SIMILAR PATTERNS OF AMINO ACIDS FOR 4O5F_B_PAUB302_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.
1ebl BETA-KETOACYL-ACP
SYNTHASE III

(Escherichia
coli) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 LEU A  22
THR A  28
GLY A 152
THR A  37
ILE A  33
 None
None
COA  A1350 (-3.7A)
COA  A1350 (-4.6A)
None
 1.00A 4o5fA-1eblA:
undetectable
4o5fB-1eblA:
undetectable		 4o5fA-1eblA:
25.45
4o5fB-1eblA:
25.45
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.
1eth TRIACYLGLYCEROL
ACYL-HYDROLASE

(Sus scrofa) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 LEU A 445
VAL A 437
LEU A 347
GLY A 415
ILE A 419
 None
 1.26A 4o5fA-1ethA:
undetectable
4o5fB-1ethA:
undetectable		 4o5fA-1ethA:
19.21
4o5fB-1ethA:
19.21
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.
1i7q TRPG

(Serratia
marcescens) 		PF00117
(GATase) 		5 GLN B  20
LEU B  17
LEU B 184
GLY B 181
ILE B  84
 None
 1.18A 4o5fA-1i7qB:
undetectable
4o5fB-1i7qB:
undetectable		 4o5fA-1i7qB:
22.15
4o5fB-1i7qB:
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.
1kb0 QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 THR A 156
ASN A 121
TYR A 191
GLY A 180
THR A 165
 None
 1.22A 4o5fA-1kb0A:
undetectable
4o5fB-1kb0A:
undetectable		 4o5fA-1kb0A:
17.56
4o5fB-1kb0A:
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.
1pgu ACTIN INTERACTING
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ASN A 322
LEU A 297
GLY A 298
ASP A 318
THR A  16
 None
 1.21A 4o5fA-1pguA:
undetectable
4o5fB-1pguA:
undetectable		 4o5fA-1pguA:
17.93
4o5fB-1pguA:
17.93
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.
1px8 BETA-XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum) 		PF01229
(Glyco_hydro_39) 		5 THR A  24
VAL A  61
LEU A  29
GLY A  28
ASP A  60
 None
 1.15A 4o5fA-1px8A:
0.8
4o5fB-1px8A:
undetectable		 4o5fA-1px8A:
18.42
4o5fB-1px8A:
18.42
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.
1rh1 COLICIN B

(Escherichia
coli) 		PF01024
(Colicin)
PF03515
(Cloacin) 		5 VAL A 481
TYR A 344
LEU A 340
GLY A 483
ILE A 489
 None
 1.29A 4o5fA-1rh1A:
undetectable
4o5fB-1rh1A:
undetectable		 4o5fA-1rh1A:
21.75
4o5fB-1rh1A:
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.
1sml PROTEIN
(PENICILLINASE)

(Stenotrophomonas
maltophilia) 		PF00753
(Lactamase_B) 		5 LEU A 216
THR A 168
GLY A 142
ASP A 141
THR A 165
 None
 1.10A 4o5fA-1smlA:
undetectable
4o5fB-1smlA:
0.1		 4o5fA-1smlA:
24.01
4o5fB-1smlA:
24.01
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.
1ug3 EUKARYOTIC PROTEIN
SYNTHESIS INITIATION
FACTOR 4G

(Homo sapiens) 		PF02020
(W2)
PF02847
(MA3) 		5 LEU A1255
THR A1287
ASN A1258
GLY A1299
ILE A1251
 None
 1.21A 4o5fA-1ug3A:
undetectable
4o5fB-1ug3A:
undetectable		 4o5fA-1ug3A:
22.99
4o5fB-1ug3A:
22.99
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.
1vhn PUTATIVE FLAVIN
OXIDOREDUCTASE

(Thermotoga
maritima) 		PF01207
(Dus) 		5 LEU A 177
THR A 186
ASN A 140
LEU A 149
ILE A 159
 None
 1.11A 4o5fA-1vhnA:
undetectable
4o5fB-1vhnA:
undetectable		 4o5fA-1vhnA:
23.14
4o5fB-1vhnA:
23.14
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.
1vhn PUTATIVE FLAVIN
OXIDOREDUCTASE

(Thermotoga
maritima) 		PF01207
(Dus) 		5 LEU A 177
THR A 186
ASN A 140
THR A 133
ILE A 159
 None
 0.98A 4o5fA-1vhnA:
undetectable
4o5fB-1vhnA:
undetectable		 4o5fA-1vhnA:
23.14
4o5fB-1vhnA:
23.14
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.
1vlc 3-ISOPROPYLMALATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF00180
(Iso_dh) 		5 GLN A 291
LEU A  69
VAL A  16
GLY A  12
ILE A  41
 None
 1.27A 4o5fA-1vlcA:
undetectable
4o5fB-1vlcA:
undetectable		 4o5fA-1vlcA:
24.48
4o5fB-1vlcA:
24.48
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.
1we7 SF3A1 PROTEIN

(Mus musculus) 		PF00240
(ubiquitin) 		5 GLN A  31
LEU A 104
GLY A  47
THR A  69
ILE A  65
 None
 1.20A 4o5fA-1we7A:
undetectable
4o5fB-1we7A:
undetectable		 4o5fA-1we7A:
16.29
4o5fB-1we7A:
16.29
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.
1ygu LEUKOCYTE COMMON
ANTIGEN

