SIMILAR PATTERNS OF AMINO ACIDS FOR 1PNL_B_PACB559_0

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.
1cmx PROTEIN (UBIQUITIN
YUH1-UBAL)

(Saccharomyces
cerevisiae) 		PF01088
(Peptidase_C12) 		4 PHE A 115
SER A 124
PHE A 129
SER A 120
 None
 0.80A 1pnlA-1cmxA:
undetectable
1pnlB-1cmxA:
0.2		 1pnlA-1cmxA:
19.43
1pnlB-1cmxA:
16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cp9 PENICILLIN G AMIDASE

(Providencia
rettgeri) 		PF01804
(Penicil_amidase) 		6 SER B   1
PHE B  24
SER B  67
ALA B  69
ILE B 177
ASN B 241
 None
 0.48A 1pnlA-1cp9B:
0.0
1pnlB-1cp9B:
56.5		 1pnlA-1cp9B:
18.70
1pnlB-1cp9B:
64.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cp9 PENICILLIN G AMIDASE
PENICILLIN G AMIDASE

(Providencia
rettgeri;
Providencia
rettgeri) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		6 PHE A 144
SER B   1
PHE B  24
ALA B  69
ILE B 177
ASN B 241
 None
 0.48A 1pnlA-1cp9A:
22.8
1pnlB-1cp9A:
undetectable		 1pnlA-1cp9A:
64.25
1pnlB-1cp9A:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ft9 CARBON MONOXIDE
OXIDATION SYSTEM
TRANSCRIPTION
REGULATOR

(Rhodospirillum
rubrum) 		PF13545
(HTH_Crp_2) 		4 MET A 108
PHE A  19
PHE A  98
ILE A   7
 None
None
HEM  A 300 (-4.8A)
None
 1.06A 1pnlA-1ft9A:
0.0
1pnlB-1ft9A:
0.0		 1pnlA-1ft9A:
21.60
1pnlB-1ft9A:
17.48
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.
1k3v CAPSID PROTEIN VP2

(Ungulate
protoparvovirus
1) 		PF00740
(Parvo_coat) 		4 SER A  90
ALA A 101
ILE A 234
ASN A  87
 None
 1.13A 1pnlA-1k3vA:
0.0
1pnlB-1k3vA:
0.0		 1pnlA-1k3vA:
17.06
1pnlB-1k3vA:
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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		5 SER B   1
SER B  67
ALA B  69
ILE B 177
ASN B 241
 GRO  B 601 (-2.3A)
GRO  B 601 (-4.6A)
GRO  B 601 (-3.0A)
GRO  B 601 ( 4.4A)
GRO  B 601 (-3.7A)
 0.35A 1pnlA-1k5sB:
0.0
1pnlB-1k5sB:
59.2		 1pnlA-1k5sB:
16.67
1pnlB-1k5sB:
99.64
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.
1kzh PHOSPHOFRUCTOKINASE

(Borreliella
burgdorferi) 		PF00365
(PFK) 		4 SER A  59
ALA A 477
ILE A 476
ASN A 449
 None
 1.05A 1pnlA-1kzhA:
0.0
1pnlB-1kzhA:
0.0		 1pnlA-1kzhA:
15.29
1pnlB-1kzhA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rdu CONSERVED
HYPOTHETICAL PROTEIN

(Thermotoga
maritima) 		PF02579
(Nitro_FeMo-Co) 		4 PHE A  21
PHE A  27
SER A  18
ALA A  68
 None
 1.01A 1pnlA-1rduA:
undetectable
1pnlB-1rduA:
undetectable		 1pnlA-1rduA:
23.39
1pnlB-1rduA:
14.23
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.
1uar RHODANESE

(Thermus
thermophilus) 		PF00581
(Rhodanese) 		4 SER A 247
ALA A 243
ILE A 242
ASN A 264
 None
 0.87A 1pnlA-1uarA:
0.0
1pnlB-1uarA:
undetectable		 1pnlA-1uarA:
21.55
1pnlB-1uarA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ub3 ALDOLASE PROTEIN

(Thermus
thermophilus) 		PF01791
(DeoC) 		4 MET A 194
SER A 153
ALA A 182
ILE A 185
 None
None
HPD  A 801 (-3.2A)
None
 0.88A 1pnlA-1ub3A:
undetectable
1pnlB-1ub3A:
0.0		 1pnlA-1ub3A:
21.72
1pnlB-1ub3A:
16.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ydn HYDROXYMETHYLGLUTARY
L-COA LYASE

(Brucella
melitensis) 		PF00682
(HMGL-like) 		4 SER A 141
SER A 107
ALA A 102
ILE A 115
 None
 1.09A 1pnlA-1ydnA:
undetectable
1pnlB-1ydnA:
undetectable		 1pnlA-1ydnA:
21.58
1pnlB-1ydnA:
18.68
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.
1yrv UBIQUITIN-CONJUGATIN
G LIGASE MGC351130

