SIMILAR PATTERNS OF AMINO ACIDS FOR 2HDN_D_TACD2888_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 SER A 144
THR A  56
SER A 146
ASP A  57
 None
 1.47A 2hdnB-1dtpA:
undetectable
2hdnC-1dtpA:
0.0
2hdnD-1dtpA:
undetectable		 2hdnB-1dtpA:
18.69
2hdnC-1dtpA:
16.67
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.
1gyd ARABINAN
ENDO-1,5-ALPHA-L-ARA
BINOSIDASE A

(Cellvibrio
japonicus) 		PF04616
(Glyco_hydro_43) 		4 SER B 119
SER B 147
ASP B 152
PRO B 149
 None
 1.33A 2hdnB-1gydB:
undetectable
2hdnC-1gydB:
0.0
2hdnD-1gydB:
undetectable		 2hdnB-1gydB:
21.17
2hdnC-1gydB:
9.21
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 SER A  41
THR A  17
SER A  38
ASP A  90
 None
 1.08A 2hdnB-1khtA:
3.0
2hdnC-1khtA:
0.0
2hdnD-1khtA:
3.9		 2hdnB-1khtA:
19.83
2hdnC-1khtA:
11.92
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 SER A 387
THR A 392
SER A 466
PRO A 390
 None
 1.41A 2hdnB-1kv9A:
undetectable
2hdnC-1kv9A:
0.0
2hdnD-1kv9A:
undetectable		 2hdnB-1kv9A:
19.31
2hdnC-1kv9A:
5.36
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 SER B  14
THR B   4
ASP B 204
PRO B 203
 None
 1.47A 2hdnB-1qs0B:
4.6
2hdnC-1qs0B:
0.0
2hdnD-1qs0B:
3.0		 2hdnB-1qs0B:
21.13
2hdnC-1qs0B:
7.55
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 2hdnB-1qu2A:
2.1
2hdnC-1qu2A:
0.0
2hdnD-1qu2A:
2.4		 2hdnB-1qu2A:
17.97
2hdnC-1qu2A:
5.45
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 SER A  48
THR A  41
ASP A 150
PRO A  76
 None
 1.41A 2hdnB-1sgwA:
0.1
2hdnC-1sgwA:
0.0
2hdnD-1sgwA:
undetectable		 2hdnB-1sgwA:
21.20
2hdnC-1sgwA:
15.00
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 SER A  50
THR A  43
ASP A 159
PRO A  82
 None
SO4  A 245 (-3.9A)
None
None
 1.37A 2hdnB-1vplA:
0.0
2hdnC-1vplA:
0.0
2hdnD-1vplA:
undetectable		 2hdnB-1vplA:
22.70
2hdnC-1vplA:
12.57
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 SER A 100
THR A 464
SER A 110
ASP A 461
 None
 1.23A 2hdnB-1w18A:
undetectable
2hdnC-1w18A:
0.0
2hdnD-1w18A:
0.0		 2hdnB-1w18A:
20.28
2hdnC-1w18A:
6.60
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  18
SER A  24
ASP A  26
PRO A  28
 None
 1.45A 2hdnB-1wlnA:
undetectable
2hdnC-1wlnA:
undetectable
2hdnD-1wlnA:
undetectable		 2hdnB-1wlnA:
16.12
2hdnC-1wlnA:
12.50
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 206
SER A 232
ASP A 237
PRO A 235
 None
 1.39A 2hdnB-1y6zA:
undetectable
2hdnC-1y6zA:
undetectable
2hdnD-1y6zA:
undetectable		 2hdnB-1y6zA:
22.35
2hdnC-1y6zA:
9.24
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
 1.45A 2hdnB-1ybeA:
undetectable
2hdnC-1ybeA:
undetectable
2hdnD-1ybeA:
undetectable		 2hdnB-1ybeA:
21.98
2hdnC-1ybeA:
6.83
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 115
SER A  93
ASP A  94
PRO A  92
 MLA  A 904 (-4.1A)
None
None
NAP  A 900 (-4.3A)
 1.43A 2hdnB-1ys4A:
undetectable
2hdnC-1ys4A:
undetectable
2hdnD-1ys4A:
1.9		 2hdnB-1ys4A:
22.28
2hdnC-1ys4A:
7.06
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 SER A 301
THR A 324
SER A 302
ASP A 321
 None
 1.28A 2hdnB-2drwA:
undetectable
2hdnC-2drwA:
undetectable
2hdnD-2drwA:
undetectable		 2hdnB-2drwA:
20.21
2hdnC-2drwA:
9.25
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 2hdnB-2lpdA:
undetectable
2hdnC-2lpdA:
undetectable
2hdnD-2lpdA:
undetectable		 2hdnB-2lpdA:
16.30
2hdnC-2lpdA:
15.79
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.
2qlv CARBON CATABOLITE
DEREPRESSING PROTEIN
KINASE

