SIMILAR PATTERNS OF AMINO ACIDS FOR 4PWD_A_NVPA901_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.
1ej6 LAMBDA1

(Reovirus sp.)
no annotation 4 LEU B 262
TYR B 407
TYR B 403
LEU B 394
None
1.03A 4pwdA-1ej6B:
0.0
4pwdA-1ej6B:
18.76
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.
1ej6 LAMBDA1

(Reovirus sp.)
no annotation 4 PRO B 548
LEU B 895
VAL B 899
TYR B 901
None
0.98A 4pwdA-1ej6B:
0.0
4pwdA-1ej6B:
18.76
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.
1f2p AMINOPEPTIDASE

(Streptomyces
griseus)
PF04389
(Peptidase_M28)
4 VAL A 213
VAL A  79
TYR A 156
TRP A 128
None
0.92A 4pwdA-1f2pA:
undetectable
4pwdA-1f2pA:
21.01
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.
1fbn MJ FIBRILLARIN
HOMOLOGUE


(Methanocaldococcus
jannaschii)
PF01269
(Fibrillarin)
4 VAL A 101
VAL A 146
TYR A 148
TYR A  80
None
0.87A 4pwdA-1fbnA:
0.0
4pwdA-1fbnA:
19.18
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.
1ffv CUTM, FLAVOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE
CUTS, IRON-SULFUR
PROTEIN OF CARBON
MONOXIDE
DEHYDROGENASE


(Hydrogenophaga
pseudoflava)
PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01799
(Fer2_2)
PF03450
(CO_deh_flav_C)
4 PRO C   3
LEU A  65
VAL A  19
LEU C  51
None
0.98A 4pwdA-1ffvC:
2.3
4pwdA-1ffvC:
17.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g8p MAGNESIUM-CHELATASE
38 KDA SUBUNIT


(Rhodobacter
capsulatus)
PF01078
(Mg_chelatase)
4 LEU A  36
VAL A 106
VAL A 189
TYR A 149
None
0.94A 4pwdA-1g8pA:
undetectable
4pwdA-1g8pA:
18.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1har HIV-1 REVERSE
TRANSCRIPTASE
(FINGERS AND PALM
SUBDOMAINS)


(Human
immunodeficiency
virus 1)
PF00078
(RVT_1)
4 VAL A 106
VAL A 179
TYR A 181
TYR A 188
None
0.54A 4pwdA-1harA:
21.6
4pwdA-1harA:
94.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kcx DIHYDROPYRIMIDINASE
RELATED PROTEIN-1


(Mus musculus)
PF01979
(Amidohydro_1)
4 LEU A 116
VAL A 161
VAL A 108
LEU A 152
None
0.98A 4pwdA-1kcxA:
0.0
4pwdA-1kcxA:
21.00
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.
1khh GUANIDINOACETATE
METHYLTRANSFERASE


(Rattus
norvegicus)
no annotation 4 PRO A 230
LEU A  52
TYR A 167
TRP A 173
None
0.72A 4pwdA-1khhA:
0.0
4pwdA-1khhA:
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.
1khh GUANIDINOACETATE
METHYLTRANSFERASE


(Rattus
norvegicus)
no annotation 4 PRO A 230
TYR A 167
TRP A 173
LEU A 170
None
0.91A 4pwdA-1khhA:
0.0
4pwdA-1khhA:
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.
1laj CAPSID PROTEIN

(Tomato aspermy
virus)
PF00760
(Cucumo_coat)
4 PRO A 161
LEU A 150
VAL A 186
LEU A 111
None
1.02A 4pwdA-1lajA:
undetectable
4pwdA-1lajA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lc7 L-THREONINE-O-3-PHOS
PHATE DECARBOXYLASE


(Salmonella
enterica)
PF00155
(Aminotran_1_2)
4 VAL A 338
VAL A 292
TYR A 336
LEU A 315
None
0.95A 4pwdA-1lc7A:
undetectable
4pwdA-1lc7A:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lox 15-LIPOXYGENASE

