SIMILAR PATTERNS OF AMINO ACIDS FOR 2HDN_B_TACB1888_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.
1dtp DIPHTHERIA TOXIN

(Corynephage
beta) 		PF02763
(Diphtheria_C) 		4 THR A  56
SER A 146
ASP A  57
SER A 144
 None
 1.46A 2hdnA-1dtpA:
undetectable
2hdnB-1dtpA:
undetectable
2hdnD-1dtpA:
undetectable		 2hdnA-1dtpA:
16.67
2hdnB-1dtpA:
18.69
2hdnD-1dtpA:
18.69
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.
1fno PEPTIDASE T

(Salmonella
enterica) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 SER A  18
ASP A  80
PRO A 171
SER A  27
 None
 1.37A 2hdnA-1fnoA:
0.0
2hdnB-1fnoA:
undetectable
2hdnD-1fnoA:
undetectable		 2hdnA-1fnoA:
12.89
2hdnB-1fnoA:
20.65
2hdnD-1fnoA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gyd ARABINAN
ENDO-1,5-ALPHA-L-ARA
BINOSIDASE A

(Cellvibrio
japonicus) 		PF04616
(Glyco_hydro_43) 		4 SER B 147
ASP B 152
PRO B 149
SER B 119
 None
 1.34A 2hdnA-1gydB:
0.0
2hdnB-1gydB:
undetectable
2hdnD-1gydB:
undetectable		 2hdnA-1gydB:
9.21
2hdnB-1gydB:
21.17
2hdnD-1gydB:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kht ADENYLATE KINASE

(Methanococcus
voltae) 		PF13207
(AAA_17) 		4 THR A  17
SER A  38
ASP A  90
SER A  41
 None
 1.02A 2hdnA-1khtA:
0.0
2hdnB-1khtA:
3.0
2hdnD-1khtA:
3.9		 2hdnA-1khtA:
11.92
2hdnB-1khtA:
19.83
2hdnD-1khtA:
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.
1kv9 TYPE II
QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		4 THR A 392
SER A 466
PRO A 390
SER A 387
 None
 1.41A 2hdnA-1kv9A:
0.0
2hdnB-1kv9A:
undetectable
2hdnD-1kv9A:
undetectable		 2hdnA-1kv9A:
5.36
2hdnB-1kv9A:
19.31
2hdnD-1kv9A:
19.31
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.
1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT

(Pseudomonas
putida) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 THR B   4
ASP B 204
PRO B 203
SER B  14
 None
 1.49A 2hdnA-1qs0B:
0.0
2hdnB-1qs0B:
4.6
2hdnD-1qs0B:
3.0		 2hdnA-1qs0B:
7.55
2hdnB-1qs0B:
21.13
2hdnD-1qs0B:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		4 THR A 400
SER A 186
ASP A 397
PRO A 403
 None
 1.25A 2hdnA-1qu2A:
0.0
2hdnB-1qu2A:
2.1
2hdnD-1qu2A:
2.4		 2hdnA-1qu2A:
5.45
2hdnB-1qu2A:
17.97
2hdnD-1qu2A:
17.97
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.
1sgw PUTATIVE ABC
TRANSPORTER

(Pyrococcus
furiosus) 		PF00005
(ABC_tran) 		4 THR A  41
ASP A 150
PRO A  76
SER A  48
 None
 1.42A 2hdnA-1sgwA:
0.0
2hdnB-1sgwA:
0.1
2hdnD-1sgwA:
undetectable		 2hdnA-1sgwA:
15.00
2hdnB-1sgwA:
21.20
2hdnD-1sgwA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vpl ABC TRANSPORTER,
ATP-BINDING PROTEIN

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		4 THR A  43
ASP A 159
PRO A  82
SER A  50
 SO4  A 245 (-3.9A)
None
None
None
 1.39A 2hdnA-1vplA:
undetectable
2hdnB-1vplA:
0.0
2hdnD-1vplA:
undetectable		 2hdnA-1vplA:
12.57
2hdnB-1vplA:
22.70
2hdnD-1vplA:
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.
1w18 LEVANSUCRASE

(Gluconacetobacter
diazotrophicus) 		PF02435
(Glyco_hydro_68) 		4 THR A 464
SER A 110
ASP A 461
SER A 100
 None
 1.25A 2hdnA-1w18A:
undetectable
2hdnB-1w18A:
undetectable
2hdnD-1w18A:
undetectable		 2hdnA-1w18A:
6.60
2hdnB-1w18A:
20.28
2hdnD-1w18A:
20.28
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.
1wln AFADIN