(Homo sapiens) 		PF00179
(UQ_con) 		4 PHE A 147
ALA A 129
ILE A 132
ASN A 126
 None
 1.03A 1pnlA-1yrvA:
undetectable
1pnlB-1yrvA:
undetectable		 1pnlA-1yrvA:
21.86
1pnlB-1yrvA:
13.73
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.
1zl6 BOTULINUM NEUROTOXIN
TYPE E

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 PHE A 123
PHE A 302
SER A 129
ILE A 125
 None
 0.99A 1pnlA-1zl6A:
undetectable
1pnlB-1zl6A:
0.3		 1pnlA-1zl6A:
19.62
1pnlB-1zl6A:
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.
1zrt CYTOCHROME C1

(Rhodobacter
capsulatus) 		PF02167
(Cytochrom_C1) 		4 PHE D  11
SER D 210
ALA D 104
ILE D 131
 None
None
None
HEC  D 501 ( 4.9A)
 1.17A 1pnlA-1zrtD:
undetectable
1pnlB-1zrtD:
1.4		 1pnlA-1zrtD:
21.85
1pnlB-1zrtD:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bde CYTOSOLIC IMP-GMP
SPECIFIC
5'-NUCLEOTIDASE

(Legionella
pneumophila) 		PF05761
(5_nucleotid) 		4 PHE A 251
ALA A 245
ILE A 242
ASN A 210
 None
 1.17A 1pnlA-2bdeA:
undetectable
1pnlB-2bdeA:
3.2		 1pnlA-2bdeA:
19.44
1pnlB-2bdeA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ekn PROBABLE MOLYBDENUM
COFACTOR
BIOSYNTHESIS PROTEIN
C

(Pyrococcus
horikoshii) 		PF01967
(MoaC) 		4 PHE A  88
ALA A  56
ILE A  60
ASN A  53
 None
 1.17A 1pnlA-2eknA:
undetectable
1pnlB-2eknA:
undetectable		 1pnlA-2eknA:
24.19
1pnlB-2eknA:
14.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gfp MULTIDRUG RESISTANCE
PROTEIN D

(Escherichia
coli) 		PF07690
(MFS_1) 		4 PHE A 257
ALA A 133
ILE A 253
ASN A 134
 None
 1.16A 1pnlA-2gfpA:
undetectable
1pnlB-2gfpA:
undetectable		 1pnlA-2gfpA:
18.47
1pnlB-2gfpA:
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.
2hqm GLUTATHIONE
REDUCTASE

(Saccharomyces
cerevisiae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 PHE A 141
SER A 331
ILE A 316
ASN A 325
 None
 1.00A 1pnlA-2hqmA:
undetectable
1pnlB-2hqmA:
undetectable		 1pnlA-2hqmA:
16.14
1pnlB-2hqmA:
23.39
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.
2hz7 GLUTAMINYL-TRNA
SYNTHETASE

(Deinococcus
radiodurans) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 MET A 106
SER A 121
ALA A 123
ILE A 122
 None
 1.17A 1pnlA-2hz7A:
undetectable
1pnlB-2hz7A:
undetectable		 1pnlA-2hz7A:
13.48
1pnlB-2hz7A:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		4 MET A 254
PHE A 295
ALA A 277
ILE A 278
 None
 1.05A 1pnlA-2isqA:
undetectable
1pnlB-2isqA:
undetectable		 1pnlA-2isqA:
20.55
1pnlB-2isqA:
19.34
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.
2jcj N-ACETYLLACTOSAMINID
E
ALPHA-1,3-GALACTOSYL
TRANSFERASE

(Bos taurus) 		PF03414
(Glyco_transf_6) 		4 MET A 354
PHE A 147
ALA A 282
ILE A 283
 None
None
MN  A1367 ( 4.9A)
None
 1.19A 1pnlA-2jcjA:
undetectable
1pnlB-2jcjA:
undetectable		 1pnlA-2jcjA:
23.55
1pnlB-2jcjA:
19.68
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.
2kfy HETEROGENEOUS
NUCLEAR
RIBONUCLEOPROTEIN F

(Homo sapiens) 		no annotation 4 PHE A  45
SER A  54
ALA A  57
ILE A  46
 None
 1.18A 1pnlA-2kfyA:
undetectable
1pnlB-2kfyA:
undetectable		 1pnlA-2kfyA:
22.60
1pnlB-2kfyA:
12.01
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.
2knj MICROPLUSIN
PREPROTEIN

(Rhipicephalus
microplus) 		no annotation 4 PHE A  32
PHE A  65
ALA A  35
ASN A  34
 None
 1.02A 1pnlA-2knjA:
undetectable
1pnlB-2knjA:
undetectable		 1pnlA-2knjA:
16.27
1pnlB-2knjA:
9.21
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.
2o2g DIENELACTONE
HYDROLASE