(Oryctolagus
cuniculus)
PF00305
(Lipoxygenase)
PF01477
(PLAT)
4 LEU A  24
VAL A  83
TRP A  76
LEU A  39
None
1.02A 4pwdA-1loxA:
undetectable
4pwdA-1loxA:
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.
1mp1 SER/ARG-RELATED
NUCLEAR MATRIX
PROTEIN


(Homo sapiens)
PF01480
(PWI)
4 PRO A  80
LEU A  75
TRP A 106
LEU A 105
None
0.77A 4pwdA-1mp1A:
undetectable
4pwdA-1mp1A:
12.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mr1 SKI ONCOGENE

(Homo sapiens)
PF08782
(c-SKI_SMAD_bind)
4 PRO C 256
LEU C 232
TYR C 237
LEU C 304
None
0.76A 4pwdA-1mr1C:
undetectable
4pwdA-1mr1C:
9.14
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.
1o1y CONSERVED
HYPOTHETICAL PROTEIN
TM1158


(Thermotoga
maritima)
PF00117
(GATase)
4 LEU A  73
VAL A  49
TYR A  46
LEU A  31
None
1.00A 4pwdA-1o1yA:
undetectable
4pwdA-1o1yA:
19.03
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.
1opo COAT PROTEIN

(Carnation
mottle virus)
PF00729
(Viral_coat)
PF08462
(Carmo_coat_C)
4 PRO A 297
LEU A 330
VAL A 345
LEU A 321
None
1.01A 4pwdA-1opoA:
undetectable
4pwdA-1opoA:
21.75
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.
1ovm INDOLE-3-PYRUVATE
DECARBOXYLASE


(Enterobacter
cloacae)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
4 PRO A 490
LEU A 445
VAL A 431
VAL A 459
None
0.94A 4pwdA-1ovmA:
undetectable
4pwdA-1ovmA:
22.49
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.
1oyp RIBONUCLEASE PH

(Bacillus
subtilis)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
4 LEU A 215
VAL A 164
VAL A 186
LEU A 219
None
0.98A 4pwdA-1oypA:
undetectable
4pwdA-1oypA:
18.12
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.
1ps9 2,4-DIENOYL-COA
REDUCTASE


(Escherichia
coli)
PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2)
4 PRO A 116
LEU A 167
VAL A 197
LEU A 139
None
1.02A 4pwdA-1ps9A:
undetectable
4pwdA-1ps9A:
21.62
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.
1qhq PROTEIN (AURACYANIN)

(Chloroflexus
aurantiacus)
PF00127
(Copper-bind)
4 PRO A 113
LEU A  94
VAL A  68
TYR A 118
None
None
SO4  A 144 (-3.7A)
None
0.92A 4pwdA-1qhqA:
undetectable
4pwdA-1qhqA:
12.41
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.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME


(Arabidopsis
thaliana)
PF01946
(Thi4)
5 PRO A  75
LEU A  52
VAL A 135
VAL A  44
LEU A 130
None
1.47A 4pwdA-1rp0A:
undetectable
4pwdA-1rp0A:
19.14
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.
1s5p NAD-DEPENDENT
DEACETYLASE


(Escherichia
coli)
PF02146
(SIR2)
4 PRO A  41
LEU A 269
VAL A 237
VAL A  45
None
1.03A 4pwdA-1s5pA:
undetectable
4pwdA-1s5pA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1udq RIBONUCLEASE PH

(Aquifex
aeolicus)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
4 LEU A 214
VAL A 164
VAL A 185
LEU A 218
None
0.96A 4pwdA-1udqA:
undetectable
4pwdA-1udqA:
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.
1vh1 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE


(Escherichia
coli)
PF02348
(CTP_transf_3)
4 PRO A 230
LEU A 182
VAL A 223
VAL A 112
None
1.03A 4pwdA-1vh1A:
undetectable
4pwdA-1vh1A:
17.69
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.
1wde PROBABLE DIPHTHINE
SYNTHASE


(Aeropyrum
pernix)
PF00590
(TP_methylase)
4 PRO A 250
LEU A 132
VAL A 216
TYR A 228
None
0.99A 4pwdA-1wdeA:
undetectable
4pwdA-1wdeA:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1weh CONSERVED
HYPOTHETICAL PROTEIN
TT1887