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 ASN A 994
VAL A 952
GLY A1185
ASP A1146
THR A1151
 None
 1.25A 4o5fA-1yguA:
undetectable
4o5fB-1yguA:
undetectable		 4o5fA-1yguA:
16.26
4o5fB-1yguA:
16.26
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.
1ytl ACETYL-COA
DECARBOXYLASE/SYNTHA
SE COMPLEX EPSILON
SUBUNIT 2

(Archaeoglobus
fulgidus) 		PF02552
(CO_dh) 		5 LEU A  88
THR A  67
GLY A 116
ASP A 142
ILE A  41
 None
 1.23A 4o5fA-1ytlA:
2.1
4o5fB-1ytlA:
undetectable		 4o5fA-1ytlA:
21.02
4o5fB-1ytlA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z5v TUBULIN GAMMA-1
CHAIN

(Homo sapiens) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 LEU A   8
VAL A 166
LEU A 132
GLY A 134
ILE A 122
 None
 1.21A 4o5fA-1z5vA:
undetectable
4o5fB-1z5vA:
undetectable		 4o5fA-1z5vA:
21.67
4o5fB-1z5vA:
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.
2b4e CORONIN-1A

(Mus musculus) 		PF00400
(WD40)
PF08953
(DUF1899)
PF16300
(WD40_4) 		5 GLN A 262
LEU A 249
LEU A 307
THR A 298
ILE A 297
 None
 1.29A 4o5fA-2b4eA:
undetectable
4o5fB-2b4eA:
undetectable		 4o5fA-2b4eA:
22.38
4o5fB-2b4eA:
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.
2bs9 BETA-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF01229
(Glyco_hydro_39) 		5 THR A  24
VAL A  61
LEU A  29
GLY A  28
ASP A  60
 None
 1.16A 4o5fA-2bs9A:
1.3
4o5fB-2bs9A:
undetectable		 4o5fA-2bs9A:
19.77
4o5fB-2bs9A:
19.77
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.
2c6s ADENOVIRUS 2,12
PENTON BASE CHIMERA

(Human
mastadenovirus
C) 		PF01686
(Adeno_Penton_B) 		5 LEU A 378
VAL A 498
LEU A 495
GLY A 496
THR A  93
 None
 1.21A 4o5fA-2c6sA:
undetectable
4o5fB-2c6sA:
undetectable		 4o5fA-2c6sA:
19.27
4o5fB-2c6sA:
19.27
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.
2d89 EHBP1 PROTEIN

(Homo sapiens) 		PF00307
(CH) 		5 THR A  22
ASN A  39
GLY A  27
THR A  31
ILE A  30
 None
 1.13A 4o5fA-2d89A:
undetectable
4o5fB-2d89A:
undetectable		 4o5fA-2d89A:
19.71
4o5fB-2d89A:
19.71
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.
2ep5 350AA LONG
HYPOTHETICAL
ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LEU A  30
VAL A  80
LEU A   9
THR A 337
ILE A 338
 None
 1.20A 4o5fA-2ep5A:
undetectable
4o5fB-2ep5A:
undetectable		 4o5fA-2ep5A:
22.80
4o5fB-2ep5A:
22.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f9t PANTOTHENATE KINASE

(Pseudomonas
aeruginosa) 		PF03309
(Pan_kinase) 		9 ASN A   9
VAL A  55
TYR A  92
LEU A  98
GLY A  99
ASP A 101
ARG A 102
THR A 127
ILE A 142
 None
 0.64A 4o5fA-2f9tA:
25.0
4o5fB-2f9tA:
25.2		 4o5fA-2f9tA:
32.09
4o5fB-2f9tA:
32.09
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.
2grv LPQW

(Mycolicibacterium
smegmatis) 		PF00496
(SBP_bac_5) 		5 LEU A 264
VAL A 254
GLY A 234
THR A 249
ILE A 244
 None
 1.26A 4o5fA-2grvA:
undetectable
4o5fB-2grvA:
undetectable		 4o5fA-2grvA:
22.24
4o5fB-2grvA:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j6i FORMATE
DEHYDROGENASE

([Candida]
boidinii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A  28
THR A 327
GLY A  92
THR A  66
ILE A  65
 None
 1.26A 4o5fA-2j6iA:
undetectable
4o5fB-2j6iA:
undetectable		 4o5fA-2j6iA:
22.07
4o5fB-2j6iA:
22.07
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.
2nrh TRANSCRIPTIONAL
ACTIVATOR, PUTATIVE,
BAF FAMILY

(Campylobacter
jejuni) 		PF03309
(Pan_kinase) 		9 ASN A   8
VAL A  41
TYR A  68
LEU A  71
GLY A  72
ASP A  74
ARG A  75
THR A  95
ILE A 109
 None
 0.62A 4o5fA-2nrhA:
17.1
4o5fB-2nrhA:
17.3		 4o5fA-2nrhA:
20.74
4o5fB-2nrhA:
20.74
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.
2nsq E3 UBIQUITIN-PROTEIN
LIGASE NEDD4-LIKE
PROTEIN