(Mus musculus) 		PF00498
(FHA) 		4 SER A  24
ASP A  26
PRO A  28
SER A  18
 None
 1.45A 2hdnA-1wlnA:
undetectable
2hdnB-1wlnA:
undetectable
2hdnD-1wlnA:
undetectable		 2hdnA-1wlnA:
12.50
2hdnB-1wlnA:
16.12
2hdnD-1wlnA:
16.12
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.
1y6z HEAT SHOCK PROTEIN,
PUTATIVE

(Plasmodium
falciparum) 		PF00183
(HSP90) 		4 SER A 232
ASP A 237
PRO A 235
SER A 206
 None
 1.37A 2hdnA-1y6zA:
undetectable
2hdnB-1y6zA:
undetectable
2hdnD-1y6zA:
undetectable		 2hdnA-1y6zA:
9.24
2hdnB-1y6zA:
22.35
2hdnD-1y6zA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ybe NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Agrobacterium
tumefaciens) 		PF04095
(NAPRTase) 		4 THR A 294
SER A 315
ASP A 410
PRO A 313
 None
 1.44A 2hdnA-1ybeA:
undetectable
2hdnB-1ybeA:
undetectable
2hdnD-1ybeA:
undetectable		 2hdnA-1ybeA:
6.83
2hdnB-1ybeA:
21.98
2hdnD-1ybeA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ys4 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 SER A  93
ASP A  94
PRO A  92
SER A 115
 None
None
NAP  A 900 (-4.3A)
MLA  A 904 (-4.1A)
 1.42A 2hdnA-1ys4A:
undetectable
2hdnB-1ys4A:
undetectable
2hdnD-1ys4A:
1.9		 2hdnA-1ys4A:
7.06
2hdnB-1ys4A:
22.28
2hdnD-1ys4A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2drw D-AMINO ACID AMIDASE

(Ochrobactrum
anthropi) 		PF00144
(Beta-lactamase) 		4 THR A 324
SER A 302
ASP A 321
SER A 301
 None
 1.27A 2hdnA-2drwA:
undetectable
2hdnB-2drwA:
undetectable
2hdnD-2drwA:
undetectable		 2hdnA-2drwA:
9.25
2hdnB-2drwA:
20.21
2hdnD-2drwA:
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.
2lpd UNCHARACTERIZED
PROTEIN

(Burkholderia
pseudomallei) 		PF03621
(MbtH) 		4 THR A  58
SER A  21
ASP A  23
PRO A  19
 None
 1.47A 2hdnA-2lpdA:
undetectable
2hdnB-2lpdA:
undetectable
2hdnD-2lpdA:
undetectable		 2hdnA-2lpdA:
15.79
2hdnB-2lpdA:
16.30
2hdnD-2lpdA:
16.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qb6 EXOPOLYPHOSPHATASE

(Saccharomyces
cerevisiae) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 THR A 203
SER A 171
ASP A 214
SER A 170
 None
 1.47A 2hdnA-2qb6A:
undetectable
2hdnB-2qb6A:
undetectable
2hdnD-2qb6A:
2.2		 2hdnA-2qb6A:
8.91
2hdnB-2qb6A:
22.28
2hdnD-2qb6A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qlv CARBON CATABOLITE
DEREPRESSING PROTEIN
KINASE

(Saccharomyces
cerevisiae) 		PF16579
(AdenylateSensor) 		4 SER A 513
ASP A 517
PRO A 515
SER A 511
 None
 1.34A 2hdnA-2qlvA:
undetectable
2hdnB-2qlvA:
undetectable
2hdnD-2qlvA:
undetectable		 2hdnA-2qlvA:
11.24
2hdnB-2qlvA:
19.29
2hdnD-2qlvA:
19.29
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.
2v9j 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-1

(Rattus
norvegicus) 		PF16579
(AdenylateSensor) 		4 SER A 404
ASP A 408
PRO A 406
SER A 402
 None
 1.35A 2hdnA-2v9jA:
undetectable
2hdnB-2v9jA:
undetectable
2hdnD-2v9jA:
undetectable		 2hdnA-2v9jA:
11.46
2hdnB-2v9jA:
17.56
2hdnD-2v9jA:
17.56
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.
2vxb DNA REPAIR PROTEIN
RHP9