(Thermus
thermophilus)
PF03641
(Lysine_decarbox)
4 LEU A   4
VAL A  28
VAL A  52
TYR A  25
None
0.99A 4pwdA-1wehA:
undetectable
4pwdA-1wehA:
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.
1wi5 RRP5 PROTEIN HOMOLOG

(Homo sapiens)
PF00575
(S1)
4 LEU A 203
VAL A 266
VAL A 217
LEU A 197
None
0.91A 4pwdA-1wi5A:
undetectable
4pwdA-1wi5A:
10.70
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.
1wio T-CELL SURFACE
GLYCOPROTEIN CD4


(Homo sapiens)
PF00047
(ig)
PF05790
(C2-set)
PF09191
(CD4-extracel)
4 PRO A 245
LEU A 259
VAL A 287
LEU A 257
None
1.02A 4pwdA-1wioA:
undetectable
4pwdA-1wioA:
22.39
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.
1wmi HYPOTHETICAL PROTEIN
PHS013


(Pyrococcus
horikoshii)
PF05016
(ParE_toxin)
4 LEU A  33
VAL A  45
VAL A  66
TYR A  57
None
0.90A 4pwdA-1wmiA:
undetectable
4pwdA-1wmiA:
11.25
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.
1wza ALPHA-AMYLASE A

(Halothermothrix
orenii)
PF00128
(Alpha-amylase)
4 PRO A 356
VAL A 315
TYR A 308
TYR A 311
None
0.83A 4pwdA-1wzaA:
undetectable
4pwdA-1wzaA:
22.77
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.
1xcj GUANIDINOACETATE
N-METHYLTRANSFERASE


(Rattus
norvegicus)
no annotation 4 PRO A 230
LEU A  52
TYR A 167
TRP A 173
None
0.73A 4pwdA-1xcjA:
undetectable
4pwdA-1xcjA:
17.64
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.
1xcj GUANIDINOACETATE
N-METHYLTRANSFERASE


(Rattus
norvegicus)
no annotation 4 PRO A 230
TYR A 167
TRP A 173
LEU A 170
None
None
None
NMG  A 237 (-3.9A)
0.93A 4pwdA-1xcjA:
undetectable
4pwdA-1xcjA:
17.64
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.
1xez HEMOLYSIN

(Vibrio cholerae)
PF07968
(Leukocidin)
PF12563
(Hemolysin_N)
PF16458
(Beta-prism_lec)
4 LEU A  96
VAL A 142
VAL A  80
TYR A  78
None
1.01A 4pwdA-1xezA:
undetectable
4pwdA-1xezA:
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.
1xip NUCLEOPORIN NUP159

(Saccharomyces
cerevisiae)
PF16755
(NUP214)
4 LEU A 174
VAL A 164
VAL A 218
LEU A 160
None
1.00A 4pwdA-1xipA:
undetectable
4pwdA-1xipA:
19.22
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.
1xvt CROTONOBETAINYL-COA:
CARNITINE
COA-TRANSFERASE


(Escherichia
coli)
PF02515
(CoA_transf_3)
4 LEU A 181
VAL A  17
TRP A  36
LEU A  12
None
0.86A 4pwdA-1xvtA:
undetectable
4pwdA-1xvtA:
22.57
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.
1yhu HEMOGLOBIN A1 CHAIN

(Riftia
pachyptila)
PF00042
(Globin)
5 LEU A  72
VAL A 117
VAL A  12
TYR A 134
LEU A  33
HEM  A 160 (-4.5A)
None
None
None
None
1.22A 4pwdA-1yhuA:
undetectable
4pwdA-1yhuA:
14.03
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.
1zcj PEROXISOMAL
BIFUNCTIONAL ENZYME


(Rattus
norvegicus)
PF00725
(3HCDH)
PF02737
(3HCDH_N)
4 PRO A 501
LEU A 595
TYR A 579
LEU A 564
None
0.90A 4pwdA-1zcjA:
undetectable
4pwdA-1zcjA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zl6 BOTULINUM NEUROTOXIN
TYPE E