(Homo sapiens) 		PF00168
(C2) 		5 THR A  69
ASN A  75
LEU A  32
GLY A  29
ILE A  66
 None
 1.15A 4o5fA-2nsqA:
undetectable
4o5fB-2nsqA:
undetectable		 4o5fA-2nsqA:
18.73
4o5fB-2nsqA:
18.73
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.
2o1s 1-DEOXY-D-XYLULOSE-5
-PHOSPHATE SYNTHASE

(Escherichia
coli) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF13292
(DXP_synthase_N) 		5 GLN A  81
LEU A  59
THR A 282
GLY A 151
ILE A 280
 None
None
None
TDP  A3001 (-3.2A)
None
 0.97A 4o5fA-2o1sA:
undetectable
4o5fB-2o1sA:
undetectable		 4o5fA-2o1sA:
19.74
4o5fB-2o1sA:
19.74
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.
2obi PHOSPHOLIPID
HYDROPEROXIDE
GLUTATHIONE
PEROXIDASE (GPX4)

(Homo sapiens) 		PF00255
(GSHPx) 		5 VAL A 149
GLY A 126
ARG A 152
THR A 139
ILE A 134
 None
 1.26A 4o5fA-2obiA:
undetectable
4o5fB-2obiA:
undetectable		 4o5fA-2obiA:
20.70
4o5fB-2obiA:
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.
2pgc UNCHARACTERIZED
PROTEIN

(uncultured
marine organism) 		no annotation 5 LEU A 149
THR A 103
LEU A 101
GLY A 152
ILE A 134
 None
 1.16A 4o5fA-2pgcA:
undetectable
4o5fB-2pgcA:
undetectable		 4o5fA-2pgcA:
19.92
4o5fB-2pgcA:
19.92
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.
2qa2 POLYKETIDE OXYGENASE
CABE

(Streptomyces) 		PF01494
(FAD_binding_3) 		5 LEU A 123
VAL A   8
LEU A 272
GLY A 150
ASP A 152
 None
FAD  A 500 ( 4.9A)
None
None
FAD  A 500 (-4.8A)
 1.05A 4o5fA-2qa2A:
undetectable
4o5fB-2qa2A:
undetectable		 4o5fA-2qa2A:
23.15
4o5fB-2qa2A:
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.
2qae DIHYDROLIPOYL
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 281
THR A 144
VAL A 288
THR A 140
ILE A   8
 FAD  A 480 ( 4.6A)
FAD  A 480 (-3.9A)
None
None
FAD  A 480 (-4.7A)
 1.10A 4o5fA-2qaeA:
undetectable
4o5fB-2qaeA:
undetectable		 4o5fA-2qaeA:
21.11
4o5fB-2qaeA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qde MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Aromatoleum
aromaticum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  35
LEU A 373
ASP A 344
THR A  15
ILE A  13
 None
 0.89A 4o5fA-2qdeA:
undetectable
4o5fB-2qdeA:
undetectable		 4o5fA-2qdeA:
22.25
4o5fB-2qdeA:
22.25
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.
2qgh DIAMINOPIMELATE
DECARBOXYLASE

(Helicobacter
pylori) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 THR A 273
ASN A 294
VAL A 328
GLY A 326
ASP A 333
 None
 1.29A 4o5fA-2qghA:
undetectable
4o5fB-2qghA:
undetectable		 4o5fA-2qghA:
22.90
4o5fB-2qghA:
22.90
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.
3bex TYPE III
PANTOTHENATE KINASE

(Thermotoga
maritima) 		PF03309
(Pan_kinase) 		7 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.36A 4o5fA-3bexA:
26.1
4o5fB-3bexA:
26.4		 4o5fA-3bexA:
24.82
4o5fB-3bexA:
24.82
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.
3bex TYPE III
PANTOTHENATE KINASE

(Thermotoga
maritima) 		PF03309
(Pan_kinase) 		7 ASN A   9
VAL A  62
TYR A 140
GLY A 103
ASP A 105
ARG A 106
THR A 131
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
None
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
 1.48A 4o5fA-3bexA:
26.1
4o5fB-3bexA:
26.4		 4o5fA-3bexA:
24.82
4o5fB-3bexA:
24.82
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.
3d6j PUTATIVE HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacteroides
fragilis) 		PF13419
(HAD_2) 		5 GLN A 209
LEU A 210
THR A 183
THR A  13
ILE A 165
 None
 1.27A 4o5fA-3d6jA:
undetectable
4o5fB-3d6jA:
undetectable		 4o5fA-3d6jA:
19.72
4o5fB-3d6jA:
19.72
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.
3djc TYPE III
PANTOTHENATE KINASE

(Legionella
pneumophila) 		PF03309
(Pan_kinase) 		7 ASN A   9
VAL A  64
TYR A  99
GLY A 106
ASP A 108
THR A 135
ILE A 150
 None
 0.69A 4o5fA-3djcA:
25.7
4o5fB-3djcA:
25.7		 4o5fA-3djcA:
27.24
4o5fB-3djcA:
27.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1