(Schizosaccharomyces
pombe) 		PF00533
(BRCT) 		4 THR A 258
SER A 254
ASP A 255
SER A 252
 None
 1.28A 2hdnA-2vxbA:
undetectable
2hdnB-2vxbA:
undetectable
2hdnD-2vxbA:
undetectable		 2hdnA-2vxbA:
9.64
2hdnB-2vxbA:
21.15
2hdnD-2vxbA:
21.15
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.
2ya3 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-1

(Rattus
norvegicus) 		PF16579
(AdenylateSensor) 		4 SER A 404
ASP A 408
PRO A 406
SER A 402
 None
 1.37A 2hdnA-2ya3A:
undetectable
2hdnB-2ya3A:
undetectable
2hdnD-2ya3A:
undetectable		 2hdnA-2ya3A:
10.00
2hdnB-2ya3A:
20.18
2hdnD-2ya3A:
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		4 THR A 788
SER A 198
ASP A 822
SER A 195
 MD1  A1245 (-3.5A)
MD1  A1245 ( 4.4A)
MD1  A1245 (-2.8A)
MD1  A1245 ( 4.5A)
 1.18A 2hdnA-3egwA:
undetectable
2hdnB-3egwA:
2.2
2hdnD-3egwA:
2.2		 2hdnA-3egwA:
5.14
2hdnB-3egwA:
14.04
2hdnD-3egwA:
14.04
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.
3hly FLAVODOXIN-LIKE
DOMAIN

(Synechococcus
elongatus) 		no annotation 4 SER A 350
ASP A 355
PRO A 320
SER A 274
 None
 1.39A 2hdnA-3hlyA:
undetectable
2hdnB-3hlyA:
5.9
2hdnD-3hlyA:
2.5		 2hdnA-3hlyA:
10.56
2hdnB-3hlyA:
17.56
2hdnD-3hlyA:
17.56
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.
3kzx HAD-SUPERFAMILY
HYDROLASE, SUBFAMILY
IA, VARIANT 1

(Ehrlichia
chaffeensis) 		PF13419
(HAD_2) 		4 THR A  14
SER A 165
ASP A 164
SER A 167
 None
 1.40A 2hdnA-3kzxA:
undetectable
2hdnB-3kzxA:
undetectable
2hdnD-3kzxA:
2.7		 2hdnA-3kzxA:
8.56
2hdnB-3kzxA:
21.53
2hdnD-3kzxA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m1y PHOSPHOSERINE
PHOSPHATASE (SERB)

(Helicobacter
pylori) 		PF00702
(Hydrolase) 		4 THR A  18
SER A  96
ASP A  10
SER A 117
 None
 1.12A 2hdnA-3m1yA:
undetectable
2hdnB-3m1yA:
undetectable
2hdnD-3m1yA:
2.9		 2hdnA-3m1yA:
15.13
2hdnB-3m1yA:
21.99
2hdnD-3m1yA:
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.
3mg0 PROTEASOME COMPONENT
PRE6

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		4 SER C 219
ASP C 218
PRO C 143
SER C  72
 None
 0.92A 2hdnA-3mg0C:
undetectable
2hdnB-3mg0C:
undetectable
2hdnD-3mg0C:
undetectable		 2hdnA-3mg0C:
10.81
2hdnB-3mg0C:
20.00
2hdnD-3mg0C:
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.
3mzv DECAPRENYL
DIPHOSPHATE SYNTHASE

(Rhodobacter
capsulatus) 		PF00348
(polyprenyl_synt) 		4 THR A 107
SER A 117
ASP A  94
SER A 116
 None
 1.37A 2hdnA-3mzvA:
undetectable
2hdnB-3mzvA:
undetectable
2hdnD-3mzvA:
undetectable		 2hdnA-3mzvA:
10.03
2hdnB-3mzvA:
22.43
2hdnD-3mzvA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rf7 IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Shewanella
denitrificans) 		PF00465
(Fe-ADH) 		4 THR A  72
SER A 119
PRO A 157
SER A 118
 None
None
None
PEG  A 368 ( 4.5A)
 1.26A 2hdnA-3rf7A:
undetectable
2hdnB-3rf7A:
undetectable
2hdnD-3rf7A:
undetectable		 2hdnA-3rf7A:
9.19
2hdnB-3rf7A:
21.05
2hdnD-3rf7A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bob ERPP PROTEIN