(Trichormus
variabilis) 		PF01738
(DLH) 		4 PHE A 200
SER A 143
ALA A 120
ASN A  52
 None
None
SO4  A 223 (-3.6A)
SO4  A 223 (-3.3A)
 0.98A 1pnlA-2o2gA:
undetectable
1pnlB-2o2gA:
undetectable		 1pnlA-2o2gA:
21.25
1pnlB-2o2gA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 MET A 680
SER A 651
ILE A 758
ASN A 803
 None
ACT  A 950 ( 2.0A)
None
None
 0.84A 1pnlA-2qo3A:
undetectable
1pnlB-2qo3A:
undetectable		 1pnlA-2qo3A:
13.65
1pnlB-2qo3A:
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.
2ril ANTIBIOTIC
BIOSYNTHESIS
MONOOXYGENASE

(Shewanella
loihica) 		PF03992
(ABM) 		4 SER A  40
ALA A  59
ILE A  60
ASN A  57
 ACT  A 100 (-2.4A)
None
ACT  A 100 ( 3.9A)
CL  A  99 (-4.1A)
 1.20A 1pnlA-2rilA:
undetectable
1pnlB-2rilA:
undetectable		 1pnlA-2rilA:
21.21
1pnlB-2rilA:
11.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vd9 ALANINE RACEMASE

(Bacillus
anthracis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 SER A 235
ALA A 210
ILE A 238
ASN A 208
 None
None
None
IN5  A1394 ( 4.5A)
 1.20A 1pnlA-2vd9A:
undetectable
1pnlB-2vd9A:
undetectable		 1pnlA-2vd9A:
21.21
1pnlB-2vd9A:
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.
2w07 MINOR PILIN SUBUNIT
PAPF

(Escherichia
coli) 		PF00419
(Fimbrial) 		4 SER B 122
ALA B  84
ILE B  83
ASN B  72
 None
 1.21A 1pnlA-2w07B:
undetectable
1pnlB-2w07B:
undetectable		 1pnlA-2w07B:
22.38
1pnlB-2w07B:
13.32
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.
2w8i PUTATIVE OUTER
MEMBRANE LIPOPROTEIN
WZA

(Escherichia
coli) 		PF02563
(Poly_export)
PF10531
(SLBB) 		4 MET A 326
SER A 293
ALA A 295
ILE A 298
 None
 1.11A 1pnlA-2w8iA:
undetectable
1pnlB-2w8iA:
undetectable		 1pnlA-2w8iA:
22.02
1pnlB-2w8iA:
22.26
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.
2wsx L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Escherichia
coli) 		PF02028
(BCCT) 		4 MET A 408
PHE A 411
SER A 109
ILE A 395
 None
 0.85A 1pnlA-2wsxA:
0.7
1pnlB-2wsxA:
undetectable		 1pnlA-2wsxA:
18.43
1pnlB-2wsxA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x3k ACSD

(Dickeya
chrysanthemi) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		4 MET A  45
SER A  91
PHE A  75
ALA A  52
 None
 1.01A 1pnlA-2x3kA:
undetectable
1pnlB-2x3kA:
2.6		 1pnlA-2x3kA:
15.65
1pnlB-2x3kA:
23.01
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.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Thermosynechococcus
elongatus) 		PF00148
(Oxidored_nitro) 		4 PHE B  39
SER B  22
ALA B  20
ILE B  19
 None
 1.02A 1pnlA-2xdqB:
undetectable
1pnlB-2xdqB:
undetectable		 1pnlA-2xdqB:
17.08
1pnlB-2xdqB:
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.
2xry DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE

(Methanosarcina
mazei) 		PF00875
(DNA_photolyase) 		4 PHE A  39
SER A   1
ALA A  42
ILE A  43
 None
 0.89A 1pnlA-2xryA:
undetectable
1pnlB-2xryA:
undetectable		 1pnlA-2xryA:
17.15
1pnlB-2xryA:
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.
3ab4 ASPARTOKINASE

(Corynebacterium
glutamicum) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		4 SER A  94
ALA A  82
ILE A  85
ASN A  78
 None
 1.15A 1pnlA-3ab4A:
undetectable
1pnlB-3ab4A:
undetectable		 1pnlA-3ab4A:
19.37
1pnlB-3ab4A:
21.47
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.
3bfg CLASS A
BETA-LACTAMASE SED1

(Citrobacter
sedlakii) 		PF13354
(Beta-lactamase2) 		4 MET A  75
PHE A 160
SER A 154
ILE A 155
 None
 1.17A 1pnlA-3bfgA:
undetectable
1pnlB-3bfgA:
undetectable		 1pnlA-3bfgA:
24.06
1pnlB-3bfgA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dyj TALIN-1

(Mus musculus) 		no annotation 4 MET A2215
PHE A2160
ALA A2244
ASN A2245
 None
 1.10A 1pnlA-3dyjA:
undetectable
1pnlB-3dyjA:
undetectable		 1pnlA-3dyjA:
19.76
1pnlB-3dyjA:
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.
3e4e CYTOCHROME P450 2E1