(Homo sapiens) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 GLN A 704
LEU A 708
GLY A 699
THR A 108
ILE A 111
 None
 1.09A 4o5fA-3dwbA:
undetectable
4o5fB-3dwbA:
undetectable		 4o5fA-3dwbA:
18.93
4o5fB-3dwbA:
18.93
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.
3fca CYSTEINE SYNTHASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 GLN A 132
LEU A 130
LEU A  81
GLY A  65
ILE A  56
 None
 1.29A 4o5fA-3fcaA:
undetectable
4o5fB-3fcaA:
undetectable		 4o5fA-3fcaA:
25.00
4o5fB-3fcaA:
25.00
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.
3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 THR A  45
ASN A 166
LEU A  87
GLY A  12
ASP A  14
 None
DNB  A 502 (-3.4A)
None
None
DNB  A 502 (-2.9A)
 1.19A 4o5fA-3g5iA:
undetectable
4o5fB-3g5iA:
undetectable		 4o5fA-3g5iA:
24.17
4o5fB-3g5iA:
24.17
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.
3i6r DIHYDROOROTATE
DEHYDROGENASE
HOMOLOG,
MITOCHONDRIAL

(Plasmodium
falciparum) 		PF01180
(DHO_dh) 		5 GLN A 297
LEU A 238
LEU A 290
ASP A 337
ILE A 245
 None
 1.15A 4o5fA-3i6rA:
undetectable
4o5fB-3i6rA:
undetectable		 4o5fA-3i6rA:
21.74
4o5fB-3i6rA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ing HOMOSERINE
DEHYDROGENASE

(Thermoplasma
acidophilum) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 VAL A  36
LEU A  77
GLY A  38
THR A  11
ILE A  66
 None
None
None
NDP  A 326 (-4.5A)
None
 1.17A 4o5fA-3ingA:
undetectable
4o5fB-3ingA:
undetectable		 4o5fA-3ingA:
23.03
4o5fB-3ingA:
23.03
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.
3iq1 DPS FAMILY PROTEIN

(Vibrio cholerae) 		PF00210
(Ferritin) 		5 LEU A 151
LEU A 114
GLY A 110
THR A  34
ILE A  56
 None
 1.19A 4o5fA-3iq1A:
undetectable
4o5fB-3iq1A:
undetectable		 4o5fA-3iq1A:
18.88
4o5fB-3iq1A:
18.88
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.
3k9d ALDEHYDE
DEHYDROGENASE

(Listeria
monocytogenes) 		PF00171
(Aldedh) 		5 THR A 419
ASN A 137
LEU A 115
GLY A 114
ILE A 215
 None
 1.26A 4o5fA-3k9dA:
undetectable
4o5fB-3k9dA:
undetectable		 4o5fA-3k9dA:
25.05
4o5fB-3k9dA:
25.05
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.
3l5o UNCHARACTERIZED
PROTEIN FROM DUF364
FAMILY

(Desulfitobacterium
hafniense) 		PF04016
(DUF364)
PF13938
(DUF4213) 		5 LEU A  21
THR A  52
VAL A 232
GLY A  24
ILE A  77
 None
 1.15A 4o5fA-3l5oA:
undetectable
4o5fB-3l5oA:
undetectable		 4o5fA-3l5oA:
22.36
4o5fB-3l5oA:
22.36
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.
3lkx TRANSCRIPTION FACTOR
BTF3
NASCENT
POLYPEPTIDE-ASSOCIAT
ED COMPLEX SUBUNIT
ALPHA

(Homo sapiens;
Homo sapiens) 		PF01849
(NAC)
PF01849
(NAC) 		5 THR B  36
LEU A  82
GLY A  83
ASP A  85
THR B  33
 None
 1.13A 4o5fA-3lkxB:
undetectable
4o5fB-3lkxB:
undetectable		 4o5fA-3lkxB:
12.62
4o5fB-3lkxB:
12.62
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.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		5 VAL A 168
LEU A 208
ARG A 166
THR A 385
ILE A 384
 None
 0.92A 4o5fA-3lnpA:
undetectable
4o5fB-3lnpA:
undetectable		 4o5fA-3lnpA:
23.57
4o5fB-3lnpA:
23.57
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.
3m7h PUTIDACIN L1

(Pseudomonas
putida) 		PF01453
(B_lectin) 		5 GLN A 117
LEU A 116
VAL A 123
ARG A 249
ILE A  48
 None
 1.30A 4o5fA-3m7hA:
undetectable
4o5fB-3m7hA:
undetectable		 4o5fA-3m7hA:
24.84
4o5fB-3m7hA:
24.84
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.
3mdq EXOPOLYPHOSPHATASE

(Cytophaga
hutchinsonii) 		PF02541
(Ppx-GppA) 		5 THR A  12
GLY A 161
ARG A 164
THR A  45
ILE A  44
 SO4  A 317 (-4.0A)
None
CL  A 316 (-4.3A)
CL  A 316 ( 4.4A)
None
 1.29A 4o5fA-3mdqA:
10.0
4o5fB-3mdqA:
3.6		 4o5fA-3mdqA:
24.71
4o5fB-3mdqA:
24.71
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.
3oc9 UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Entamoeba
histolytica) 		PF01704
(UDPGP) 		5 LEU A  94
THR A  96
VAL A 182
GLY A  39
ILE A 104
 None
 1.05A 4o5fA-3oc9A:
undetectable
4o5fB-3oc9A:
undetectable		 4o5fA-3oc9A:
18.94
4o5fB-3oc9A:
18.94
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.
3p9n POSSIBLE
METHYLTRANSFERASE
(METHYLASE)

(Mycobacterium
tuberculosis) 		PF03602
(Cons_hypoth95) 		5 LEU A  89
VAL A  69
LEU A  57
GLY A  58
ILE A   4
 None
 1.29A 4o5fA-3p9nA:
2.4
4o5fB-3p9nA:
2.2		 4o5fA-3p9nA:
22.86
4o5fB-3p9nA:
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.
3pc3 CG1753, ISOFORM A