(Clostridium
botulinum)
PF01742
(Peptidase_M27)
4 LEU A 274
VAL A 318
TYR A 306
LEU A 330
None
0.83A 4pwdA-1zl6A:
undetectable
4pwdA-1zl6A:
21.85
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.
2a2j PYRIDOXAMINE
5'-PHOSPHATE OXIDASE


(Mycobacterium
tuberculosis)
PF01243
(Putative_PNPOx)
PF10590
(PNP_phzG_C)
4 LEU A  65
VAL A 127
VAL A  88
TYR A 191
None
1.03A 4pwdA-2a2jA:
undetectable
4pwdA-2a2jA:
17.06
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.
2ae0 MEMBRANE-BOUND LYTIC
MUREIN
TRANSGLYCOSYLASE A


(Escherichia
coli)
PF03562
(MltA)
PF06725
(3D)
4 PRO X  27
LEU X 272
VAL X  64
LEU X 290
None
0.80A 4pwdA-2ae0X:
undetectable
4pwdA-2ae0X:
20.70
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.
2ag8 PYRROLINE-5-CARBOXYL
ATE REDUCTASE


(Neisseria
meningitidis)
PF03807
(F420_oxidored)
PF14748
(P5CR_dimer)
4 LEU A  85
VAL A   3
VAL A  15
LEU A  83
None
1.01A 4pwdA-2ag8A:
undetectable
4pwdA-2ag8A:
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.
2anc GUANYLATE KINASE

(Escherichia
coli)
PF00625
(Guanylate_kin)
4 LEU A  24
VAL A   9
VAL A  35
TYR A   7
None
0.96A 4pwdA-2ancA:
undetectable
4pwdA-2ancA:
17.79
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.
2bvg 6-HYDROXY-D-NICOTINE
OXIDASE


(Paenarthrobacter
nicotinovorans)
PF01565
(FAD_binding_4)
PF08031
(BBE)
4 PRO A 149
LEU A 264
VAL A 296
VAL A 261
None
1.01A 4pwdA-2bvgA:
3.0
4pwdA-2bvgA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c4t 5'-FLUORO-5'-DEOXYAD
ENOSINE SYNTHASE


(Streptomyces
cattleya)
PF01887
(SAM_adeno_trans)
4 LEU A 126
VAL A 162
VAL A  87
TYR A 119
None
0.89A 4pwdA-2c4tA:
undetectable
4pwdA-2c4tA:
19.93
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.
2cxy BAF250B SUBUNIT

(Homo sapiens)
PF01388
(ARID)
4 LEU A  50
VAL A  78
TRP A  69
LEU A  72
None
0.89A 4pwdA-2cxyA:
undetectable
4pwdA-2cxyA:
11.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d2n GIANT HEMOGLOBIN,
A1(B) GLOBIN CHAIN


(Oligobrachia
mashikoi)
PF00042
(Globin)
4 LEU A  70
VAL A 115
TYR A 131
LEU A  31
HEM  A 200 ( 4.6A)
None
None
None
0.89A 4pwdA-2d2nA:
undetectable
4pwdA-2d2nA:
14.15
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.
2dy3 ALANINE RACEMASE

(Corynebacterium
glutamicum)
PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N)
4 PRO A 224
LEU A 203
VAL A 213
LEU A  20
None
0.99A 4pwdA-2dy3A:
undetectable
4pwdA-2dy3A:
21.93
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.
2erc RRNA METHYL
TRANSFERASE


(Bacillus
subtilis)
PF00398
(RrnaAD)
4 LEU A 216
TYR A 203
TRP A 198
LEU A 235
None
0.96A 4pwdA-2ercA:
undetectable
4pwdA-2ercA:
17.06
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.
2f9z CHEMOTAXIS PROTEIN
CHEC


(Thermotoga
maritima)
PF04509
(CheC)
4 LEU A 125
VAL A 168
VAL A  75
LEU A  11
None
0.97A 4pwdA-2f9zA:
undetectable
4pwdA-2f9zA:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g2r GREEN-FLUORESCENT
ANTIBODY
(11G10)-HEAVY CHAIN