(Homo sapiens) 		PF00067
(p450) 		4 PHE A 106
ALA A 105
ILE A 236
ASN A 219
 None
 1.05A 1pnlA-3e4eA:
undetectable
1pnlB-3e4eA:
undetectable		 1pnlA-3e4eA:
16.74
1pnlB-3e4eA:
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.
3flo DNA POLYMERASE ALPHA
SUBUNIT B
DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT A

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF04042
(DNA_pol_E_B)
PF08418
(Pol_alpha_B_N)
PF08996
(zf-DNA_Pol) 		4 MET A 250
SER A 493
ALA A 496
ILE B1338
 None
 1.10A 1pnlA-3floA:
undetectable
1pnlB-3floA:
undetectable		 1pnlA-3floA:
18.00
1pnlB-3floA:
22.26
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.
3hpf MUCONATE
CYCLOISOMERASE

(Oceanobacillus
iheyensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 PHE A 119
PHE A  70
ALA A 109
ILE A 114
 None
 0.91A 1pnlA-3hpfA:
undetectable
1pnlB-3hpfA:
undetectable		 1pnlA-3hpfA:
19.34
1pnlB-3hpfA:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF03598
(CdhC) 		4 PHE M 644
SER M 624
ALA M 603
ILE M 601
 None
 1.18A 1pnlA-3i04M:
undetectable
1pnlB-3i04M:
undetectable		 1pnlA-3i04M:
13.53
1pnlB-3i04M:
22.12
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.
3jcm U4/U6 SMALL NUCLEAR
RIBONUCLEOPROTEIN
PRP4

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 SER B 442
SER B 182
ALA B 180
ILE B 224
 None
 1.09A 1pnlA-3jcmB:
undetectable
1pnlB-3jcmB:
undetectable		 1pnlA-3jcmB:
16.34
1pnlB-3jcmB:
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.
3kgw ALANINE-GLYOXYLATE
AMINOTRANSFERASE

(Mus musculus) 		PF00266
(Aminotran_5) 		4 MET A 225
PHE A  90
SER A 209
ILE A 215
 None
 1.10A 1pnlA-3kgwA:
undetectable
1pnlB-3kgwA:
undetectable		 1pnlA-3kgwA:
17.35
1pnlB-3kgwA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khy PROPIONATE KINASE

(Francisella
tularensis) 		PF00871
(Acetate_kinase) 		4 MET A 275
SER A 297
ALA A 292
ILE A 293
 None
 0.94A 1pnlA-3khyA:
undetectable
1pnlB-3khyA:
undetectable		 1pnlA-3khyA:
18.75
1pnlB-3khyA:
20.52
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.
3lsg TWO-COMPONENT
RESPONSE REGULATOR
YESN

(Fusobacterium
nucleatum) 		PF12833
(HTH_18) 		4 MET A 189
ALA A 153
ILE A 157
ASN A 152
 None
 0.92A 1pnlA-3lsgA:
undetectable
1pnlB-3lsgA:
undetectable		 1pnlA-3lsgA:
19.31
1pnlB-3lsgA:
11.58
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.
3m1t PUTATIVE
PHOSPHOHYDROLASE

(Shewanella
amazonensis) 		PF08668
(HDOD) 		4 MET A 269
PHE A 110
ALA A 113
ILE A 114
 None
 0.71A 1pnlA-3m1tA:
undetectable
1pnlB-3m1tA:
undetectable		 1pnlA-3m1tA:
20.43
1pnlB-3m1tA:
20.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ml0 PENICILLIN G
ACYLASE, ALPHA
SUBUNIT
PENICILLIN G
ACYLASE, BETA
SUBUNIT

(Alcaligenes
faecalis;
Alcaligenes
faecalis) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		6 MET A 143
PHE A 147
SER B   1
PHE B  24
ALA B  69
ASN B 241
 None
 0.54A 1pnlA-3ml0A:
22.3
1pnlB-3ml0A:
undetectable		 1pnlA-3ml0A:
46.01
1pnlB-3ml0A:
16.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ml0 PENICILLIN G
ACYLASE, ALPHA
SUBUNIT
PENICILLIN G
ACYLASE, BETA
SUBUNIT

(Alcaligenes
faecalis;
Alcaligenes
faecalis) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		5 MET A 143
PHE A 147
SER B   1
PHE B  24
ILE B 177
 None
 0.59A 1pnlA-3ml0A:
22.3
1pnlB-3ml0A:
undetectable		 1pnlA-3ml0A:
46.01
1pnlB-3ml0A:
16.57
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.
3ngj DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Entamoeba
histolytica) 		PF01791
(DeoC) 		4 MET A 197
SER A 156
ALA A 185
ILE A 188
 None
 0.91A 1pnlA-3ngjA:
undetectable
1pnlB-3ngjA:
undetectable		 1pnlA-3ngjA:
19.67
1pnlB-3ngjA:
16.46
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.
3nzt GLUTAMATE--CYSTEINE
LIGASE