(Drosophila
melanogaster) 		PF00291
(PALP)
PF00571
(CBS) 		5 LEU A 150
ASN A 349
GLY A 122
THR A 115
ILE A 136
 None
None
None
P1T  A 702 (-3.7A)
None
 1.13A 4o5fA-3pc3A:
undetectable
4o5fB-3pc3A:
undetectable		 4o5fA-3pc3A:
20.26
4o5fB-3pc3A:
20.26
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.
3pfi HOLLIDAY JUNCTION
ATP-DEPENDENT DNA
HELICASE RUVB

(Campylobacter
jejuni) 		PF05491
(RuvB_C)
PF05496
(RuvB_N) 		5 LEU A 115
LEU A  98
ASP A  93
THR A  83
ILE A 109
 None
 1.18A 4o5fA-3pfiA:
undetectable
4o5fB-3pfiA:
undetectable		 4o5fA-3pfiA:
22.29
4o5fB-3pfiA:
22.29
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.
3qfw RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE/OXYGENAS
E LARGE SUBUNIT

(Rhodopseudomonas
palustris) 		PF00016
(RuBisCO_large) 		5 VAL A 361
LEU A 157
GLY A 158
THR A 199
ILE A 163
 None
 1.19A 4o5fA-3qfwA:
undetectable
4o5fB-3qfwA:
undetectable		 4o5fA-3qfwA:
25.06
4o5fB-3qfwA:
25.06
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.
3quf EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		PF13416
(SBP_bac_8) 		5 LEU A 121
THR A 138
ASN A 334
VAL A 143
ILE A 115
 None
 1.04A 4o5fA-3qufA:
undetectable
4o5fB-3qufA:
undetectable		 4o5fA-3qufA:
24.48
4o5fB-3qufA:
24.48
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.
3tqi GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Coxiella
burnetii) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		5 LEU A 378
LEU A 390
GLY A 387
THR A 210
ILE A 213
 None
 1.19A 4o5fA-3tqiA:
undetectable
4o5fB-3tqiA:
undetectable		 4o5fA-3tqiA:
21.94
4o5fB-3tqiA:
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.
3ug7 ARSENICAL
PUMP-DRIVING ATPASE

(Methanocaldococcus
jannaschii) 		PF02374
(ArsA_ATPase) 		6 THR A  46
VAL A 243
TYR A 333
LEU A  12
ARG A 241
ILE A  29
 None
 1.44A 4o5fA-3ug7A:
undetectable
4o5fB-3ug7A:
undetectable		 4o5fA-3ug7A:
20.11
4o5fB-3ug7A:
20.11
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.
3uhj PROBABLE GLYCEROL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00465
(Fe-ADH) 		5 LEU A  67
THR A 138
VAL A  57
GLY A 112
ILE A  41
 None
 1.24A 4o5fA-3uhjA:
undetectable
4o5fB-3uhjA:
undetectable		 4o5fA-3uhjA:
26.49
4o5fB-3uhjA:
26.49
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.
3wwx S12 FAMILY PEPTIDASE

(Streptomyces
sp. 82F2) 		PF00144
(Beta-lactamase) 		5 LEU A 287
THR A  90
VAL A 347
GLY A 333
THR A 302
 None
 1.24A 4o5fA-3wwxA:
undetectable
4o5fB-3wwxA:
undetectable		 4o5fA-3wwxA:
22.49
4o5fB-3wwxA:
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.
4ewj ENOLASE 2

(Streptococcus
suis) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 GLN A  87
THR A 354
LEU A 112
THR A 381
ILE A 385
 None
 1.15A 4o5fA-4ewjA:
undetectable
4o5fB-4ewjA:
undetectable		 4o5fA-4ewjA:
22.03
4o5fB-4ewjA:
22.03
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.
4fdd TRANSPORTIN-1

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 GLN A 753
LEU A 754
THR A 729
LEU A 713
GLY A 714
 None
 1.19A 4o5fA-4fddA:
undetectable
4o5fB-4fddA:
undetectable		 4o5fA-4fddA:
15.23
4o5fB-4fddA:
15.23
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.
4i6v AMIDOHYDROLASE 2

(Planctopirus
limnophila) 		PF02614
(UxaC) 		5 GLN A 301
LEU A 299
VAL A 297
LEU A 217
ILE A 316
 None
 1.29A 4o5fA-4i6vA:
undetectable
4o5fB-4i6vA:
undetectable		 4o5fA-4i6vA:
22.07
4o5fB-4i6vA:
22.07
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.
4jq9 DIHYDROLIPOYL
DEHYDROGENASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 421
THR A 397
LEU A 454
GLY A 453
THR A 447
 None
 1.11A 4o5fA-4jq9A:
undetectable
4o5fB-4jq9A:
undetectable		 4o5fA-4jq9A:
21.81
4o5fB-4jq9A:
21.81
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.
4k5r OXYGENASE