(Mus musculus)
no annotation 4 VAL H  50
VAL H  93
TYR H  95
TYR H  33
None
0.99A 4pwdA-2g2rH:
undetectable
4pwdA-2g2rH:
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.
2g9i F420-0:GAMMA-GLUTAMY
L LIGASE


(Archaeoglobus
fulgidus)
PF01996
(F420_ligase)
4 PRO A  72
LEU A  53
VAL A 113
LEU A 118
None
1.02A 4pwdA-2g9iA:
undetectable
4pwdA-2g9iA:
19.37
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.
2gmh ELECTRON TRANSFER
FLAVOPROTEIN-UBIQUIN
ONE OXIDOREDUCTASE


(Sus scrofa)
PF05187
(ETF_QO)
PF13450
(NAD_binding_8)
4 LEU A 204
VAL A  41
TYR A 165
LEU A 202
None
FAD  A 611 (-4.9A)
None
None
1.03A 4pwdA-2gmhA:
undetectable
4pwdA-2gmhA:
22.15
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.
2gqc RHOMBOID
INTRAMEMBRANE
PROTEASE


(Pseudomonas
aeruginosa)
PF16733
(NRho)
4 PRO A  59
LEU A  25
VAL A  42
LEU A  21
None
0.95A 4pwdA-2gqcA:
undetectable
4pwdA-2gqcA:
8.45
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.
2h0i THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBG


(Escherichia
coli)
PF13098
(Thioredoxin_2)
4 PRO A 107
VAL A 177
VAL A 173
LEU A 185
None
0.95A 4pwdA-2h0iA:
undetectable
4pwdA-2h0iA:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h1i CARBOXYLESTERASE

(Bacillus cereus)
PF02230
(Abhydrolase_2)
4 PRO A 131
LEU A 164
VAL A 175
LEU A 125
None
0.95A 4pwdA-2h1iA:
undetectable
4pwdA-2h1iA:
18.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H


(Human
immunodeficiency
virus 1)
PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb)
8 PRO A  95
LEU A 100
VAL A 106
VAL A 179
TYR A 181
TYR A 188
TRP A 229
LEU A 234
PC0  A 999 ( 4.9A)
PC0  A 999 ( 3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.4A)
PC0  A 999 (-3.9A)
PC0  A 999 (-4.1A)
PC0  A 999 ( 4.2A)
PC0  A 999 (-4.2A)
0.80A 4pwdA-2hnzA:
36.2
4pwdA-2hnzA:
98.31
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.
2hsi PUTATIVE PEPTIDASE
M23


(Pseudomonas
aeruginosa)
PF01551
(Peptidase_M23)
4 PRO A 149
LEU A 152
VAL A  39
VAL A 264
None
1.03A 4pwdA-2hsiA:
undetectable
4pwdA-2hsiA:
20.12
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.
2i0z NAD(FAD)-UTILIZING
DEHYDROGENASES


(Bacillus cereus)
PF03486
(HI0933_like)
4 LEU A  15
VAL A 125
VAL A   7
LEU A 117
None
0.98A 4pwdA-2i0zA:
undetectable
4pwdA-2i0zA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iuy GLYCOSYLTRANSFERASE

(Streptomyces
viridochromogenes)
PF00534
(Glycos_transf_1)
4 LEU A  53
VAL A  97
TYR A 338
LEU A  18
None
0.96A 4pwdA-2iuyA:
undetectable
4pwdA-2iuyA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j2m CATALASE

(Exiguobacterium
oxidotolerans)
PF00199
(Catalase)
PF06628
(Catalase-rel)
4 LEU A 260
VAL A  90
TRP A 203
LEU A 215
None
0.96A 4pwdA-2j2mA:
undetectable
4pwdA-2j2mA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jh3 RIBOSOMAL PROTEIN
S2-RELATED PROTEIN