(Francisella
tularensis) 		PF04262
(Glu_cys_ligase) 		4 MET A 336
PHE A 142
PHE A 140
ILE A   7
 None
 1.15A 1pnlA-3nztA:
undetectable
1pnlB-3nztA:
undetectable		 1pnlA-3nztA:
18.47
1pnlB-3nztA:
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.
3q4d MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY
POSSIBLE
CHLOROMUCONATE
CYCLOISOMERASE

(Cytophaga
hutchinsonii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A  49
PHE A  51
ALA A  29
ASN A  31
 None
ALA  A2473 ( 4.6A)
None
None
 1.16A 1pnlA-3q4dA:
undetectable
1pnlB-3q4dA:
undetectable		 1pnlA-3q4dA:
20.45
1pnlB-3q4dA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3thc BETA-GALACTOSIDASE

(Homo sapiens) 		PF01301
(Glyco_hydro_35)
PF13364
(BetaGal_dom4_5) 		4 SER A 302
PHE A  48
SER A  52
ILE A 119
 None
 0.85A 1pnlA-3thcA:
undetectable
1pnlB-3thcA:
undetectable		 1pnlA-3thcA:
15.02
1pnlB-3thcA:
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.
3tqq METHIONYL-TRNA
FORMYLTRANSFERASE

(Coxiella
burnetii) 		PF00551
(Formyl_trans_N)
PF02911
(Formyl_trans_C) 		4 PHE A 258
SER A 272
ALA A 274
ILE A 279
 None
 1.05A 1pnlA-3tqqA:
undetectable
1pnlB-3tqqA:
undetectable		 1pnlA-3tqqA:
19.38
1pnlB-3tqqA:
20.47
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.
3zph CHALCONE ISOMERASE

(Eubacterium
ramulus) 		no annotation 4 MET A  68
SER A 269
ILE A  29
ASN A 271
 None
 0.98A 1pnlA-3zphA:
undetectable
1pnlB-3zphA:
undetectable		 1pnlA-3zphA:
24.34
1pnlB-3zphA:
18.56
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.
3zxy SUBTILISIN-LIKE
PROTEIN

(Prochloron
didemni) 		PF00082
(Peptidase_S8) 		4 PHE A  67
SER A 225
ALA A 229
ILE A 115
 None
 1.20A 1pnlA-3zxyA:
undetectable
1pnlB-3zxyA:
undetectable		 1pnlA-3zxyA:
23.47
1pnlB-3zxyA:
19.45
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.
4be3 ALGINATE LYASE,
FAMILY PL7

(Zobellia
galactanivorans) 		PF08787
(Alginate_lyase2) 		4 SER A 130
SER A 140
ALA A 317
ASN A  91
 None
 0.93A 1pnlA-4be3A:
undetectable
1pnlB-4be3A:
undetectable		 1pnlA-4be3A:
20.99
1pnlB-4be3A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c41 CORTICOSTEROID-BINDI
NG GLOBULIN

(Homo sapiens) 		PF00079
(Serpin) 		4 SER A  44
SER A 341
ALA A 327
ILE A 160
 None
 1.20A 1pnlA-4c41A:
undetectable
1pnlB-4c41A:
undetectable		 1pnlA-4c41A:
20.49
1pnlB-4c41A:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dyo ASPARTYL
AMINOPEPTIDASE

(Homo sapiens) 		PF02127
(Peptidase_M18) 		4 SER A 268
SER A 344
ALA A  93
ILE A 417
 None
 1.13A 1pnlA-4dyoA:
undetectable
1pnlB-4dyoA:
undetectable		 1pnlA-4dyoA:
15.91
1pnlB-4dyoA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4emy AMINOTRANSFERASE
CLASS I AND II

(Anaerococcus
prevotii) 		PF00155
(Aminotran_1_2) 		4 PHE A 249
SER A 100
ALA A 270
ILE A 102
 None
 0.94A 1pnlA-4emyA:
undetectable
1pnlB-4emyA:
undetectable		 1pnlA-4emyA:
22.08
1pnlB-4emyA:
22.50
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.
4f2n SUPEROXIDE DISMUTASE

(Leishmania
major) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 PHE A  99
SER A 174
ALA A 176
ASN A 107
 None
 1.00A 1pnlA-4f2nA:
undetectable
1pnlB-4f2nA:
undetectable		 1pnlA-4f2nA:
18.58
1pnlB-4f2nA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 PHE A 789
ALA A 783
ILE A 110
ASN A 780
 None
 1.20A 1pnlA-4f4cA:
undetectable
1pnlB-4f4cA:
2.3		 1pnlA-4f4cA:
9.39
1pnlB-4f4cA:
18.75
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.
4fdu PUTATIVE MULTIPLE
INOSITOL
POLYPHOSPHATE
HISTIDINE
PHOSPHATASE 1

(Bacteroides
thetaiotaomicron) 		PF00328
(His_Phos_2) 		4 PHE A 321
SER A 173
ALA A 144
ILE A 143
 None
 1.12A 1pnlA-4fduA:
undetectable
1pnlB-4fduA:
undetectable		 1pnlA-4fduA:
18.56
1pnlB-4fduA:
21.34
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.
4h3e SUPEROXIDE DISMUTASE

