTIGEN

(Escherichia
coli) 		PF01103
(Bac_surface_Ag) 		4 SER A 546
GLY A 541
ASP A 554
GLY A 516
 None
 0.99A 5cdpA-4n74A:
undetectable
5cdpB-4n74A:
undetectable		 5cdpA-4n74A:
23.01
5cdpB-4n74A:
22.34
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.
4nv0 7-METHYLGUANOSINE
PHOSPHATE-SPECIFIC
5'-NUCLEOTIDASE

(Drosophila
melanogaster) 		PF05822
(UMPH-1) 		4 SER A 254
GLU A 221
GLY A 266
GLY A 244
 None
 0.96A 5cdpA-4nv0A:
undetectable
5cdpB-4nv0A:
undetectable		 5cdpA-4nv0A:
20.50
5cdpB-4nv0A:
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.
4o4f INOSITOL
HEXAKISPHOSPHATE
KINASE

(Entamoeba
histolytica) 		PF03770
(IPK) 		4 SER A 136
GLY A 248
ASP A 247
GLY A 252
 IHP  A 403 ( 4.3A)
PO4  A 406 (-3.7A)
PO4  A 406 (-2.9A)
None
 0.77A 5cdpA-4o4fA:
1.8
5cdpB-4o4fA:
undetectable		 5cdpA-4o4fA:
20.20
5cdpB-4o4fA:
20.68
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.
4pbc D-AMINO ACID
AMINOTRANSFERASE

(Burkholderia
cenocepacia) 		PF01063
(Aminotran_4) 		4 GLU A 188
GLY A  42
ASP A  40
GLY A  48
 None
 0.93A 5cdpA-4pbcA:
undetectable
5cdpB-4pbcA:
undetectable		 5cdpA-4pbcA:
23.08
5cdpB-4pbcA:
19.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4plb CHIMERA PROTEIN OF
DNA GYRASE SUBUNITS
B AND A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 SER B1084
GLU B1088
ARG B 458
GLY B 459
 None
 0.78A 5cdpA-4plbB:
58.5
5cdpB-4plbB:
31.5		 5cdpA-4plbB:
100.00
5cdpB-4plbB:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4plb CHIMERA PROTEIN OF
DNA GYRASE SUBUNITS
B AND A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 SER B1084
GLU B1088
GLY B 436
GLY B 459
 None
 0.70A 5cdpA-4plbB:
58.5
5cdpB-4plbB:
31.5		 5cdpA-4plbB:
100.00
5cdpB-4plbB:
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.
4rmx PHI92_GP150

(Enterobacteria
phage phi92) 		no annotation 4 GLY A 658
ASP A 657
ARG A 662
GLY A 660
 None
 0.87A 5cdpA-4rmxA:
undetectable
5cdpB-4rmxA:
undetectable		 5cdpA-4rmxA:
19.94
5cdpB-4rmxA:
13.94
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.
4uar PROTEIN CBBY

(Rhodobacter
sphaeroides) 		PF13419
(HAD_2) 		4 SER A 177
GLU A 202
ASP A 155
GLY A 186
 None
 0.96A 5cdpA-4uarA:
undetectable
5cdpB-4uarA:
2.2		 5cdpA-4uarA:
21.17
5cdpB-4uarA:
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.
4x0e PROBABLE
NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01467
(CTP_transf_like) 		4 GLY A  42
ASP A  77
ARG A  80
GLY A  82
 None
 0.95A 5cdpA-4x0eA:
undetectable
5cdpB-4x0eA:
3.2		 5cdpA-4x0eA:
18.18
5cdpB-4x0eA:
20.76
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.
4zg7 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2

(Homo sapiens) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		4 GLU A 860
GLY A 315
ASP A 312
GLY A 473
 None
None
ZN  A 903 ( 2.0A)
None
 0.75A 5cdpA-4zg7A:
3.5
5cdpB-4zg7A:
undetectable		 5cdpA-4zg7A:
21.14
5cdpB-4zg7A:
13.23
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.
5boe ENOLASE