(Borreliella
burgdorferi) 		PF02471
(OspE) 		4 THR A  76
SER A  79
ASP A  65
SER A 101
 None
 1.25A 2hdnA-4bobA:
undetectable
2hdnB-4bobA:
undetectable
2hdnD-4bobA:
undetectable		 2hdnA-4bobA:
12.99
2hdnB-4bobA:
18.45
2hdnD-4bobA:
18.45
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.
4cca SYNTAXIN-BINDING
PROTEIN 2

(Homo sapiens) 		PF00995
(Sec1) 		4 THR A 153
SER A 568
PRO A 150
SER A 567
 None
 1.25A 2hdnA-4ccaA:
undetectable
2hdnB-4ccaA:
undetectable
2hdnD-4ccaA:
undetectable		 2hdnA-4ccaA:
5.00
2hdnB-4ccaA:
19.90
2hdnD-4ccaA:
19.90
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.
4d72 GLYCOSIDE HYDROLASE

(Streptococcus
pneumoniae) 		PF08306
(Glyco_hydro_98M)
PF08307
(Glyco_hydro_98C) 		4 SER A 761
ASP A 759
PRO A 794
SER A 594
 None
 1.47A 2hdnA-4d72A:
undetectable
2hdnB-4d72A:
1.1
2hdnD-4d72A:
2.1		 2hdnA-4d72A:
5.84
2hdnB-4d72A:
21.67
2hdnD-4d72A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eag EG:132E8.2 PROTEIN

(Drosophila
melanogaster) 		PF16579
(AdenylateSensor) 		4 SER A 468
ASP A 472
PRO A 470
SER A 466
 None
 1.42A 2hdnA-4eagA:
undetectable
2hdnB-4eagA:
undetectable
2hdnD-4eagA:
undetectable		 2hdnA-4eagA:
14.62
2hdnB-4eagA:
18.61
2hdnD-4eagA:
18.61
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.
4eal 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-1

(Rattus
norvegicus) 		PF16579
(AdenylateSensor) 		4 SER A 404
ASP A 408
PRO A 406
SER A 402
 None
 1.39A 2hdnA-4ealA:
undetectable
2hdnB-4ealA:
undetectable
2hdnD-4ealA:
undetectable		 2hdnA-4ealA:
12.26
2hdnB-4ealA:
15.76
2hdnD-4ealA:
15.76
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.
4hpn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 116
ASP A 357
PRO A 356
SER A 118
 None
 1.38A 2hdnA-4hpnA:
undetectable
2hdnB-4hpnA:
undetectable
2hdnD-4hpnA:
1.9		 2hdnA-4hpnA:
9.56
2hdnB-4hpnA:
23.66
2hdnD-4hpnA:
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.
4i8q PUTATIVE BETAINE
ALDEHYDE
DEHYROGENASE

(Solanum
lycopersicum) 		PF00171
(Aldedh) 		4 SER A 107
ASP A 110
PRO A 164
SER A  97
 None
 1.49A 2hdnA-4i8qA:
undetectable
2hdnB-4i8qA:
undetectable
2hdnD-4i8qA:
undetectable		 2hdnA-4i8qA:
6.73
2hdnB-4i8qA:
22.82
2hdnD-4i8qA:
22.82
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.
4iov CAPSID PROTEIN VP1

(Adeno-associated
virus) 		PF00740
(Parvo_coat) 		4 THR A 714
SER A 707
ASP A 713
SER A 706
 None
 1.40A 2hdnA-4iovA:
undetectable
2hdnB-4iovA:
undetectable
2hdnD-4iovA:
undetectable		 2hdnA-4iovA:
4.52
2hdnB-4iovA:
17.76
2hdnD-4iovA:
17.76
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.
4k7g 3-HYDROXYPROLINE
DEHYDRATSE

(Agrobacterium
vitis) 		PF05544
(Pro_racemase) 		4 SER B 223
ASP B  85
PRO B  88
SER B 173
 ACT  B 902 (-3.1A)
ACT  B 902 (-3.8A)
ACT  B 902 (-4.0A)
ACT  B 902 (-2.5A)
 1.34A 2hdnA-4k7gB:
undetectable
2hdnB-4k7gB:
undetectable
2hdnD-4k7gB:
undetectable		 2hdnA-4k7gB:
8.24
2hdnB-4k7gB:
22.52
2hdnD-4k7gB:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k9d GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Brugia malayi) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 THR A 109
SER A 129
ASP A 131
PRO A 133
 None
None
None
EDO  A 402 (-4.6A)
 1.41A 2hdnA-4k9dA:
undetectable
2hdnB-4k9dA:
undetectable
2hdnD-4k9dA:
undetectable		 2hdnA-4k9dA:
7.78
2hdnB-4k9dA:
23.45
2hdnD-4k9dA:
23.45
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.
4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC

(Rattus
norvegicus) 		no annotation 4 THR E  51
SER E 179
ASP E 182
PRO E  48
 None
 1.34A 2hdnA-4kprE:
undetectable
2hdnB-4kprE:
undetectable
2hdnD-4kprE:
undetectable		 2hdnA-4kprE:
6.16
2hdnB-4kprE:
22.64
2hdnD-4kprE:
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.
4kqn D-HYDANTOINASE

(Bacillus sp.
AR9) 		PF01979
(Amidohydro_1) 		4 THR A  87
SER A 369
PRO A  52
SER A 368
 THR  A  87 ( 0.8A)
SER  A 369 ( 0.0A)
PRO  A  52 ( 1.1A)
SER  A 368 ( 0.0A)
 1.45A 2hdnA-4kqnA:
undetectable
2hdnB-4kqnA:
3.2
2hdnD-4kqnA:
3.6		 2hdnA-4kqnA:
7.37
2hdnB-4kqnA:
22.64
2hdnD-4kqnA:
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.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT B,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF02934
(GatB_N) 		4 THR B 222
SER B 217
ASP B 219
SER B 216
 None
 1.30A 2hdnA-4n0iB:
undetectable
2hdnB-4n0iB:
undetectable
2hdnD-4n0iB:
undetectable		 2hdnA-4n0iB:
13.64
2hdnB-4n0iB:
24.04
2hdnD-4n0iB:
24.04
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.
4n74 PREDICTED OUTER
MEMBRANE PROTEIN AND
SURFACE ANTIGEN

(Escherichia
coli) 		PF01103
(Bac_surface_Ag) 		4 THR A 383
SER A 422
ASP A 423
SER A 416
 None
 1.16A 2hdnA-4n74A:
undetectable
2hdnB-4n74A:
undetectable
2hdnD-4n74A:
undetectable		 2hdnA-4n74A:
9.67
2hdnB-4n74A:
22.38
2hdnD-4n74A:
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.
4oe5 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		4 SER A 412
ASP A 438
PRO A 442
SER A 410
 None
 1.32A 2hdnA-4oe5A:
undetectable
2hdnB-4oe5A:
2.1
2hdnD-4oe5A:
undetectable		 2hdnA-4oe5A:
5.92
2hdnB-4oe5A:
20.71
2hdnD-4oe5A:
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.
4pl7 ACTIN,THYMOSIN
BETA-4

(Homo sapiens;
Komagataella
phaffii) 		PF00022
(Actin)
PF01290
(Thymosin) 		4 THR A 409
ASP A  25
PRO A  27
SER A 344
 None
 1.21A 2hdnA-4pl7A:
undetectable
2hdnB-4pl7A:
1.9
2hdnD-4pl7A:
2.3		 2hdnA-4pl7A:
7.18
2hdnB-4pl7A:
21.51
2hdnD-4pl7A:
21.51
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.
4pz2 ZMALDH

(Zea mays) 		PF00171
(Aldedh) 		4 THR A 132
SER A 187
ASP A 136
SER A 215
 None
 1.04A 2hdnA-4pz2A:
undetectable
2hdnB-4pz2A:
undetectable
2hdnD-4pz2A:
undetectable		 2hdnA-4pz2A:
5.72
2hdnB-4pz2A:
23.28
2hdnD-4pz2A:
23.28
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.
4rrf THREONINE--TRNA
LIGASE

(Methanocaldococcus
jannaschii) 		PF08915
(tRNA-Thr_ED) 		4 SER A  90
ASP A  50
PRO A  54
SER A  91
 A3S  A 501 (-3.6A)
None
None
None
 1.49A 2hdnA-4rrfA:
undetectable
2hdnB-4rrfA:
3.5
2hdnD-4rrfA:
4.3		 2hdnA-4rrfA:
14.18
2hdnB-4rrfA:
15.82
2hdnD-4rrfA:
15.82
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.
4u7l LEUCINE-RICH REPEATS
AND
IMMUNOGLOBULIN-LIKE
DOMAINS PROTEIN 1