(Saccharomyces
cerevisiae) 		PF16579
(AdenylateSensor) 		4 SER A 511
SER A 513
ASP A 517
PRO A 515
 None
 1.32A 2hdnB-2qlvA:
undetectable
2hdnC-2qlvA:
undetectable
2hdnD-2qlvA:
undetectable		 2hdnB-2qlvA:
19.29
2hdnC-2qlvA:
11.24
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 402
SER A 404
ASP A 408
PRO A 406
 None
 1.34A 2hdnB-2v9jA:
undetectable
2hdnC-2v9jA:
undetectable
2hdnD-2v9jA:
undetectable		 2hdnB-2v9jA:
17.56
2hdnC-2v9jA:
11.46
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 SER A 252
THR A 258
SER A 254
ASP A 255
 None
 1.33A 2hdnB-2vxbA:
undetectable
2hdnC-2vxbA:
undetectable
2hdnD-2vxbA:
undetectable		 2hdnB-2vxbA:
21.15
2hdnC-2vxbA:
9.64
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 402
SER A 404
ASP A 408
PRO A 406
 None
 1.37A 2hdnB-2ya3A:
undetectable
2hdnC-2ya3A:
undetectable
2hdnD-2ya3A:
undetectable		 2hdnB-2ya3A:
20.18
2hdnC-2ya3A:
10.00
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.
3cg0 RESPONSE REGULATOR
RECEIVER MODULATED
DIGUANYLATE CYCLASE
WITH PAS/PAC SENSOR

(Desulfovibrio
alaskensis) 		PF00072
(Response_reg) 		4 SER A  88
THR A  94
SER A  89
ASP A  91
 None
 1.47A 2hdnB-3cg0A:
2.2
2hdnC-3cg0A:
undetectable
2hdnD-3cg0A:
undetectable		 2hdnB-3cg0A:
19.58
2hdnC-3cg0A:
20.17
2hdnD-3cg0A:
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		4 SER A 195
THR A 788
SER A 198
ASP A 822
 MD1  A1245 ( 4.5A)
MD1  A1245 (-3.5A)
MD1  A1245 ( 4.4A)
MD1  A1245 (-2.8A)
 1.19A 2hdnB-3egwA:
2.2
2hdnC-3egwA:
undetectable
2hdnD-3egwA:
2.2		 2hdnB-3egwA:
14.04
2hdnC-3egwA:
5.14
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.
3hf8 TRYPTOPHAN
5-HYDROXYLASE 1

(Homo sapiens) 		PF00351
(Biopterin_H) 		4 SER A 339
THR A 265
SER A 337
PRO A 262
 None
ML0  A 401 (-4.4A)
ML0  A 401 (-4.0A)
None
 1.38A 2hdnB-3hf8A:
undetectable
2hdnC-3hf8A:
undetectable
2hdnD-3hf8A:
undetectable		 2hdnB-3hf8A:
20.80
2hdnC-3hf8A:
8.80
2hdnD-3hf8A:
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.
3m1y PHOSPHOSERINE
PHOSPHATASE (SERB)