(Streptomyces
argillaceus) 		PF01494
(FAD_binding_3) 		5 LEU A 137
VAL A  18
LEU A 289
GLY A 164
ASP A 166
 None
FAD  A 601 ( 4.9A)
None
None
FAD  A 601 (-4.7A)
 1.27A 4o5fA-4k5rA:
undetectable
4o5fB-4k5rA:
undetectable		 4o5fA-4k5rA:
22.16
4o5fB-4k5rA:
22.16
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.
4kgb SUCCINYL-COA:3-KETOA
CID-COENZYME A
TRANSFERASE

(Drosophila
melanogaster) 		PF01144
(CoA_trans) 		5 THR A 393
ASN A 408
LEU A 317
GLY A 318
THR A 436
 None
 1.17A 4o5fA-4kgbA:
undetectable
4o5fB-4kgbA:
undetectable		 4o5fA-4kgbA:
20.43
4o5fB-4kgbA:
20.43
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.
4kxb GLUTAMYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 LEU A 658
VAL A 629
LEU A 671
THR A 635
ILE A 639
 None
 1.25A 4o5fA-4kxbA:
undetectable
4o5fB-4kxbA:
undetectable		 4o5fA-4kxbA:
15.04
4o5fB-4kxbA:
15.04
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.
4l27 CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		no annotation 5 LEU B 181
ASN B 380
GLY B 153
THR B 146
ILE B 167
 None
 1.12A 4o5fA-4l27B:
1.0
4o5fB-4l27B:
undetectable		 4o5fA-4l27B:
20.22
4o5fB-4l27B:
20.22
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.
4mx3 CAMP-DEPENDENT
PROTEIN KINASE TYPE
I-ALPHA REGULATORY
SUBUNIT

(Bos taurus) 		PF00027
(cNMP_binding) 		5 LEU A 233
ASN A 133
VAL A 174
GLY A 223
ILE A 147
 None
 1.04A 4o5fA-4mx3A:
undetectable
4o5fB-4mx3A:
undetectable		 4o5fA-4mx3A:
22.68
4o5fB-4mx3A:
22.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o5f TYPE III
PANTOTHENATE KINASE

(Burkholderia
thailandensis) 		PF03309
(Pan_kinase) 		9 ASN A  12
VAL A  55
TYR A  93
LEU A  99
GLY A 100
ASP A 102
ARG A 103
THR A 129
ILE A 144
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-4.5A)
PAU  A 301 ( 4.6A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
PAU  A 301 ( 4.4A)
 0.10A 4o5fA-4o5fA:
44.7
4o5fB-4o5fA:
36.6		 4o5fA-4o5fA:
100.00
4o5fB-4o5fA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pe5 GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 LEU B 465
VAL B 417
LEU B 513
GLY B 511
ILE B 408
 None
None
GLU  B 921 (-4.5A)
None
None
 1.03A 4o5fA-4pe5B:
undetectable
4o5fB-4pe5B:
2.2		 4o5fA-4pe5B:
16.26
4o5fB-4pe5B:
16.26
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		5 LEU A 557
VAL A 583
GLY A 569
THR A 608
ILE A 598
 None
 1.29A 4o5fA-4sliA:
undetectable
4o5fB-4sliA:
undetectable		 4o5fA-4sliA:
18.40
4o5fB-4sliA:
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.
4txv THIOL:DISULFIDE
INTERCHANGE PROTEIN
TLPA

(Bradyrhizobium
diazoefficiens) 		PF08534
(Redoxin) 		5 GLN A 121
LEU A 120
LEU A  98
THR A 214
ILE A 210
 None
 1.06A 4o5fA-4txvA:
undetectable
4o5fB-4txvA:
undetectable		 4o5fA-4txvA:
26.16
4o5fB-4txvA:
26.16
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.
4v36 LYSYL-TRNA-DEPENDENT
L-YSYL-PHOSPHATIDYLG
YCEROL SYNTHASE

(Bacillus
licheniformis) 		PF09924
(DUF2156) 		5 GLN A 568
LEU A 579
ASN A 544
LEU A 552
GLY A 550
 None
 1.22A 4o5fA-4v36A:
undetectable
4o5fB-4v36A:
undetectable		 4o5fA-4v36A:
21.05
4o5fB-4v36A:
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.
4wbo RHODOPSIN KINASE

(Bos taurus) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 LEU A 315
LEU A 427
GLY A 376
THR A 295
ILE A 298
 None
 1.20A 4o5fA-4wboA:
undetectable
4o5fB-4wboA:
undetectable		 4o5fA-4wboA:
19.71
4o5fB-4wboA:
19.71
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.
4wd2 AROMATIC-AMINO-ACID
TRANSAMINASE TYRB

(Burkholderia
cenocepacia) 		PF00155
(Aminotran_1_2) 		5 GLN A 357
LEU A 361
TYR A 341
GLY A 352
ILE A 369
 None
 1.26A 4o5fA-4wd2A:
undetectable
4o5fB-4wd2A:
undetectable		 4o5fA-4wd2A:
27.40
4o5fB-4wd2A:
27.40
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.
4wvi MALTOSE-BINDING
PERIPLASMIC
PROTEIN,SIGNAL
PEPTIDASE IB

(Escherichia
coli;
Staphylococcus
aureus) 		PF00717
(Peptidase_S24)
PF13416
(SBP_bac_8) 		5 LEU A 494
TYR A 456
GLY A 497
ARG A 500
THR A 470
 None
 1.21A 4o5fA-4wviA:
undetectable
4o5fB-4wviA:
undetectable		 4o5fA-4wviA:
21.25
4o5fB-4wviA:
21.25
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.
4x9q SUPEROXIDE DISMUTASE
[MN] 2,
MITOCHONDRIAL