(Homo sapiens) 		PF01463
(LRRCT)
PF13855
(LRR_8) 		4 THR A 348
SER A 299
ASP A 323
SER A 275
 None
 1.07A 2hdnA-4u7lA:
undetectable
2hdnB-4u7lA:
undetectable
2hdnD-4u7lA:
undetectable		 2hdnA-4u7lA:
6.58
2hdnB-4u7lA:
20.17
2hdnD-4u7lA:
20.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zv4 ELONGATION FACTOR TU

(Pseudomonas
aeruginosa) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 THR A  26
SER A  66
ASP A  81
PRO A  83
 MG  A 502 ( 3.1A)
None
MG  A 502 (-3.7A)
MG  A 502 ( 4.1A)
 0.54A 2hdnA-4zv4A:
undetectable
2hdnB-4zv4A:
42.2
2hdnD-4zv4A:
19.8		 2hdnA-4zv4A:
64.44
2hdnB-4zv4A:
84.41
2hdnD-4zv4A:
84.41
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.
5amp CELLOBIOHYDROLASE I

(Galactomyces
candidus) 		PF00840
(Glyco_hydro_7) 		4 SER A 229
ASP A 257
PRO A 227
SER A 355
 None
 1.44A 2hdnA-5ampA:
undetectable
2hdnB-5ampA:
undetectable
2hdnD-5ampA:
undetectable		 2hdnA-5ampA:
6.41
2hdnB-5ampA:
19.69
2hdnD-5ampA:
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.
5ayd BETA-1,4-MANNOOLIGOS
ACCHARIDE
PHOSPHORYLASE

(Ruminococcus
albus) 		PF04041
(Glyco_hydro_130) 		4 THR A 301
SER A  10
ASP A 298
PRO A  12
 None
 1.42A 2hdnA-5aydA:
undetectable
2hdnB-5aydA:
undetectable
2hdnD-5aydA:
undetectable		 2hdnA-5aydA:
8.20
2hdnB-5aydA:
22.75
2hdnD-5aydA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cww NUCLEOPORIN NUP82

(Chaetomium
thermophilum) 		no annotation 4 SER B 501
ASP B 495
PRO B 499
SER B 514
 None
 1.18A 2hdnA-5cwwB:
undetectable
2hdnB-5cwwB:
undetectable
2hdnD-5cwwB:
undetectable		 2hdnA-5cwwB:
4.77
2hdnB-5cwwB:
20.35
2hdnD-5cwwB:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cww NUCLEOPORIN NUP82

(Chaetomium
thermophilum) 		no annotation 4 THR B 497
SER B 501
ASP B 495
SER B 514
 None
 1.35A 2hdnA-5cwwB:
undetectable
2hdnB-5cwwB:
undetectable
2hdnD-5cwwB:
undetectable		 2hdnA-5cwwB:
4.77
2hdnB-5cwwB:
20.35
2hdnD-5cwwB:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e2w AT8 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER H  28
ASP H  77
PRO H  74
SER H  31
 None
 1.33A 2hdnA-5e2wH:
undetectable
2hdnB-5e2wH:
undetectable
2hdnD-5e2wH:
undetectable		 2hdnA-5e2wH:
16.67
2hdnB-5e2wH:
18.80
2hdnD-5e2wH:
18.80
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.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 THR A 730
SER A 618
ASP A 617
SER A 713
 None
 1.28A 2hdnA-5favA:
undetectable
2hdnB-5favA:
undetectable
2hdnD-5favA:
undetectable		 2hdnA-5favA:
4.28
2hdnB-5favA:
19.38
2hdnD-5favA:
19.38
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.
5fqe BETA-N-ACETYLGALACTO
SAMINIDASE

(Clostridium
perfringens) 		PF13320
(DUF4091) 		4 SER A 431
ASP A 428
PRO A 430
SER A 432
 None
BR  A1642 (-4.0A)
None
None
 1.38A 2hdnA-5fqeA:
undetectable
2hdnB-5fqeA:
2.6
2hdnD-5fqeA:
2.2		 2hdnA-5fqeA:
4.61
2hdnB-5fqeA:
18.20
2hdnD-5fqeA:
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.
5fqe BETA-N-ACETYLGALACTO
SAMINIDASE