(Helicobacter
pylori) 		PF00702
(Hydrolase) 		4 SER A 117
THR A  18
SER A  96
ASP A  10
 None
 1.09A 2hdnB-3m1yA:
undetectable
2hdnC-3m1yA:
undetectable
2hdnD-3m1yA:
2.9		 2hdnB-3m1yA:
21.99
2hdnC-3m1yA:
15.13
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  72
SER C 219
ASP C 218
PRO C 143
 None
 0.94A 2hdnB-3mg0C:
undetectable
2hdnC-3mg0C:
undetectable
2hdnD-3mg0C:
undetectable		 2hdnB-3mg0C:
20.00
2hdnC-3mg0C:
10.81
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 SER A 116
THR A 107
SER A 117
ASP A  94
 None
 1.34A 2hdnB-3mzvA:
undetectable
2hdnC-3mzvA:
undetectable
2hdnD-3mzvA:
undetectable		 2hdnB-3mzvA:
22.43
2hdnC-3mzvA:
10.03
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 SER A 118
THR A  72
SER A 119
PRO A 157
 PEG  A 368 ( 4.5A)
None
None
None
 1.28A 2hdnB-3rf7A:
undetectable
2hdnC-3rf7A:
undetectable
2hdnD-3rf7A:
undetectable		 2hdnB-3rf7A:
21.05
2hdnC-3rf7A:
9.19
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.
3ut2 CATALASE-PEROXIDASE
2

(Magnaporthe
oryzae) 		PF00141
(peroxidase) 		4 SER A 423
THR A 267
SER A 288
ASP A 291
 HEM  A1500 (-3.4A)
None
None
None
 1.43A 2hdnB-3ut2A:
undetectable
2hdnC-3ut2A:
undetectable
2hdnD-3ut2A:
undetectable		 2hdnB-3ut2A:
18.72
2hdnC-3ut2A:
5.07
2hdnD-3ut2A:
18.72
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.
3vla EDGP

(Daucus carota) 		PF14541
(TAXi_C)
PF14543
(TAXi_N) 		4 SER A 185
THR A 405
SER A 183
ASP A 381
 None
 1.31A 2hdnB-3vlaA:
undetectable
2hdnC-3vlaA:
undetectable
2hdnD-3vlaA:
undetectable		 2hdnB-3vlaA:
21.56
2hdnC-3vlaA:
7.72
2hdnD-3vlaA:
21.56
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.
3ziu LEUCYL-TRNA
SYNTHETASE

(Mycoplasma
mobile) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 SER A 122
THR A  30
ASP A 124
PRO A  80
 None
 1.34A 2hdnB-3ziuA:
2.5
2hdnC-3ziuA:
undetectable
2hdnD-3ziuA:
3.1		 2hdnB-3ziuA:
21.23
2hdnC-3ziuA:
7.18
2hdnD-3ziuA:
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.
4bob ERPP PROTEIN

(Borreliella
burgdorferi) 		PF02471
(OspE) 		4 SER A 101
THR A  76
SER A  79
ASP A  65
 None
 1.27A 2hdnB-4bobA:
undetectable
2hdnC-4bobA:
undetectable
2hdnD-4bobA:
undetectable		 2hdnB-4bobA:
18.45
2hdnC-4bobA:
12.99
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 SER A 567
THR A 153
SER A 568
PRO A 150
 None
 1.24A 2hdnB-4ccaA:
undetectable
2hdnC-4ccaA:
undetectable
2hdnD-4ccaA:
undetectable		 2hdnB-4ccaA:
19.90
2hdnC-4ccaA:
5.00
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 594
SER A 761
ASP A 759
PRO A 794
 None
 1.42A 2hdnB-4d72A:
1.1
2hdnC-4d72A:
undetectable
2hdnD-4d72A:
2.1		 2hdnB-4d72A:
21.67
2hdnC-4d72A:
5.84
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.
4dap SUGAR FERMENTATION
STIMULATION PROTEIN
A

