SIMILAR PATTERNS OF AMINO ACIDS FOR 4O5F_A_PAUA301_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.
1cov COXSACKIEVIRUS COAT
PROTEIN

(Enterovirus B) 		PF00073
(Rhv) 		5 LEU 3 104
GLY 3  90
ILE 3 114
GLN 3  88
LEU 3  87
 None
 1.28A 4o5fA-1cov3:
undetectable
4o5fB-1cov3:
undetectable		 4o5fA-1cov3:
19.44
4o5fB-1cov3:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ebl BETA-KETOACYL-ACP
SYNTHASE III

(Escherichia
coli) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 152
THR A  37
ILE A  33
LEU A  22
THR A  28
 COA  A1350 (-3.7A)
COA  A1350 (-4.6A)
None
None
None
 0.98A 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 VAL A 437
LEU A 347
GLY A 415
ILE A 419
LEU A 445
 None
 1.25A 4o5fA-1ethA:
undetectable
4o5fB-1ethA:
1.0		 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 LEU B 184
GLY B 181
ILE B  84
GLN B  20
LEU B  17
 None
 1.15A 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.
1iqc DI-HEME PEROXIDASE

(Nitrosomonas
europaea) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		5 ASN A  77
LEU A 282
ARG A 234
ILE A   8
THR A 151
 HEM  A 401 (-3.5A)
None
None
None
None
 1.28A 4o5fA-1iqcA:
undetectable
4o5fB-1iqcA:
undetectable		 4o5fA-1iqcA:
22.26
4o5fB-1iqcA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kb0 QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 ASN A 121
TYR A 191
GLY A 180
THR A 165
THR A 156
 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
 1.24A 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 VAL A  61
LEU A  29
GLY A  28
ASP A  60
THR A  24
 None
 1.17A 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
 1.28A 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 GLY A 142
ASP A 141
THR A 165
LEU A 216
THR A 168
 None
 1.02A 4o5fA-1smlA:
undetectable
4o5fB-1smlA:
undetectable		 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 ASN A1258
GLY A1299
ILE A1251
LEU A1255
THR A1287
 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 ASN A 140
LEU A 149
ILE A 159
LEU A 177
THR A 186
 None
 1.12A 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 ASN A 140
THR A 133
ILE A 159
LEU A 177
THR A 186
 None
 0.99A 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 VAL A  16
GLY A  12
ILE A  41
GLN A 291
LEU A  69
 None
 1.29A 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 GLY A  47
THR A  69
ILE A  65
GLN A  31
LEU A 104
 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.
1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE

(Escherichia
coli) 		PF00171
(Aldedh) 		5 GLY A 204
THR A 212
ILE A 232
LEU A 222
THR A 228
 NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
None
NAI  A1001 (-2.9A)
 1.28A 4o5fA-1wnbA:
undetectable
4o5fB-1wnbA:
undetectable		 4o5fA-1wnbA:
24.72
4o5fB-1wnbA:
24.72
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.
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.
1z5v TUBULIN GAMMA-1
CHAIN

(Homo sapiens) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 VAL A 166
LEU A 132
GLY A 134
ILE A 122
LEU A   8
 None
 1.18A 4o5fA-1z5vA:
0.2
4o5fB-1z5vA:
1.5		 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 LEU A 307
THR A 298
ILE A 297
GLN A 262
LEU A 249
 None
 1.26A 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 VAL A  61
LEU A  29
GLY A  28
ASP A  60
THR A  24
 None
 1.18A 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.
2c1u DI-HAEM CYTOCHROME C
PEROXIDASE

(Paracoccus
pantotrophus) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		5 ASN A 103
LEU A 313
ARG A 265
ILE A  21
THR A 179
 HEC  A 401 (-4.0A)
None
None
None
None
 1.29A 4o5fA-2c1uA:
undetectable
4o5fB-2c1uA:
undetectable		 4o5fA-2c1uA:
22.97
4o5fB-2c1uA:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c6s ADENOVIRUS 2,12
PENTON BASE CHIMERA