(Trypanosoma
cruzi) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 PHE A 101
SER A 177
ALA A 179
ASN A 109
 None
 0.99A 1pnlA-4h3eA:
undetectable
1pnlB-4h3eA:
undetectable		 1pnlA-4h3eA:
20.24
1pnlB-4h3eA:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h6w N-TERMINAL
CYANOBACTIN PROTEASE

(Planktothrix
agardhii) 		PF00082
(Peptidase_S8) 		4 PHE A  70
SER A 228
ALA A 232
ILE A 118
 None
 1.16A 1pnlA-4h6wA:
undetectable
1pnlB-4h6wA:
undetectable		 1pnlA-4h6wA:
21.90
1pnlB-4h6wA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k8f TRANSCRIPTIONAL
REGULATOR, CRP/FNR
FAMILY

(Rhodospirillum
rubrum) 		no annotation 4 MET A 108
PHE A  19
PHE A  98
ILE A   7
 None
None
HEM  A 300 (-4.6A)
None
 1.05A 1pnlA-4k8fA:
undetectable
1pnlB-4k8fA:
undetectable		 1pnlA-4k8fA:
18.66
1pnlB-4k8fA:
12.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE

(Sinorhizobium
meliloti) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 SER A 301
ALA A 286
ILE A 287
ASN A 125
 None
 1.12A 1pnlA-4koaA:
undetectable
1pnlB-4koaA:
1.8		 1pnlA-4koaA:
22.02
1pnlB-4koaA:
21.57
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		4 PHE A 362
PHE A 307
ALA A 427
ILE A 365
 None
 1.09A 1pnlA-4kriA:
undetectable
1pnlB-4kriA:
undetectable		 1pnlA-4kriA:
20.46
1pnlB-4kriA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lan URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Cordyceps
militaris) 		PF04909
(Amidohydro_2) 		4 SER A  95
ALA A 136
ILE A 163
ASN A 117
 None
 1.01A 1pnlA-4lanA:
undetectable
1pnlB-4lanA:
undetectable		 1pnlA-4lanA:
19.74
1pnlB-4lanA:
21.31
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.
4m8j L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Proteus
mirabilis) 		PF02028
(BCCT) 		4 MET A 408
PHE A 411
SER A 109
ILE A 395
 None
 0.96A 1pnlA-4m8jA:
undetectable
1pnlB-4m8jA:
undetectable		 1pnlA-4m8jA:
18.32
1pnlB-4m8jA:
21.46
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.
4oh1 L-IDITOL
2-DEHYDROGENASE

([Clostridium]
scindens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 PHE A 333
PHE A 129
ALA A 332
ILE A 344
 None
 1.15A 1pnlA-4oh1A:
undetectable
1pnlB-4oh1A:
undetectable		 1pnlA-4oh1A:
20.41
1pnlB-4oh1A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ovk PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		4 MET A 317
ALA A 296
ILE A 260
ASN A 263
 None
 1.14A 1pnlA-4ovkA:
undetectable
1pnlB-4ovkA:
undetectable		 1pnlA-4ovkA:
19.94
1pnlB-4ovkA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pds SERINE/THREONINE-PRO
TEIN KINASE RAD53

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		4 MET A 394
PHE A 442
ALA A 457
ILE A 307
 None
 1.21A 1pnlA-4pdsA:
undetectable
1pnlB-4pdsA:
undetectable		 1pnlA-4pdsA:
20.46
1pnlB-4pdsA:
21.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pel PENICILLIN G ACYLASE
SUBUNIT ALPHA
PENICILLIN G ACYLASE
SUBUNIT BETA

(Kluyvera
cryocrescens;
Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		6 MET A 142
PHE B  24
SER B  67
ALA B  69
ILE B 177
ASN B 241
 None
 0.56A 1pnlA-4pelA:
25.1
1pnlB-4pelA:
undetectable		 1pnlA-4pelA:
72.34
1pnlB-4pelA:
17.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pel PENICILLIN G ACYLASE
SUBUNIT ALPHA
PENICILLIN G ACYLASE
SUBUNIT BETA

(Kluyvera
cryocrescens;
Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		4 PHE A 146
PHE B  24
SER B  67
ILE B 177
 None
 0.87A 1pnlA-4pelA:
25.1
1pnlB-4pelA:
undetectable		 1pnlA-4pelA:
72.34
1pnlB-4pelA:
17.09
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.
4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 SER A 354
SER A  95
ALA A  99
ASN A 100
 None
 0.92A 1pnlA-4ubtA:
undetectable
1pnlB-4ubtA:
undetectable		 1pnlA-4ubtA:
18.02
1pnlB-4ubtA:
22.32
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.
4woq N-ACETYLNEURAMINATE
LYASE