(Staphylococcus
aureus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 GLU A 249
ASP A 402
ARG A 400
GLY A 396
 None
 0.97A 5cdpA-5boeA:
undetectable
5cdpB-5boeA:
undetectable		 5cdpA-5boeA:
22.33
5cdpB-5boeA:
18.78
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.
5cdo DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B

(Staphylococcus
aureus) 		PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 GLY B 436
ASP B 437
ARG B 458
GLY B 459
 None
 0.68A 5cdpA-5cdoB:
undetectable
5cdpB-5cdoB:
33.1		 5cdpA-5cdoB:
17.99
5cdpB-5cdoB:
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.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT

(Azospira oryzae) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 SER A 765
GLY A  80
ASP A  82
GLY A  77
 None
None
NA  A1015 ( 4.9A)
SF4  A1001 ( 3.7A)
 0.87A 5cdpA-5chcA:
undetectable
5cdpB-5chcA:
undetectable		 5cdpA-5chcA:
19.18
5cdpB-5chcA:
11.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dl5 MEMBRANE PROTEIN

(Acinetobacter
baumannii) 		PF03573
(OprD) 		4 SER A  37
GLY A  65
ASP A  64
ARG A  94
 None
C8E  A 502 (-3.9A)
None
None
 0.91A 5cdpA-5dl5A:
undetectable
5cdpB-5dl5A:
undetectable		 5cdpA-5dl5A:
21.76
5cdpB-5dl5A:
18.79
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.
5e02 FRQ-INTERACTING RNA
HELICASE

(Neurospora
crassa) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT)
PF13234
(rRNA_proc-arch) 		4 SER A 124
GLY A 579
ARG A 548
GLY A 587
 None
 0.53A 5cdpA-5e02A:
undetectable
5cdpB-5e02A:
undetectable		 5cdpA-5e02A:
19.01
5cdpB-5e02A:
10.72
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.
5f12 NAD(P)H
DEHYDROGENASE
(QUINONE)

(Escherichia
coli) 		PF03358
(FMN_red) 		4 GLU A  40
GLY A 167
ASP A 168
GLY A 114
 MHO  A  10 ( 4.7A)
None
None
FMN  A 201 (-3.6A)
 0.95A 5cdpA-5f12A:
undetectable
5cdpB-5f12A:
3.6		 5cdpA-5f12A:
16.15
5cdpB-5f12A:
24.54
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.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER B 831
GLU B 966
GLY B 891
GLY B 888
 None
 0.94A 5cdpA-5fq6B:
undetectable
5cdpB-5fq6B:
undetectable		 5cdpA-5fq6B:
20.17
5cdpB-5fq6B:
10.66
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.
5j72 PUTATIVE
N-ACETYLMURAMOYL-L-A
LANINE
AMIDASE,AUTOLYSIN
CWP6

(Clostridioides
difficile) 		PF01520
(Amidase_3)
PF04122
(CW_binding_2) 		4 SER A 373
GLU A 422
ASP A 190
GLY A 160
 None
None
CA  A 701 (-3.4A)
None
 0.91A 5cdpA-5j72A:
undetectable
5cdpB-5j72A:
3.5		 5cdpA-5j72A:
22.78
5cdpB-5j72A:
15.50
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.
5l01 TRYPTOPHAN
5-HYDROXYLASE 1

(Homo sapiens) 		PF00351
(Biopterin_H) 		4 SER A 285
GLU A 380
GLY A 276
GLY A 331
 None
 0.83A 5cdpA-5l01A:
undetectable
5cdpB-5l01A:
undetectable		 5cdpA-5l01A:
20.67
5cdpB-5l01A:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lp7 ACETYL-COA
ACETYLTRANSFERASE

(Bacillus
subtilis) 		no annotation 4 GLU H 192
GLY H 372
ASP H 312
GLY H 370
 None
 0.87A 5cdpA-5lp7H:
undetectable
5cdpB-5lp7H:
undetectable		 5cdpA-5lp7H:
22.22
5cdpB-5lp7H:
20.21
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.
5n1t CYTOCHROME C
FLAVIN-BINDING
SUBUNIT OF SULFIDE
DEHYDROGENASE