(Human
mastadenovirus
C) 		PF01686
(Adeno_Penton_B) 		5 VAL A 498
LEU A 495
GLY A 496
THR A  93
LEU A 378
 None
 1.24A 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 ASN A  39
GLY A  27
THR A  31
ILE A  30
THR A  22
 None
 1.17A 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 VAL A  80
LEU A   9
THR A 337
ILE A 338
LEU A  30
 None
 1.16A 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
 0.65A 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 VAL A 254
GLY A 234
THR A 249
ILE A 244
LEU A 264
 None
 1.25A 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.
2h8a MICROSOMAL
GLUTATHIONE
S-TRANSFERASE 1

(Rattus
norvegicus) 		PF01124
(MAPEG) 		5 VAL A  83
TYR A  92
LEU A  91
GLY A  87
THR A 140
 None
 1.31A 4o5fA-2h8aA:
undetectable
4o5fB-2h8aA:
undetectable		 4o5fA-2h8aA:
18.22
4o5fB-2h8aA:
18.22
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.
2hbw NLP/P60 PROTEIN

(Trichormus
variabilis) 		PF00877
(NLPC_P60) 		5 LEU A 165
GLY A 178
THR A 104
ILE A 101
LEU A 181
 None
 1.29A 4o5fA-2hbwA:
undetectable
4o5fB-2hbwA:
undetectable		 4o5fA-2hbwA:
23.00
4o5fB-2hbwA:
23.00
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.
2j6i FORMATE
DEHYDROGENASE

([Candida]
boidinii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A  92
THR A  66
ILE A  65
LEU A  28
THR A 327
 None
 1.21A 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.
2l52 METHANOSARCINA
ACETIVORANS SAMP1
HOMOLOG

(Methanosarcina
acetivorans) 		PF02597
(ThiS) 		5 VAL A   8
LEU A  68
GLY A  91
ILE A  65
LEU A  14
 None
 1.30A 4o5fA-2l52A:
undetectable
4o5fB-2l52A:
undetectable		 4o5fA-2l52A:
19.57
4o5fB-2l52A:
19.57
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.
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
 0.57A 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 ASN A  75
LEU A  32
GLY A  29
ILE A  66
THR A  69
 None
 1.17A 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 GLY A 151
ILE A 280
GLN A  81
LEU A  59
THR A 282
 TDP  A3001 (-3.2A)
None
None
None
None
 0.95A 4o5fA-2o1sA:
undetectable
4o5fB-2o1sA:
2.0		 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
 1.28A 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 101
GLY A 152
ILE A 134
LEU A 149
THR A 103
 None
 1.17A 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 VAL A   8
LEU A 272
GLY A 150
ASP A 152
LEU A 123
 FAD  A 500 ( 4.9A)
None
None
FAD  A 500 (-4.8A)
None
 1.06A 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.
2qde MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Aromatoleum
aromaticum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 373
ASP A 344
THR A  15
ILE A  13
LEU A  35
 None
 0.87A 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.
2vhd CYTOCHROME C551
PEROXIDASE

(Pseudomonas
aeruginosa) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		5 ASN A  89
LEU A 299
ARG A 251
ILE A  14
THR A 165
 HEC  A 401 ( 4.9A)
None
None
None
None
 1.31A 4o5fA-2vhdA:
undetectable
4o5fB-2vhdA:
undetectable		 4o5fA-2vhdA:
22.85
4o5fB-2vhdA:
22.85
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.
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)
 0.34A 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)
 1.49A 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.
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 GLY A 699
THR A 108
ILE A 111
GLN A 704
LEU A 708
 None
 1.10A 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.
3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 ASN A 166
LEU A  87
GLY A  12
ASP A  14
THR A  45
 DNB  A 502 (-3.4A)
None
None
DNB  A 502 (-2.9A)
None
 1.17A 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 LEU A 290
ASP A 337
ILE A 245
GLN A 297
LEU A 238
 None
 1.16A 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.
3iq1 DPS FAMILY PROTEIN

(Vibrio cholerae) 		PF00210
(Ferritin) 		5 LEU A 114
GLY A 110
THR A  34
ILE A  56
LEU A 151
 None
 1.21A 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.
3ir4 GLUTAREDOXIN 2

