SIMILAR PATTERNS OF AMINO ACIDS FOR 5B1B_C_CHDC307

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.
1h2b ALCOHOL
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 THR A 172
TRP A  65
HIS A  59
LEU A 315
 NAJ  A1361 (-3.4A)
None
NAJ  A1361 (-3.9A)
None
 1.09A 5b1bA-1h2bA:
0.0
5b1bC-1h2bA:
0.0
5b1bP-1h2bA:
0.0		 5b1bA-1h2bA:
21.42
5b1bC-1h2bA:
19.62
5b1bP-1h2bA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h4p GLUCAN
1,3-BETA-GLUCOSIDASE
I/II

(Saccharomyces
cerevisiae) 		PF00150
(Cellulase) 		4 ASP A 246
TYR A 247
HIS A 328
LEU A 196
 None
None
GOL  A1449 ( 4.1A)
None
 1.14A 5b1bA-1h4pA:
0.0
5b1bC-1h4pA:
undetectable
5b1bP-1h4pA:
undetectable		 5b1bA-1h4pA:
21.08
5b1bC-1h4pA:
18.60
5b1bP-1h4pA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ikf IGG1-KAPPA R45-45-11
FAB (HEAVY CHAIN)

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASP H 103
THR H 104
TYR H 109
LEU H 101
 None
 1.10A 5b1bA-1ikfH:
undetectable
5b1bC-1ikfH:
undetectable
5b1bP-1ikfH:
undetectable		 5b1bA-1ikfH:
17.73
5b1bC-1ikfH:
21.91
5b1bP-1ikfH:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juh QUERCETIN
2,3-DIOXYGENASE

(Aspergillus
japonicus) 		no annotation 4 HIS A  21
THR A 124
TYR A  76
LEU A 251
 None
 1.05A 5b1bA-1juhA:
undetectable
5b1bC-1juhA:
undetectable
5b1bP-1juhA:
undetectable		 5b1bA-1juhA:
20.45
5b1bC-1juhA:
21.41
5b1bP-1juhA:
21.41
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.
1lur ALDOSE 1-EPIMERASE

(Caenorhabditis
elegans) 		PF01263
(Aldose_epim) 		4 HIS A1163
ASP A1276
TYR A1285
HIS A1092
 None
 0.94A 5b1bA-1lurA:
undetectable
5b1bC-1lurA:
undetectable
5b1bP-1lurA:
undetectable		 5b1bA-1lurA:
21.01
5b1bC-1lurA:
21.68
5b1bP-1lurA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ndf CARNITINE
ACETYLTRANSFERASE

(Mus musculus) 		PF00755
(Carn_acyltransf) 		4 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 1.12A 5b1bA-1ndfA:
undetectable
5b1bC-1ndfA:
1.3
5b1bP-1ndfA:
1.3		 5b1bA-1ndfA:
20.15
5b1bC-1ndfA:
17.22
5b1bP-1ndfA:
17.22
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.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.15A 5b1bA-1nj1A:
0.0
5b1bC-1nj1A:
undetectable
5b1bP-1nj1A:
undetectable		 5b1bA-1nj1A:
20.07
5b1bC-1nj1A:
18.34
5b1bP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ofm CHONDROITINASE B

(Pedobacter
heparinus) 		PF14592
(Chondroitinas_B) 		4 TRP A 102
THR A 168
TRP A 474
LEU A 484
 None
 0.92A 5b1bA-1ofmA:
undetectable
5b1bC-1ofmA:
undetectable
5b1bP-1ofmA:
undetectable		 5b1bA-1ofmA:
20.00
5b1bC-1ofmA:
17.28
5b1bP-1ofmA:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p16 MRNA CAPPING ENZYME
ALPHA SUBUNIT

(Candida
albicans) 		PF01331
(mRNA_cap_enzyme)
PF03919
(mRNA_cap_C) 		4 THR A 116
TYR A 117
HIS A 180
LEU A  77
 None
 1.04A 5b1bA-1p16A:
undetectable
5b1bC-1p16A:
undetectable
5b1bP-1p16A:
undetectable		 5b1bA-1p16A:
20.40
5b1bC-1p16A:
20.60
5b1bP-1p16A:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pxt PEROXISOMAL
3-KETOACYL-COA
THIOLASE