(Caenorhabditis
elegans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 LEU A 106
LEU A 151
GLY A 126
THR A  95
ILE A  96
 None
 1.18A 4o5fA-4x9qA:
undetectable
4o5fB-4x9qA:
undetectable		 4o5fA-4x9qA:
20.83
4o5fB-4x9qA:
20.83
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.
4xpr ALPHA-GLUCOSIDASE

(Pseudopedobacter
saltans) 		PF01055
(Glyco_hydro_31)
PF17137
(DUF5110) 		5 LEU A 350
VAL A 359
TYR A 429
GLY A 361
ILE A 306
 None
 1.03A 4o5fA-4xprA:
undetectable
4o5fB-4xprA:
undetectable		 4o5fA-4xprA:
17.78
4o5fB-4xprA:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z19 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Yersinia pestis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 LEU A  22
THR A  28
GLY A 152
THR A  37
ILE A  33
 None
 1.06A 4o5fA-4z19A:
undetectable
4o5fB-4z19A:
undetectable		 4o5fA-4z19A:
24.25
4o5fB-4z19A:
24.25
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.
4zlg PUTATIVE B-GLYCAN
PHOSPHORYLASE

(Saccharophagus
degradans) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 THR A 492
VAL A 484
ASP A 458
ARG A 457
ILE A 522
 None
 1.28A 4o5fA-4zlgA:
undetectable
4o5fB-4zlgA:
undetectable		 4o5fA-4zlgA:
16.08
4o5fB-4zlgA:
16.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b8h TYPE III
PANTOTHENATE KINASE

(Burkholderia
cenocepacia) 		PF03309
(Pan_kinase) 		9 ASN A  12
VAL A  58
TYR A  96
LEU A 102
GLY A 103
ASP A 105
ARG A 106
THR A 132
ILE A 147
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-4.4A)
PAU  A 302 (-4.6A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
PAU  A 302 ( 4.3A)
 0.11A 4o5fA-5b8hA:
36.6
4o5fB-5b8hA:
36.8		 4o5fA-5b8hA:
71.33
4o5fB-5b8hA:
71.33
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.
5c2v HYDRAZINE SYNTHASE
BETA SUBUNIT

(Candidatus
Kuenenia
stuttgartiensis) 		PF02239
(Cytochrom_D1) 		5 GLN B 243
ASN B 263
GLY B 288
THR B 313
ILE B 304
 None
 1.21A 4o5fA-5c2vB:
undetectable
4o5fB-5c2vB:
undetectable		 4o5fA-5c2vB:
21.11
4o5fB-5c2vB:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5czc MALONYL-COA-[ACYL-CA
RRIER-PROTEIN]
TRANSACYLASE

(Streptomyces
halstedii) 		no annotation 5 THR A 302
VAL A 290
GLY A 298
ASP A 294
ILE A 179
 None
 1.26A 4o5fA-5czcA:
undetectable
4o5fB-5czcA:
undetectable		 4o5fA-5czcA:
24.70
4o5fB-5czcA:
24.70
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.
5ehk LANTIBIOTIC
DEHYDRATASE

(Microbispora
corallina) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		5 VAL A1105
LEU A1007
GLY A1103
ARG A1102
THR A1001
 None
 1.25A 4o5fA-5ehkA:
undetectable
4o5fB-5ehkA:
undetectable		 4o5fA-5ehkA:
14.70
4o5fB-5ehkA:
14.70
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.
5eqq NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		5 GLN A1073
VAL A1083
GLY A1060
ARG A1062
THR A1038
 None
None
SO4  A1201 ( 4.0A)
None
None
 1.27A 4o5fA-5eqqA:
undetectable
4o5fB-5eqqA:
undetectable		 4o5fA-5eqqA:
22.09
4o5fB-5eqqA:
22.09
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.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis) 		PF14592
(Chondroitinas_B) 		5 GLN A 109
LEU A  79
GLY A  78
THR A  50
ILE A  75
 None
 1.25A 4o5fA-5gkqA:
undetectable
4o5fB-5gkqA:
undetectable		 4o5fA-5gkqA:
17.43
4o5fB-5gkqA:
17.43
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.
5kdx METALLOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF13402
(Peptidase_M60) 		5 LEU A 510
VAL A 529
LEU A 481
GLY A 480
ILE A 467
 None
EDO  A1016 ( 4.9A)
EDO  A1009 ( 3.5A)
EDO  A1011 (-3.2A)
None
 1.18A 4o5fA-5kdxA:
undetectable
4o5fB-5kdxA:
undetectable		 4o5fA-5kdxA:
17.04
4o5fB-5kdxA:
17.04
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.
5l3r SIGNAL RECOGNITION
PARTICLE 54 KDA
PROTEIN,
CHLOROPLASTIC
CELL DIVISION
PROTEIN FTSY
HOMOLOG,
CHLOROPLASTIC

(Arabidopsis
thaliana;
Arabidopsis
thaliana) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF00448
(SRP54)
PF02881
(SRP54_N) 		5 GLN A 185
THR B 179
ASN B 294
GLY B 346
ASP B 321
 GCP  B 401 ( 3.6A)
GCP  B 401 (-3.6A)
None
GCP  B 401 (-3.4A)
GCP  B 401 (-3.2A)
 1.18A 4o5fA-5l3rA:
undetectable
4o5fB-5l3rA:
undetectable		 4o5fA-5l3rA:
25.46
4o5fB-5l3rA:
25.46
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.
5ldn HEXON PROTEIN,HEXON
CAPSID