(Salmonella
enterica) 		PF04399
(Glutaredoxin2_C)
PF13417
(GST_N_3) 		5 ASN A  94
VAL A  93
LEU A 153
ILE A  86
LEU A 175
 CL  A 217 ( 4.5A)
None
None
None
None
 1.29A 4o5fA-3ir4A:
undetectable
4o5fB-3ir4A:
undetectable		 4o5fA-3ir4A:
20.71
4o5fB-3ir4A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k9d ALDEHYDE
DEHYDROGENASE

(Listeria
monocytogenes) 		PF00171
(Aldedh) 		5 ASN A 137
LEU A 115
GLY A 114
ILE A 215
THR A 419
 None
 1.25A 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 VAL A 232
GLY A  24
ILE A  77
LEU A  21
THR A  52
 None
 1.11A 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 LEU A  82
GLY A  83
ASP A  85
THR B  33
THR B  36
 None
 1.11A 4o5fA-3lkxA:
undetectable
4o5fB-3lkxA:
undetectable		 4o5fA-3lkxA:
14.46
4o5fB-3lkxA:
14.46
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.
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
 0.93A 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.
3mdq EXOPOLYPHOSPHATASE

(Cytophaga
hutchinsonii) 		PF02541
(Ppx-GppA) 		5 GLY A 161
ARG A 164
THR A  45
ILE A  44
THR A  12
 None
CL  A 316 (-4.3A)
CL  A 316 ( 4.4A)
None
SO4  A 317 (-4.0A)
 1.31A 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 VAL A 182
GLY A  39
ILE A 104
LEU A  94
THR A  96
 None
 1.04A 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.
3pc3 CG1753, ISOFORM A

(Drosophila
melanogaster) 		PF00291
(PALP)
PF00571
(CBS) 		5 ASN A 349
GLY A 122
THR A 115
ILE A 136
LEU A 150
 None
None
P1T  A 702 (-3.7A)
None
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  98
ASP A  93
THR A  83
ILE A 109
LEU A 115
 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.
3tef IRON(III) ABC
TRANSPORTER,
PERIPLASMIC
IRON-COMPOUND-BINDIN
G PROTEIN

(Vibrio cholerae) 		PF01497
(Peripla_BP_2) 		5 VAL A  73
LEU A 116
GLY A  75
LEU A 102
THR A  98
 None
 1.30A 4o5fA-3tefA:
2.6
4o5fB-3tefA:
2.0		 4o5fA-3tefA:
22.44
4o5fB-3tefA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqi GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Coxiella
burnetii) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		5 LEU A 390
GLY A 387
THR A 210
ILE A 213
LEU A 378
 None
 1.15A 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 VAL A 243
TYR A 333
LEU A  12
ARG A 241
ILE A  29
THR A  46
 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 VAL A  57
GLY A 112
ILE A  41
LEU A  67
THR A 138
 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 VAL A 347
GLY A 333
THR A 302
LEU A 287
THR A  90
 None
 1.29A 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.
4a3r ENOLASE

(Bacillus
subtilis) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 LEU A 112
THR A 376
ILE A 380
GLN A  87
THR A 349
 None
 1.17A 4o5fA-4a3rA:
undetectable
4o5fB-4a3rA:
undetectable		 4o5fA-4a3rA:
20.79
4o5fB-4a3rA:
20.79
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.
4ewj ENOLASE 2

(Streptococcus
suis) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 LEU A 112
THR A 381
ILE A 385
GLN A  87
THR A 354
 None
 1.12A 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.
4grh AMINODEOXYCHORISMATE
SYNTHASE

(Stenotrophomonas
maltophilia) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 VAL A 351
LEU A  75
GLY A 354
THR A 360
LEU A 402
 None
 1.28A 4o5fA-4grhA:
undetectable
4o5fB-4grhA:
undetectable		 4o5fA-4grhA:
22.83
4o5fB-4grhA:
22.83
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.
4i6v AMIDOHYDROLASE 2