(Saccharomyces
cerevisiae) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ASP A 134
THR A 130
HIS A 375
LEU A 285
 None
 1.15A 5b1bA-1pxtA:
0.0
5b1bC-1pxtA:
undetectable
5b1bP-1pxtA:
undetectable		 5b1bA-1pxtA:
22.37
5b1bC-1pxtA:
18.53
5b1bP-1pxtA:
18.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA
CYTOCHROME C OXIDASE
POLYPEPTIDE III

(Paracoccus
denitrificans;
Paracoccus
denitrificans) 		PF00115
(COX1)
PF00510
(COX3) 		4 HIS A 269
TRP A 323
TYR A 339
TRP C 106
 PC1  C 301 ( 4.2A)
None
PC1  C 301 (-3.3A)
PC1  C 301 (-4.4A)
 0.59A 5b1bA-1qleA:
54.3
5b1bC-1qleA:
2.7
5b1bP-1qleA:
2.7		 5b1bA-1qleA:
53.19
5b1bC-1qleA:
20.59
5b1bP-1qleA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		4 TRP A  30
THR A  67
TYR A  93
LEU A  95
 None
 1.12A 5b1bA-1r8yA:
undetectable
5b1bC-1r8yA:
0.0
5b1bP-1r8yA:
0.0		 5b1bA-1r8yA:
21.10
5b1bC-1r8yA:
19.94
5b1bP-1r8yA:
19.94
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.
1uli BIPHENYL DIOXYGENASE
LARGE SUBUNIT

(Rhodococcus
jostii) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 ASP A  40
THR A  39
TYR A  38
LEU A  25
 None
 1.07A 5b1bA-1uliA:
undetectable
5b1bC-1uliA:
undetectable
5b1bP-1uliA:
0.0		 5b1bA-1uliA:
20.04
5b1bC-1uliA:
19.61
5b1bP-1uliA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uok OLIGO-1,6-GLUCOSIDAS
E

(Bacillus cereus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ASP A 381
TYR A 383
HIS A 429
LEU A 389
 None
 1.14A 5b1bA-1uokA:
undetectable
5b1bC-1uokA:
0.0
5b1bP-1uokA:
0.0		 5b1bA-1uokA:
19.97
5b1bC-1uokA:
17.17
5b1bP-1uokA:
17.17
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.
1vbc POLIOVIRUS TYPE 3

(Enterovirus C) 		PF00073
(Rhv) 		4 HIS 3  97
ASP 3 227
THR 3 228
LEU 3 225
 None
 0.97A 5b1bA-1vbc3:
undetectable
5b1bC-1vbc3:
undetectable
5b1bP-1vbc3:
undetectable		 5b1bA-1vbc3:
18.30
5b1bC-1vbc3:
22.66
5b1bP-1vbc3:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vel STARVATION-INDUCED
DNA PROTECTING
PROTEIN

(Mycolicibacterium
smegmatis) 		PF00210
(Ferritin) 		4 ASP A  30
THR A  27
TYR A  28
LEU A  35
 None
 1.09A 5b1bA-1velA:
3.5
5b1bC-1velA:
5.5
5b1bP-1velA:
5.5		 5b1bA-1velA:
17.45
5b1bC-1velA:
17.80
5b1bP-1velA:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vkn N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Thermotoga
maritima) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 HIS A 285
ASP A 327
THR A 329
HIS A 267
 None
 1.12A 5b1bA-1vknA:
undetectable
5b1bC-1vknA:
undetectable
5b1bP-1vknA:
undetectable		 5b1bA-1vknA:
21.35
5b1bC-1vknA:
22.71
5b1bP-1vknA:
22.71
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.
1xfd DIPEPTIDYL
AMINOPEPTIDASE-LIKE
PROTEIN 6