(Thioalkalivibrio
paradoxus) 		no annotation 4 SER B  29
GLY A 414
ASP A 417
GLY B  24
 None
 0.79A 5cdpA-5n1tB:
undetectable
5cdpB-5n1tB:
undetectable		 5cdpA-5n1tB:
9.94
5cdpB-5n1tB:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vrf CADMIUM AND ZINC
EFFLUX PUMP FIEF

(Shewanella
oneidensis) 		no annotation 4 GLY B 182
ASP B 181
ARG B 106
GLY B 104
 None
 0.97A 5cdpA-5vrfB:
undetectable
5cdpB-5vrfB:
undetectable		 5cdpA-5vrfB:
9.91
5cdpB-5vrfB:
16.32
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.
5wvb CHITINASE

(Ostrinia
furnacalis) 		no annotation 4 SER A 103
GLY A 174
ASP A 215
GLY A 130
 None
None
NAG  A 504 (-3.8A)
None
 0.85A 5cdpA-5wvbA:
undetectable
5cdpB-5wvbA:
undetectable		 5cdpA-5wvbA:
13.37
5cdpB-5wvbA:
15.26
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.
5x9w DNA MISMATCH REPAIR
PROTEIN MUTS

(Neisseria
gonorrhoeae) 		no annotation 4 SER A 145
GLU A 150
GLY A  83
GLY A 189
 None
 0.85A 5cdpA-5x9wA:
undetectable
5cdpB-5x9wA:
undetectable		 5cdpA-5x9wA:
21.33
5cdpB-5x9wA:
12.82
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.
5xvs GDP/UDP-N,N'-DIACETY
LBACILLOSAMINE
2-EPIMERASE
(HYDROLYZING)

(Acinetobacter
baumannii) 		no annotation 4 SER A 290
GLY A 354
ASP A 179
GLY A 352
 UDP  A 402 (-2.4A)
None
None
None
 0.97A 5cdpA-5xvsA:
undetectable
5cdpB-5xvsA:
2.8		 5cdpA-5xvsA:
9.59
5cdpB-5xvsA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yh1 -

(-) 		no annotation 4 GLU A 549
GLY A 367
ASP A 364
GLY A 499
 None
None
MN  A 805 ( 4.7A)
None
 0.97A 5cdpA-5yh1A:
3.4
5cdpB-5yh1A:
3.0		 5cdpA-5yh1A:
undetectable
5cdpB-5yh1A:
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.
5yhh UNCHARACTERIZED
CONSERVED PROTEIN
YIIM

(Geobacillus
stearothermophilus) 		no annotation 4 GLU A 181
GLY A 165
ASP A 101
GLY A 167
 None
 0.98A 5cdpA-5yhhA:
undetectable
5cdpB-5yhhA:
undetectable		 5cdpA-5yhhA:
11.14
5cdpB-5yhhA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ykb TREHALOSE SYNTHASE

(Deinococcus
radiodurans) 		no annotation 4 GLU A 386
GLY A 100
ASP A 101
ARG A 207
 None
 0.90A 5cdpA-5ykbA:
undetectable
5cdpB-5ykbA:
undetectable		 5cdpA-5ykbA:
20.88
5cdpB-5ykbA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c7s PUTATIVE RIFAMPIN
MONOOXYGENASE

(Nocardia
farcinica) 		no annotation 4 SER A 318
GLU A 322
GLY A 308
ARG A 427
 None
 0.79A 5cdpA-6c7sA:
2.8
5cdpB-6c7sA:
undetectable		 5cdpA-6c7sA:
13.35
5cdpB-6c7sA:
17.71
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 4 SER A 716
GLY A 573
ASP A 572
GLY B 559
 None
SF4  A3001 ( 4.0A)
None
None
 0.72A 5cdpA-6fosA:
undetectable
5cdpB-6fosA:
undetectable		 5cdpA-6fosA:
9.84
5cdpB-6fosA:
16.93