(Planctopirus
limnophila) 		PF02614
(UxaC) 		5 VAL A 297
LEU A 217
ILE A 316
GLN A 301
LEU A 299
 None
 1.30A 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 454
GLY A 453
THR A 447
LEU A 421
THR A 397
 None
 1.13A 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 VAL A  18
LEU A 289
GLY A 164
ASP A 166
LEU A 137
 FAD  A 601 ( 4.9A)
None
None
FAD  A 601 (-4.7A)
None
 1.28A 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 ASN A 408
LEU A 317
GLY A 318
THR A 436
THR A 393
 None
 1.15A 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 VAL A 629
LEU A 671
THR A 635
ILE A 639
LEU A 658
 None
 1.24A 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 ASN B 380
GLY B 153
THR B 146
ILE B 167
LEU B 181
 None
 1.13A 4o5fA-4l27B:
undetectable
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.
4m7g TRYPSIN-LIKE
PROTEASE

(Saccharopolyspora
erythraea) 		PF00089
(Trypsin) 		5 VAL A  16
GLY A  28
ILE A  52
LEU A  92
THR A  44
 None
 1.27A 4o5fA-4m7gA:
undetectable
4o5fB-4m7gA:
undetectable		 4o5fA-4m7gA:
21.21
4o5fB-4m7gA:
21.21
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.
4mx3 CAMP-DEPENDENT
PROTEIN KINASE TYPE
I-ALPHA REGULATORY
SUBUNIT

(Bos taurus) 		PF00027
(cNMP_binding) 		5 ASN A 133
VAL A 174
GLY A 223
ILE A 147
LEU A 233
 None
 1.02A 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)
 0.00A 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.
4p6q MSX2-INTERACTING
PROTEIN

(Homo sapiens) 		PF00076
(RRM_1) 		5 VAL A 546
TYR A 540
ILE A 577
LEU A 521
THR A 572
 None
 1.29A 4o5fA-4p6qA:
undetectable
4o5fB-4p6qA:
undetectable		 4o5fA-4p6qA:
18.71
4o5fB-4p6qA:
18.71
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.
4r01 PUTATIVE NADH-FLAVIN
REDUCTASE

(Streptococcus
pneumoniae) 		PF13460
(NAD_binding_10) 		5 TYR A 186
LEU A 190
THR A 146
ILE A 204
LEU A 166
 None
 1.27A 4o5fA-4r01A:
2.4
4o5fB-4r01A:
2.6		 4o5fA-4r01A:
21.45
4o5fB-4r01A:
21.45
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		5 VAL A 583
GLY A 569
THR A 608
ILE A 598
LEU A 557
 None
 1.28A 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.
4wbo RHODOPSIN KINASE

(Bos taurus) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 LEU A 427
GLY A 376
THR A 295
ILE A 298
LEU A 315
 None
 1.18A 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 TYR A 341
GLY A 352
ILE A 369
GLN A 357
LEU A 361
 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.
4x9q SUPEROXIDE DISMUTASE
[MN] 2,
MITOCHONDRIAL

(Caenorhabditis
elegans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 LEU A 151
GLY A 126
THR A  95
ILE A  96
LEU A 106
 None
 1.19A 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 VAL A 359
TYR A 429
GLY A 361
ILE A 306
LEU A 350
 None
 1.04A 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.
4zlg PUTATIVE B-GLYCAN
PHOSPHORYLASE

(Saccharophagus
degradans) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 VAL A 484
ASP A 458
ARG A 457
ILE A 522
THR A 492
 None
 1.25A 4o5fA-4zlgA:
undetectable
4o5fB-4zlgA:
undetectable		 4o5fA-4zlgA:
16.08
4o5fB-4zlgA:
16.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aff SYMPORTIN 1

(Chaetomium
thermophilum) 		no annotation 5 VAL A  62
LEU A 100
ILE A  79
LEU A  43
THR A  84
 None
 1.13A 4o5fA-5affA:
undetectable
4o5fB-5affA:
undetectable		 4o5fA-5affA:
19.91
4o5fB-5affA:
19.91
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)
 0.14A 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 ASN B 263
GLY B 288
THR B 313
ILE B 304
GLN B 243
 None
 1.24A 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 VAL A 290
GLY A 298
ASP A 294
ILE A 179
THR A 302
 None
 1.28A 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
 1.27A 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 VAL A1083
GLY A1060
ARG A1062
THR A1038
GLN A1073
 None
SO4  A1201 ( 4.0A)
None
None
None
 1.26A 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.
5erb POLYKETIDE SYNTHASE