(Escherichia
coli) 		PF03749
(SfsA) 		4 SER A  74
THR A  46
SER A  72
ASP A  49
 None
 1.29A 2hdnB-4dapA:
2.1
2hdnC-4dapA:
undetectable
2hdnD-4dapA:
2.2		 2hdnB-4dapA:
22.69
2hdnC-4dapA:
13.66
2hdnD-4dapA:
22.69
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.
4eag EG:132E8.2 PROTEIN

(Drosophila
melanogaster) 		PF16579
(AdenylateSensor) 		4 SER A 466
SER A 468
ASP A 472
PRO A 470
 None
 1.40A 2hdnB-4eagA:
undetectable
2hdnC-4eagA:
undetectable
2hdnD-4eagA:
undetectable		 2hdnB-4eagA:
18.61
2hdnC-4eagA:
14.62
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 402
SER A 404
ASP A 408
PRO A 406
 None
 1.34A 2hdnB-4ealA:
undetectable
2hdnC-4ealA:
undetectable
2hdnD-4ealA:
undetectable		 2hdnB-4ealA:
15.76
2hdnC-4ealA:
12.26
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 118
SER A 116
ASP A 357
PRO A 356
 None
 1.31A 2hdnB-4hpnA:
undetectable
2hdnC-4hpnA:
undetectable
2hdnD-4hpnA:
2.0		 2hdnB-4hpnA:
23.66
2hdnC-4hpnA:
9.56
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  97
SER A 107
ASP A 110
PRO A 164
 None
 1.47A 2hdnB-4i8qA:
undetectable
2hdnC-4i8qA:
undetectable
2hdnD-4i8qA:
undetectable		 2hdnB-4i8qA:
22.82
2hdnC-4i8qA:
6.73
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 SER A 706
THR A 714
SER A 707
ASP A 713
 None
 1.42A 2hdnB-4iovA:
undetectable
2hdnC-4iovA:
undetectable
2hdnD-4iovA:
undetectable		 2hdnB-4iovA:
17.76
2hdnC-4iovA:
4.52
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 173
SER B 223
ASP B  85
PRO B  88
 ACT  B 902 (-2.5A)
ACT  B 902 (-3.1A)
ACT  B 902 (-3.8A)
ACT  B 902 (-4.0A)
 1.37A 2hdnB-4k7gB:
undetectable
2hdnC-4k7gB:
undetectable
2hdnD-4k7gB:
undetectable		 2hdnB-4k7gB:
22.52
2hdnC-4k7gB:
8.24
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)
 1.42A 2hdnB-4k9dA:
undetectable
2hdnC-4k9dA:
undetectable
2hdnD-4k9dA:
undetectable		 2hdnB-4k9dA:
23.45
2hdnC-4k9dA:
7.78
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 2hdnB-4kprE:
undetectable
2hdnC-4kprE:
undetectable
2hdnD-4kprE:
undetectable		 2hdnB-4kprE:
22.64
2hdnC-4kprE:
6.16
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 SER A 368
THR A  87
SER A 369
PRO A  52
 SER  A 368 ( 0.0A)
THR  A  87 ( 0.8A)
SER  A 369 ( 0.0A)
PRO  A  52 ( 1.1A)
 1.45A 2hdnB-4kqnA:
3.2
2hdnC-4kqnA:
undetectable
2hdnD-4kqnA:
3.3		 2hdnB-4kqnA:
22.64
2hdnC-4kqnA:
7.37
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 SER B 216
THR B 222
SER B 217
ASP B 219
 None
 1.33A 2hdnB-4n0iB:
undetectable
2hdnC-4n0iB:
undetectable
2hdnD-4n0iB:
undetectable		 2hdnB-4n0iB:
24.04
2hdnC-4n0iB:
13.64
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 SER A 416
THR A 383
SER A 422
ASP A 423
 None
 1.14A 2hdnB-4n74A:
undetectable
2hdnC-4n74A:
undetectable
2hdnD-4n74A:
undetectable		 2hdnB-4n74A:
22.38
2hdnC-4n74A:
9.67
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 410
SER A 412
ASP A 438
PRO A 442
 None
 1.39A 2hdnB-4oe5A:
2.0
2hdnC-4oe5A:
undetectable
2hdnD-4oe5A:
2.1		 2hdnB-4oe5A:
20.71
2hdnC-4oe5A:
5.92
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 SER A 344
THR A 409
ASP A  25
PRO A  27
 None
 1.24A 2hdnB-4pl7A:
1.9
2hdnC-4pl7A:
undetectable
2hdnD-4pl7A:
2.4		 2hdnB-4pl7A:
21.51
2hdnC-4pl7A:
7.18
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 SER A 215
THR A 132
SER A 187
ASP A 136
 None
 0.99A 2hdnB-4pz2A:
undetectable
2hdnC-4pz2A:
undetectable
2hdnD-4pz2A:
undetectable		 2hdnB-4pz2A:
23.28
2hdnC-4pz2A:
5.72
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.
4u7l LEUCINE-RICH REPEATS
AND
IMMUNOGLOBULIN-LIKE
DOMAINS PROTEIN 1