(Clostridioides
difficile) 		PF00701
(DHDPS) 		4 SER A 115
ALA A 113
ILE A  88
ASN A 142
 None
 1.12A 1pnlA-4woqA:
undetectable
1pnlB-4woqA:
undetectable		 1pnlA-4woqA:
20.52
1pnlB-4woqA:
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.
4x3n CALCIUM-REGULATED
ACTIN-BUNDLING
PROTEIN

(Dictyostelium
discoideum) 		no annotation 4 MET A  31
PHE A  34
SER A 152
ALA A  38
 None
 1.12A 1pnlA-4x3nA:
undetectable
1pnlB-4x3nA:
2.2		 1pnlA-4x3nA:
20.52
1pnlB-4x3nA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yeh LECTIN

(Cicer arietinum) 		PF00045
(Hemopexin) 		4 SER A  67
PHE A  21
ALA A  75
ILE A  86
 None
 1.17A 1pnlA-4yehA:
undetectable
1pnlB-4yehA:
undetectable		 1pnlA-4yehA:
19.33
1pnlB-4yehA:
17.38
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.
4zwn MONOGLYCERIDE LIPASE

(Saccharomyces
cerevisiae) 		PF12146
(Hydrolase_4) 		4 SER A 123
SER A 282
ILE A 189
ASN A 254
 None
 1.00A 1pnlA-4zwnA:
undetectable
1pnlB-4zwnA:
undetectable		 1pnlA-4zwnA:
21.18
1pnlB-4zwnA:
19.46
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.
5dan 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE

(Thermotoga
maritima) 		PF00248
(Aldo_ket_red) 		4 PHE A 149
SER A 161
ALA A 157
ILE A 165
 None
 1.18A 1pnlA-5danA:
undetectable
1pnlB-5danA:
undetectable		 1pnlA-5danA:
19.78
1pnlB-5danA:
18.65
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.
5dgt BENZOYLFORMATE
DECARBOXYLASE

(Pseudomonas
putida) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 PHE A 405
SER A  88
SER A  83
ALA A 399
 None
 1.15A 1pnlA-5dgtA:
undetectable
1pnlB-5dgtA:
undetectable		 1pnlA-5dgtA:
16.87
1pnlB-5dgtA:
21.64
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.
5dp2 CURF

(Lyngbya
majuscula) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		4 PHE A 320
PHE A 108
ALA A 319
ILE A 332
 None
 1.04A 1pnlA-5dp2A:
undetectable
1pnlB-5dp2A:
0.5		 1pnlA-5dp2A:
20.92
1pnlB-5dp2A:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f1y MCCC FAMILY PROTEIN

(Bacillus cereus) 		PF02016
(Peptidase_S66) 		4 MET A 113
PHE A 142
ILE A 319
ASN A 157
 None
 1.18A 1pnlA-5f1yA:
undetectable
1pnlB-5f1yA:
undetectable		 1pnlA-5f1yA:
21.45
1pnlB-5f1yA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gtk BETAINE-ALDEHYDE
DEHYDROGENASE

(Bacillus cereus) 		PF00171
(Aldedh) 		4 MET A 323
ALA A 288
ILE A 285
ASN A 273
 None
 1.15A 1pnlA-5gtkA:
undetectable
1pnlB-5gtkA:
undetectable		 1pnlA-5gtkA:
18.40
1pnlB-5gtkA:
20.73
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.
5irp ALANINE RACEMASE 2

(Bacillus
subtilis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 PHE A 216
ALA A 211
ILE A 239
ASN A 209
 None
TRS  A 403 ( 4.7A)
None
TRS  A 403 (-4.6A)
 1.14A 1pnlA-5irpA:
undetectable
1pnlB-5irpA:
undetectable		 1pnlA-5irpA:
19.13
1pnlB-5irpA:
23.94
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.
5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)

(Parageobacillus
thermoglucosidasius) 		PF00171
(Aldedh) 		4 MET A 180
ALA A 100
ILE A 148
ASN A 101
 None
None
None
GOL  A1008 (-3.4A)
 1.14A 1pnlA-5j78A:
1.1
1pnlB-5j78A:
undetectable		 1pnlA-5j78A:
16.60
1pnlB-5j78A:
21.94
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.
5jen ANTI-SIGMA-V FACTOR
RSIV

(Bacillus
subtilis) 		PF11738
(DUF3298)
PF13739
(DUF4163) 		4 PHE A  82
SER A 102
ALA A 100
ILE A  80
 None
 0.89A 1pnlA-5jenA:
undetectable
1pnlB-5jenA:
undetectable		 1pnlA-5jenA:
20.58
1pnlB-5jenA:
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.
5kd0 AROMATIC
PRENYLTRANSFERASE

(Aspergillus
terreus) 		PF11991
(Trp_DMAT) 		4 MET A 274
PHE A 325
PHE A 345
ILE A 327
 None
 1.11A 1pnlA-5kd0A:
undetectable
1pnlB-5kd0A:
undetectable		 1pnlA-5kd0A:
18.64
1pnlB-5kd0A:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lfd ALLANTOIN RACEMASE