(Clostridium
perfringens) 		PF13320
(DUF4091) 		4 THR A 424
ASP A 428
PRO A 430
SER A 436
 None
BR  A1642 (-4.0A)
None
None
 1.19A 2hdnA-5fqeA:
undetectable
2hdnB-5fqeA:
2.6
2hdnD-5fqeA:
2.2		 2hdnA-5fqeA:
4.61
2hdnB-5fqeA:
18.20
2hdnD-5fqeA:
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.
5iso 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-2

(Homo sapiens) 		PF00069
(Pkinase)
PF16579
(AdenylateSensor) 		4 SER A 410
ASP A 414
PRO A 412
SER A 408
 None
 1.36A 2hdnA-5isoA:
undetectable
2hdnB-5isoA:
undetectable
2hdnD-5isoA:
undetectable		 2hdnA-5isoA:
4.53
2hdnB-5isoA:
20.33
2hdnD-5isoA:
20.33
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.
5l8v DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Pyrococcus
furiosus) 		PF08423
(Rad51) 		4 THR A 176
SER A 239
ASP A 238
SER A 242
 None
 1.21A 2hdnA-5l8vA:
undetectable
2hdnB-5l8vA:
undetectable
2hdnD-5l8vA:
undetectable		 2hdnA-5l8vA:
11.44
2hdnB-5l8vA:
23.38
2hdnD-5l8vA:
23.38
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.
5tf2 PROLACTIN REGULATORY
ELEMENT-BINDING
PROTEIN

(Homo sapiens) 		PF00400
(WD40) 		4 THR A 367
SER A 309
PRO A 353
SER A 311
 None
 1.47A 2hdnA-5tf2A:
undetectable
2hdnB-5tf2A:
undetectable
2hdnD-5tf2A:
undetectable		 2hdnA-5tf2A:
6.41
2hdnB-5tf2A:
22.45
2hdnD-5tf2A:
22.45
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.
5ubz ANTI-HIV1 GP120 MAB
1E12 FAB HEAVY CHAIN

(Homo sapiens) 		no annotation 4 THR H  73
SER H  52
ASP H  52
SER H  52
 None
 1.13A 2hdnA-5ubzH:
undetectable
2hdnB-5ubzH:
undetectable
2hdnD-5ubzH:
undetectable		 2hdnA-5ubzH:
22.22
2hdnB-5ubzH:
13.65
2hdnD-5ubzH:
13.65
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.
5uto EDD DOMAIN PROTEIN,
DEGV FAMILY

(Staphylococcus
aureus) 		no annotation 4 SER A  56
ASP A  33
PRO A  60
SER A  55
 None
 1.40A 2hdnA-5utoA:
undetectable
2hdnB-5utoA:
undetectable
2hdnD-5utoA:
4.0		 2hdnA-5utoA:
14.67
2hdnB-5utoA:
12.99
2hdnD-5utoA:
12.99
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.
5vk2 FAB 37.7H HEAVY
CHAIN
PRE-GLYCOPROTEIN
POLYPROTEIN GP
COMPLEX

(Homo sapiens;
Lassa
mammarenavirus) 		PF00798
(Arena_glycoprot)
PF07654
(C1-set)
PF07686
(V-set) 		4 SER D 107
ASP a 268
PRO a 275
SER D 104
 None
 1.47A 2hdnA-5vk2D:
undetectable
2hdnB-5vk2D:
undetectable
2hdnD-5vk2D:
undetectable		 2hdnA-5vk2D:
12.44
2hdnB-5vk2D:
20.58
2hdnD-5vk2D:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w7z DNA POLYMERASE III
SUBUNIT BETA

(Rickettsia
conorii) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		4 SER A 354
ASP A 355
PRO A 359
SER A 256
 None
 1.43A 2hdnA-5w7zA:
undetectable
2hdnB-5w7zA:
undetectable
2hdnD-5w7zA:
undetectable		 2hdnA-5w7zA:
8.45
2hdnB-5w7zA:
22.82
2hdnD-5w7zA:
22.82
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.
6am0 KLLA0A01474P
KLLA0F23980P

(Kluyveromyces
lactis) 		no annotation 4 THR C 363
SER A  35
ASP A  33
PRO A  31
 None
 1.10A 2hdnA-6am0C:
undetectable
2hdnB-6am0C:
undetectable
2hdnD-6am0C:
undetectable		 2hdnA-6am0C:
25.00
2hdnB-6am0C:
8.23
2hdnD-6am0C:
8.23