(Homo sapiens) 		PF01463
(LRRCT)
PF13855
(LRR_8) 		4 SER A 275
THR A 348
SER A 299
ASP A 323
 None
 1.13A 2hdnB-4u7lA:
undetectable
2hdnC-4u7lA:
undetectable
2hdnD-4u7lA:
undetectable		 2hdnB-4u7lA:
20.17
2hdnC-4u7lA:
6.58
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 2hdnB-4zv4A:
42.2
2hdnC-4zv4A:
undetectable
2hdnD-4zv4A:
19.8		 2hdnB-4zv4A:
84.41
2hdnC-4zv4A:
64.44
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.
5cww NUCLEOPORIN NUP82

(Chaetomium
thermophilum) 		no annotation 4 SER B 514
SER B 501
ASP B 495
PRO B 499
 None
 1.17A 2hdnB-5cwwB:
undetectable
2hdnC-5cwwB:
undetectable
2hdnD-5cwwB:
undetectable		 2hdnB-5cwwB:
20.35
2hdnC-5cwwB:
4.77
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 SER B 514
THR B 497
SER B 501
ASP B 495
 None
 1.37A 2hdnB-5cwwB:
undetectable
2hdnC-5cwwB:
undetectable
2hdnD-5cwwB:
undetectable		 2hdnB-5cwwB:
20.35
2hdnC-5cwwB:
4.77
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  31
SER H  28
ASP H  77
PRO H  74
 None
 1.37A 2hdnB-5e2wH:
undetectable
2hdnC-5e2wH:
undetectable
2hdnD-5e2wH:
undetectable		 2hdnB-5e2wH:
18.80
2hdnC-5e2wH:
16.67
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 SER A 713
THR A 730
SER A 618
ASP A 617
 None
 1.17A 2hdnB-5favA:
undetectable
2hdnC-5favA:
undetectable
2hdnD-5favA:
undetectable		 2hdnB-5favA:
19.38
2hdnC-5favA:
4.28
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 432
SER A 431
ASP A 428
PRO A 430
 None
None
BR  A1642 (-4.0A)
None
 1.37A 2hdnB-5fqeA:
2.5
2hdnC-5fqeA:
undetectable
2hdnD-5fqeA:
2.3		 2hdnB-5fqeA:
18.20
2hdnC-5fqeA:
4.61
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 SER A 436
THR A 424
ASP A 428
PRO A 430
 None
None
BR  A1642 (-4.0A)
None
 1.21A 2hdnB-5fqeA:
2.5
2hdnC-5fqeA:
undetectable
2hdnD-5fqeA:
2.3		 2hdnB-5fqeA:
18.20
2hdnC-5fqeA:
4.61
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 408
SER A 410
ASP A 414
PRO A 412
 None
 1.35A 2hdnB-5isoA:
undetectable
2hdnC-5isoA:
undetectable
2hdnD-5isoA:
undetectable		 2hdnB-5isoA:
20.33
2hdnC-5isoA:
4.53
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.
5l01 TRYPTOPHAN
5-HYDROXYLASE 1