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 LEU A 600
THR A 111
LEU A 596
GLY A 597
ILE A 326
 None
 1.17A 4o5fA-5ldnA:
undetectable
4o5fB-5ldnA:
undetectable		 4o5fA-5ldnA:
15.19
4o5fB-5ldnA:
15.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4

(Homo sapiens) 		no annotation 5 GLN A  91
LEU A 427
THR A 335
LEU A  76
GLY A  92
 GLN  A  91 ( 0.6A)
LEU  A 427 ( 0.6A)
THR  A 335 ( 0.8A)
LEU  A  76 ( 0.6A)
GLY  A  92 ( 0.0A)
 1.27A 4o5fA-5nksA:
undetectable
4o5fB-5nksA:
undetectable		 4o5fA-5nksA:
20.29
4o5fB-5nksA:
20.29
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.
5nkz UBIQUITIN-CONJUGATIN
G ENZYME E2-21 KDA

(Ogataea angusta) 		no annotation 5 GLN A 134
LEU A 137
VAL A  15
TYR A  71
ILE A  65
 None
 1.24A 4o5fA-5nkzA:
undetectable
4o5fB-5nkzA:
undetectable		 4o5fA-5nkzA:
undetectable
4o5fB-5nkzA:
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.
5ool 39S RIBOSOMAL
PROTEIN L37,
MITOCHONDRIAL

(Homo sapiens) 		PF07147
(PDCD9) 		5 LEU 5 121
LEU 5 113
GLY 5 116
ASP 5 307
ILE 5 314
 None
 1.21A 4o5fA-5ool5:
undetectable
4o5fB-5ool5:
undetectable		 4o5fA-5ool5:
21.16
4o5fB-5ool5:
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.
5tnv AP ENDONUCLEASE,
FAMILY PROTEIN 2

(Mycolicibacterium
smegmatis) 		PF01261
(AP_endonuc_2) 		5 LEU A 254
TYR A 221
LEU A 204
GLY A 205
ILE A 233
 None
 1.14A 4o5fA-5tnvA:
undetectable
4o5fB-5tnvA:
1.4		 4o5fA-5tnvA:
25.83
4o5fB-5tnvA:
25.83
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.
5tru CYTOTOXIC
T-LYMPHOCYTE PROTEIN
4

(Homo sapiens) 		PF07686
(V-set) 		5 VAL c   5
TYR c 104
LEU c 106
GLY c 107
THR c  37
 None
 1.27A 4o5fA-5truc:
undetectable
4o5fB-5truc:
undetectable		 4o5fA-5truc:
17.69
4o5fB-5truc:
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.
5u1s SEPARIN

(Saccharomyces
cerevisiae) 		PF03568
(Peptidase_C50) 		5 GLN A1510
LEU A1528
GLY A1507
THR A1550
ILE A1517
 None
 1.03A 4o5fA-5u1sA:
2.5
4o5fB-5u1sA:
undetectable		 4o5fA-5u1sA:
9.41
4o5fB-5u1sA:
9.41
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.
5ubw DEUBIQUITINASE SSEL

(Salmonella
enterica) 		no annotation 5 LEU A 217
THR A 169
GLY A 286
THR A 292
ILE A 293
 None
 1.26A 4o5fA-5ubwA:
undetectable
4o5fB-5ubwA:
undetectable		 4o5fA-5ubwA:
undetectable
4o5fB-5ubwA:
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.
5usx THIOREDOXIN
REDUCTASE

(Vibrio
vulnificus) 		PF07992
(Pyr_redox_2) 		5 GLN A 255
LEU A 256
LEU A  97
THR A 113
ILE A 111
 None
None
None
FAD  A 402 (-4.1A)
None
 1.24A 4o5fA-5usxA:
undetectable
4o5fB-5usxA:
undetectable		 4o5fA-5usxA:
21.19
4o5fB-5usxA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c0d AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Paraburkholderia
phymatum) 		no annotation 5 LEU A 134
GLY A  61
ASP A  60
ARG A 173
ILE A 144
 None
 1.28A 4o5fA-6c0dA:
undetectable
4o5fB-6c0dA:
undetectable		 4o5fA-6c0dA:
undetectable
4o5fB-6c0dA:
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.
6elw PHOSPHOLIPID
HYDROPEROXIDE
GLUTATHIONE
PEROXIDASE,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 VAL A 149
GLY A 126
ARG A 152
THR A 139
ILE A 134
 None
 1.23A 4o5fA-6elwA:
undetectable
4o5fB-6elwA:
undetectable		 4o5fA-6elwA:
undetectable
4o5fB-6elwA:
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.
6f5d ATP SYNTHASE SUBUNIT
BETA

(Trypanosoma
brucei) 		no annotation 5 LEU D 340
VAL D 315
TYR D 152
GLY D 159
ILE D 171
 None
 1.18A 4o5fA-6f5dD:
undetectable
4o5fB-6f5dD:
undetectable		 4o5fA-6f5dD:
undetectable
4o5fB-6f5dD:
undetectable