(Bacillus
amyloliquefaciens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A 251
THR A 105
ILE A  14
LEU A  24
THR A 369
 None
 1.29A 4o5fA-5erbA:
undetectable
4o5fB-5erbA:
undetectable		 4o5fA-5erbA:
19.97
4o5fB-5erbA:
19.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fl7 ATP SYNTHASE SUBUNIT
BETA

(Yarrowia
lipolytica) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 VAL D 172
LEU D 462
GLY D 168
ASP D 173
ILE D 205
 None
 1.31A 4o5fA-5fl7D:
undetectable
4o5fB-5fl7D:
undetectable		 4o5fA-5fl7D:
22.76
4o5fB-5fl7D:
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.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis) 		PF14592
(Chondroitinas_B) 		5 LEU A  79
GLY A  78
THR A  50
ILE A  75
GLN A 109
 None
 1.24A 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 VAL A 529
LEU A 481
GLY A 480
ILE A 467
LEU A 510
 EDO  A1016 ( 4.9A)
EDO  A1009 ( 3.5A)
EDO  A1011 (-3.2A)
None
None
 1.19A 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 ASN B 294
GLY B 346
ASP B 321
GLN A 185
THR B 179
 None
GCP  B 401 (-3.4A)
GCP  B 401 (-3.2A)
GCP  B 401 ( 3.6A)
GCP  B 401 (-3.6A)
 1.19A 4o5fA-5l3rB:
undetectable
4o5fB-5l3rB:
undetectable		 4o5fA-5l3rB:
22.15
4o5fB-5l3rB:
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.
5nkz UBIQUITIN-CONJUGATIN
G ENZYME E2-21 KDA

(Ogataea angusta) 		no annotation 5 VAL A  15
TYR A  71
ILE A  65
GLN A 134
LEU A 137
 None
 1.23A 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.
5ocm NAD_GLY3P_DH,
NAD-DEPENDENT
GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Streptosporangium
roseum) 		no annotation 5 VAL A  76
TYR A 114
LEU A  89
THR A  93
THR A 103
 NAP  A 301 (-4.9A)
None
None
NAP  A 301 ( 4.3A)
None
 1.29A 4o5fA-5ocmA:
undetectable
4o5fB-5ocmA:
undetectable		 4o5fA-5ocmA:
undetectable
4o5fB-5ocmA:
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 5 113
GLY 5 116
ASP 5 307
ILE 5 314
LEU 5 121
 None
 1.20A 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.
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
 1.30A 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 LEU A1528
GLY A1507
THR A1550
ILE A1517
GLN A1510
 None
 1.04A 4o5fA-5u1sA:
2.4
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.
5usx THIOREDOXIN
REDUCTASE

(Vibrio
vulnificus) 		PF07992
(Pyr_redox_2) 		5 LEU A  97
THR A 113
ILE A 111
GLN A 255
LEU A 256
 None
FAD  A 402 (-4.1A)
None
None
None
 1.27A 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 GLY A  61
ASP A  60
ARG A 173
ILE A 144
LEU A 134
 None
 1.29A 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
 1.25A 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 VAL D 315
TYR D 152
GLY D 159
ILE D 171
LEU D 340
 None
 1.16A 4o5fA-6f5dD:
undetectable
4o5fB-6f5dD:
undetectable		 4o5fA-6f5dD:
undetectable
4o5fB-6f5dD:
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.
6ged PRGB

(Enterococcus
faecalis) 		no annotation 5 VAL A 355
LEU A 416
ILE A 402
LEU A 347
THR A 414
 None
 1.30A 4o5fA-6gedA:
undetectable
4o5fB-6gedA:
undetectable		 4o5fA-6gedA:
undetectable
4o5fB-6gedA:
undetectable