(Deinococcus
radiodurans)
PF01903
(CbiX)
4 PRO A  69
VAL A 108
TYR A 110
LEU A  53
None
0.98A 4pwdA-2jh3A:
undetectable
4pwdA-2jh3A:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jh9 VP4 CORE PROTEIN

(Bluetongue
virus)
PF05059
(Orbi_VP4)
4 LEU A  37
VAL A   7
TYR A   9
LEU A  62
None
1.03A 4pwdA-2jh9A:
undetectable
4pwdA-2jh9A:
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.
2kkn UNCHARACTERIZED
PROTEIN


(Thermotoga
maritima)
PF12850
(Metallophos_2)
4 PRO A 132
LEU A 112
VAL A  58
LEU A 143
None
0.89A 4pwdA-2kknA:
undetectable
4pwdA-2kknA:
15.18
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.
2ku7 MLL1 PHD3-CYP33 RRM
CHIMERIC PROTEIN


(Homo sapiens)
PF00076
(RRM_1)
PF00628
(PHD)
5 PRO A  96
LEU A  27
VAL A  65
TYR A  67
LEU A  30
None
1.22A 4pwdA-2ku7A:
undetectable
4pwdA-2ku7A:
14.82
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.
2kyz HEAVY METAL BINDING
PROTEIN


(Thermotoga
maritima)
PF00403
(HMA)
4 VAL A  61
VAL A  40
TYR A   3
TYR A  64
None
0.78A 4pwdA-2kyzA:
6.0
4pwdA-2kyzA:
8.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o0a S.CEREVISIAE
CHROMOSOME XVI
READING FRAME ORF
YPL253C


(Saccharomyces
cerevisiae)
PF16796
(Microtub_bd)
4 LEU A 390
VAL A 413
TYR A 408
LEU A 619
None
0.99A 4pwdA-2o0aA:
undetectable
4pwdA-2o0aA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o5p FERRIPYOVERDINE
RECEPTOR


(Pseudomonas
aeruginosa)
PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug)
4 LEU A  98
VAL A  70
VAL A 106
TYR A  72
None
1.01A 4pwdA-2o5pA:
undetectable
4pwdA-2o5pA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ozu HISTONE
ACETYLTRANSFERASE
MYST3


(Homo sapiens)
PF01853
(MOZ_SAS)
4 PRO A 528
LEU A 595
VAL A 610
TYR A 608
None
0.98A 4pwdA-2ozuA:
undetectable
4pwdA-2ozuA:
19.17
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.
2p1r LIPID KINASE YEGS

(Salmonella
enterica)
PF00781
(DAGK_cat)
4 LEU A   8
VAL A  73
TYR A  49
LEU A  56
None
0.99A 4pwdA-2p1rA:
1.6
4pwdA-2p1rA:
19.53
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.
2pw6 UNCHARACTERIZED
PROTEIN YGID


(Escherichia
coli)
PF02900
(LigB)
4 PRO A 254
LEU A  18
VAL A 126
LEU A  45
None
0.88A 4pwdA-2pw6A:
undetectable
4pwdA-2pw6A:
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.
2q0f RNA URIDYLYL
TRANSFERASE


(Trypanosoma
brucei)
PF03828
(PAP_assoc)
4 PRO A 298
LEU A 193
VAL A  57
TYR A 154
None
1.03A 4pwdA-2q0fA:
3.4
4pwdA-2q0fA:
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.
2q6u NIKD PROTEIN

(Streptomyces
tendae)
PF01266
(DAO)
4 LEU A 335
VAL A 201
VAL A  15
LEU A 370
None
None
FAD  A 401 ( 3.8A)
None
1.03A 4pwdA-2q6uA:
2.1
4pwdA-2q6uA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qjc DIADENOSINE
TETRAPHOSPHATASE,
PUTATIVE


(Trypanosoma
brucei)
PF00149
(Metallophos)
4 LEU A  34
VAL A  41
VAL A 244
LEU A  50
None
1.01A 4pwdA-2qjcA:
undetectable
4pwdA-2qjcA:
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.
2qza SECRETED EFFECTOR
PROTEIN