(Homo sapiens) 		PF00351
(Biopterin_H) 		4 SER A 339
THR A 265
SER A 337
PRO A 262
 None
6Z4  A 502 (-4.4A)
6Z4  A 502 (-4.0A)
None
 1.32A 2hdnB-5l01A:
undetectable
2hdnC-5l01A:
undetectable
2hdnD-5l01A:
undetectable		 2hdnB-5l01A:
20.77
2hdnC-5l01A:
5.18
2hdnD-5l01A:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l8v DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Pyrococcus
furiosus) 		PF08423
(Rad51) 		4 SER A 242
THR A 176
SER A 239
ASP A 238
 None
 1.18A 2hdnB-5l8vA:
undetectable
2hdnC-5l8vA:
undetectable
2hdnD-5l8vA:
undetectable		 2hdnB-5l8vA:
23.38
2hdnC-5l8vA:
11.44
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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN9

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		4 SER O 202
THR O  46
SER O 204
ASP O  50
 None
 1.48A 2hdnB-5mpdO:
undetectable
2hdnC-5mpdO:
undetectable
2hdnD-5mpdO:
undetectable		 2hdnB-5mpdO:
21.65
2hdnC-5mpdO:
5.68
2hdnD-5mpdO:
21.65
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.
5tf2 PROLACTIN REGULATORY
ELEMENT-BINDING
PROTEIN

(Homo sapiens) 		PF00400
(WD40) 		4 SER A 311
THR A 367
SER A 309
PRO A 353
 None
 1.40A 2hdnB-5tf2A:
undetectable
2hdnC-5tf2A:
undetectable
2hdnD-5tf2A:
undetectable		 2hdnB-5tf2A:
22.45
2hdnC-5tf2A:
6.41
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 SER H  52
THR H  73
SER H  52
ASP H  52
 None
 1.12A 2hdnB-5ubzH:
undetectable
2hdnC-5ubzH:
undetectable
2hdnD-5ubzH:
undetectable		 2hdnB-5ubzH:
13.65
2hdnC-5ubzH:
22.22
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  55
SER A  56
ASP A  33
PRO A  60
 None
 1.40A 2hdnB-5utoA:
undetectable
2hdnC-5utoA:
undetectable
2hdnD-5utoA:
4.0		 2hdnB-5utoA:
12.99
2hdnC-5utoA:
14.67
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.
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 256
SER A 354
ASP A 355
PRO A 359
 None
 1.47A 2hdnB-5w7zA:
undetectable
2hdnC-5w7zA:
undetectable
2hdnD-5w7zA:
undetectable		 2hdnB-5w7zA:
22.82
2hdnC-5w7zA:
8.45
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 SER A  35
THR C 363
ASP A  33
PRO A  31
 None
 1.03A 2hdnB-6am0A:
undetectable
2hdnC-6am0A:
undetectable
2hdnD-6am0A:
undetectable		 2hdnB-6am0A:
14.83
2hdnC-6am0A:
14.29
2hdnD-6am0A:
14.83
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.
6b9g ATLASTIN-1

(Homo sapiens) 		no annotation 4 SER B 155
THR B 150
SER B 153
ASP B 152
 None
 1.35A 2hdnB-6b9gB:
5.1
2hdnC-6b9gB:
undetectable
2hdnD-6b9gB:
3.2		 2hdnB-6b9gB:
14.89
2hdnC-6b9gB:
19.23
2hdnD-6b9gB:
14.89