(Pseudomonas
fluorescens) 		no annotation 4 MET A 183
SER A 142
ALA A 156
ILE A 160
 None
 1.10A 1pnlA-5lfdA:
undetectable
1pnlB-5lfdA:
undetectable		 1pnlA-5lfdA:
21.88
1pnlB-5lfdA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5liy ALDO-KETO REDUCTASE
FAMILY 1 MEMBER B10

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		4 SER X  23
SER X 264
ALA X  31
ILE X 270
 MLY  X 263 ( 3.2A)
NAP  X 401 (-2.5A)
None
None
 1.21A 1pnlA-5liyX:
undetectable
1pnlB-5liyX:
undetectable		 1pnlA-5liyX:
20.38
1pnlB-5liyX:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lng PUTATIVE FML
FIMBRIAL ADHESIN
FMLD

(Escherichia
coli) 		PF09160
(FimH_man-bind) 		4 MET A 130
PHE A 144
PHE A   1
ILE A  40
 None
 0.84A 1pnlA-5lngA:
undetectable
1pnlB-5lngA:
undetectable		 1pnlA-5lngA:
23.85
1pnlB-5lngA:
15.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o2c SERINE/THREONINE-PRO
TEIN KINASE WNK3

(Homo sapiens) 		PF00069
(Pkinase)
PF12202
(OSR1_C) 		4 MET A 466
SER A 483
ALA A 481
ILE A 484
 None
 1.01A 1pnlA-5o2cA:
undetectable
1pnlB-5o2cA:
undetectable		 1pnlA-5o2cA:
18.54
1pnlB-5o2cA:
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.
5osn CAPSID PROTEIN
CAPSID PROTEIN

(Enterovirus E;
Enterovirus E) 		PF00073
(Rhv)
PF00073
(Rhv) 		4 PHE B 154
SER C  96
ALA B 161
ASN B 164
 None
 1.11A 1pnlA-5osnB:
undetectable
1pnlB-5osnB:
undetectable		 1pnlA-5osnB:
21.24
1pnlB-5osnB:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		4 SER A1108
PHE A1138
ILE A1099
ASN A1106
 None
 0.96A 1pnlA-5tuyA:
undetectable
1pnlB-5tuyA:
undetectable		 1pnlA-5tuyA:
19.42
1pnlB-5tuyA:
18.75
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.
5u22 N2152

(Neocallimastix
frontalis) 		PF01229
(Glyco_hydro_39) 		4 MET A 201
ALA A 219
ILE A 218
ASN A 253
 None
 1.12A 1pnlA-5u22A:
undetectable
1pnlB-5u22A:
undetectable		 1pnlA-5u22A:
19.72
1pnlB-5u22A:
21.73
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.
5uld TRANSPORTER, NADC
FAMILY

(Vibrio cholerae) 		PF00939
(Na_sulph_symp) 		4 MET A 228
PHE A 415
ILE A 194
ASN A 151
 None
None
None
NA  A 501 ( 3.2A)
 1.15A 1pnlA-5uldA:
undetectable
1pnlB-5uldA:
undetectable		 1pnlA-5uldA:
18.24
1pnlB-5uldA:
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.
5vn5 2,2',3-TRIHYDROXY-3'
-METHOXY-5,5'-DICARB
OXYBIPHENYL
META-CLEAVAGE
COMPOUND HYDROLASE

(Sphingobium sp.
SYK-6) 		PF04909
(Amidohydro_2) 		4 MET A 107
SER A  10
ALA A  45
ILE A  56
 None
 1.15A 1pnlA-5vn5A:
undetectable
1pnlB-5vn5A:
undetectable		 1pnlA-5vn5A:
18.84
1pnlB-5vn5A:
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.
5voh NADH OXIDASE

(Lactobacillus
brevis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 SER A 280
ALA A 260
ILE A 261
ASN A 258
 None
 1.00A 1pnlA-5vohA:
undetectable
1pnlB-5vohA:
undetectable		 1pnlA-5vohA:
18.74
1pnlB-5vohA:
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.
5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		4 SER A1196
PHE A1226
ILE A1187
ASN A1194
 None
 0.85A 1pnlA-5vsdA:
undetectable
1pnlB-5vsdA:
undetectable		 1pnlA-5vsdA:
19.07
1pnlB-5vsdA:
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.
5zq4 SIDE

(Legionella
pneumophila) 		no annotation 4 PHE B 264
ALA B 556
ILE B 553
ASN B 560
 None
 1.19A 1pnlA-5zq4B:
undetectable
1pnlB-5zq4B:
undetectable		 1pnlA-5zq4B:
undetectable
1pnlB-5zq4B:
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.
6cp0 -

(-) 		no annotation 4 PHE A 445
SER A 457
ALA A 447
ASN A 154
 None
 1.05A 1pnlA-6cp0A:
undetectable
1pnlB-6cp0A:
2.1		 1pnlA-6cp0A:
undetectable
1pnlB-6cp0A:
undetectable