(Salmonella
enterica)
PF13599
(Pentapeptide_4)
PF13979
(SopA_C)
PF13981
(SopA)
4 PRO A 283
VAL A 271
TYR A 275
LEU A 290
None
0.95A 4pwdA-2qzaA:
2.1
4pwdA-2qzaA:
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.
2r44 UNCHARACTERIZED
PROTEIN


(Cytophaga
hutchinsonii)
PF07726
(AAA_3)
5 PRO A 106
LEU A  87
VAL A 117
VAL A 152
LEU A  82
None
1.41A 4pwdA-2r44A:
undetectable
4pwdA-2r44A:
23.59
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.
2r66 GLYCOSYL
TRANSFERASE, GROUP 1


(Halothermothrix
orenii)
PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth)
4 PRO A 306
LEU A 300
VAL A 297
LEU A 271
None
1.00A 4pwdA-2r66A:
1.8
4pwdA-2r66A:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r9l PUTATIVE DNA
LIGASE-LIKE PROTEIN


(Mycobacterium
tuberculosis)
no annotation 4 PRO A 169
LEU A 177
VAL A 152
LEU A 265
None
0.92A 4pwdA-2r9lA:
4.5
4pwdA-2r9lA:
19.93
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.
2rau PUTATIVE ESTERASE

(Sulfolobus
solfataricus)
PF12146
(Hydrolase_4)
4 PRO A 179
LEU A 314
TYR A 289
LEU A 172
None
0.89A 4pwdA-2rauA:
undetectable
4pwdA-2rauA:
20.53
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.
2rkj TYROSYL-TRNA
SYNTHETASE


(Neurospora
crassa)
PF00579
(tRNA-synt_1b)
4 LEU A 117
VAL A 400
VAL A 177
LEU A 109
None
0.90A 4pwdA-2rkjA:
undetectable
4pwdA-2rkjA:
22.76
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.
2vak SIGMA A

(Avian
orthoreovirus)
PF03084
(Sigma_1_2)
5 LEU A 421
VAL A 236
TYR A 232
TRP A 293
LEU A 338
None
1.37A 4pwdA-2vakA:
undetectable
4pwdA-2vakA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vmb GENERAL SECRETION
PATHWAY PROTEIN F


(Vibrio cholerae)
PF00482
(T2SSF)
4 LEU A 118
VAL A  79
VAL A 149
LEU A  89
None
0.93A 4pwdA-2vmbA:
undetectable
4pwdA-2vmbA:
11.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wk8 CAI-1 AUTOINDUCER
SYNTHASE


(Vibrio cholerae)
PF00155
(Aminotran_1_2)
4 LEU A 221
VAL A 201
VAL A 189
LEU A 217
None
1.01A 4pwdA-2wk8A:
2.1
4pwdA-2wk8A:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x24 ACETYL-COA
CARBOXYLASE


(Bos taurus)
PF01039
(Carboxyl_trans)
4 PRO A 519
LEU A 373
VAL A 408
VAL A 421
None
0.91A 4pwdA-2x24A:
2.1
4pwdA-2x24A:
21.39
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.
2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME


(Rattus
norvegicus)
PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N)
4 PRO A 501
LEU A 595
TYR A 579
LEU A 564
None
1.00A 4pwdA-2x58A:
undetectable
4pwdA-2x58A:
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.
2xal INOSITOL-PENTAKISPHO
SPHATE 2-KINASE


(Arabidopsis
thaliana)
PF06090
(Ins_P5_2-kin)
4 PRO A 169
LEU A 304
VAL A 102
VAL A 403
None
0.90A 4pwdA-2xalA:
undetectable
4pwdA-2xalA:
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.
2xhy 6-PHOSPHO-BETA-GLUCO
SIDASE BGLA


(Escherichia
coli)
PF00232
(Glyco_hydro_1)
4 PRO A 246
VAL A 417
TYR A 360
LEU A 365
None
1.01A 4pwdA-2xhyA:
1.9
4pwdA-2xhyA:
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.
2xr7 MALONYLTRANSFERASE

(Nicotiana
tabacum)
PF02458
(Transferase)
4 LEU A 256
VAL A 345
TYR A 276
LEU A 453
None
0.94A 4pwdA-2xr7A:
2.9
4pwdA-2xr7A:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xvs TETRATRICOPEPTIDE
REPEAT PROTEIN 5


(Homo sapiens)
PF16669
(TTC5_OB)
4 LEU A 391
VAL A 367
TYR A 365
LEU A 393
None
0.93A 4pwdA-2xvsA:
undetectable
4pwdA-2xvsA:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y6v PEROXISOMAL MEMBRANE
PROTEIN LPX1


(Saccharomyces
cerevisiae)
PF12697
(Abhydrolase_6)
4 PRO A 170
LEU A 152
VAL A 141
LEU A 310
None
0.97A 4pwdA-2y6vA:
undetectable
4pwdA-2y6vA:
20.51
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.
2ypd PROBABLE JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION PROT
EIN 2C


(Homo sapiens)
PF02373
(JmjC)
4 LEU A2281
VAL A2197
VAL A2347
LEU A2285
None
0.89A 4pwdA-2ypdA:
undetectable
4pwdA-2ypdA:
23.17
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.
2zo6 CYAN-EMITTING
GFP-LIKE PROTEIN,
KUSABIRA-CYAN (KCY)


(Verrillofungia
concinna)
PF01353
(GFP)
4 LEU A  57
VAL A 199
VAL A 206
LEU A  50
None
None
GYS  A  63 ( 4.9A)
None
0.81A 4pwdA-2zo6A:
undetectable
4pwdA-2zo6A:
17.67
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.
2zo7 CYAN/GREEN-EMITTING
GFP-LIKE PROTEIN,
KUSABIRA-CYAN MUTANT
(KCY-R1)


(Verrillofungia
concinna)
PF01353
(GFP)
4 LEU A  58
VAL A 200
VAL A 207
LEU A  51
None
0.81A 4pwdA-2zo7A:
undetectable
4pwdA-2zo7A:
17.12
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.
2zyj ALPHA-AMINODIPATE
AMINOTRANSFERASE


(Thermus
thermophilus)
PF00155
(Aminotran_1_2)
4 PRO A 321
LEU A 305
VAL A 383
TYR A 371
None
0.98A 4pwdA-2zyjA:
undetectable
4pwdA-2zyjA:
21.30
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.
3av6 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1


(Mus musculus)
PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD)
4 LEU A 819
VAL A 837
TYR A 839
LEU A 898
None
1.02A 4pwdA-3av6A:
undetectable
4pwdA-3av6A:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b4t RIBONUCLEASE PH

(Mycobacterium
tuberculosis)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
4 LEU A 216
VAL A 166
VAL A 187
LEU A 220
None
0.97A 4pwdA-3b4tA:
undetectable
4pwdA-3b4tA:
18.07
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.
3b89 16S RRNA METHYLASE

(Escherichia
coli)
PF07091
(FmrO)
4 PRO A 163
LEU A 190
VAL A 201
LEU A 175
None
None
None
5GP  A 500 ( 4.7A)
0.87A 4pwdA-3b89A:
2.4
4pwdA-3b89A:
19.64
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.
3bh1 UPF0371 PROTEIN
DIP2346


(Corynebacterium
diphtheriae)
PF08903
(DUF1846)
4 LEU A  27
VAL A 193
TYR A 205
LEU A  31
None
1.01A 4pwdA-3bh1A:
undetectable
4pwdA-3bh1A:
20.86
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.
3byw PUTATIVE
ARABINOFURANOSYLTRAN
SFERASE


(Corynebacterium
diphtheriae)
PF04602
(Arabinose_trans)
4 LEU A 121
VAL A 102
VAL A  74
LEU A 119
None
0.99A 4pwdA-3bywA:
undetectable
4pwdA-3bywA:
15.61
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.
3c2g SYS-1 PROTEIN

(Caenorhabditis
elegans)
no annotation 4 PRO A 731
VAL A 721
TRP A 766
LEU A 756
None
1.00A 4pwdA-3c2gA:
undetectable
4pwdA-3c2gA:
22.32