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ASP A 712
TYR A 716
TRP A 429
HIS A 431
 None
 1.08A 5b1bA-1xfdA:
undetectable
5b1bC-1xfdA:
undetectable
5b1bP-1xfdA:
undetectable		 5b1bA-1xfdA:
19.95
5b1bC-1xfdA:
15.42
5b1bP-1xfdA:
15.42
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.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 HIS A 973
TYR A  98
HIS A 975
LEU A 205
 None
 1.17A 5b1bA-1yq2A:
undetectable
5b1bC-1yq2A:
undetectable
5b1bP-1yq2A:
undetectable		 5b1bA-1yq2A:
18.96
5b1bC-1yq2A:
13.83
5b1bP-1yq2A:
13.83
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.
1yzw GFP-LIKE
NON-FLUORESCENT
CHROMOPROTEIN

(Heteractis
crispa) 		PF01353
(GFP) 		4 THR A  19
TYR A  24
HIS A 106
LEU A  52
 None
 1.18A 5b1bA-1yzwA:
undetectable
5b1bC-1yzwA:
undetectable
5b1bP-1yzwA:
undetectable		 5b1bA-1yzwA:
17.64
5b1bC-1yzwA:
19.42
5b1bP-1yzwA:
19.42
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.
1z7z HUMAN COXSACKIEVIRUS
A21

(Enterovirus C) 		PF00073
(Rhv) 		4 HIS 3  96
ASP 3 226
THR 3 227
LEU 3 224
 None
 0.92A 5b1bA-1z7z3:
undetectable
5b1bC-1z7z3:
undetectable
5b1bP-1z7z3:
undetectable		 5b1bA-1z7z3:
17.82
5b1bC-1z7z3:
23.67
5b1bP-1z7z3:
23.67
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.
1zoi ESTERASE

(Pseudomonas
putida) 		PF00561
(Abhydrolase_1) 		4 ASP A 207
THR A 206
HIS A  74
LEU A 212
 None
 1.13A 5b1bA-1zoiA:
undetectable
5b1bC-1zoiA:
undetectable
5b1bP-1zoiA:
undetectable		 5b1bA-1zoiA:
20.21
5b1bC-1zoiA:
20.86
5b1bP-1zoiA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zzh CYTOCHROME C
PEROXIDASE

(Rhodobacter
capsulatus) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		4 HIS A 264
ASP A 243
THR A 241
TRP A  97
 ZN  A 402 ( 3.6A)
None
None
None
 1.08A 5b1bA-1zzhA:
undetectable
5b1bC-1zzhA:
undetectable
5b1bP-1zzhA:
undetectable		 5b1bA-1zzhA:
20.08
5b1bC-1zzhA:
21.13
5b1bP-1zzhA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b2x ANTIBODY AQC2 FAB
ANTIBODY AQC2 FAB

(Mus musculus;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		4 THR H  33
TYR H  32
TRP L  90
LEU H   4
 None
 1.18A 5b1bA-2b2xH:
undetectable
5b1bC-2b2xH:
undetectable
5b1bP-2b2xH:
undetectable		 5b1bA-2b2xH:
16.86
5b1bC-2b2xH:
22.43
5b1bP-2b2xH:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cgj L-RHAMNULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 THR A 107
TYR A 138
TRP A 260
LEU A 140
 None
None
LFR  A1481 (-4.1A)
None
 1.10A 5b1bA-2cgjA:
undetectable
5b1bC-2cgjA:
undetectable
5b1bP-2cgjA:
undetectable		 5b1bA-2cgjA:
22.18
5b1bC-2cgjA:
19.22
5b1bP-2cgjA:
19.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		5 HIS A 233
TRP A 288
ASP A 300
THR A 301
TYR A 304
 None
 0.00A 5b1bA-2eijA:
66.2
5b1bC-2eijA:
2.3
5b1bP-2eijA:
2.3		 5b1bA-2eijA:
100.00
5b1bC-2eijA:
21.00
5b1bP-2eijA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hls PROTEIN DISULFIDE
OXIDOREDUCTASE

(Aeropyrum
pernix) 		PF13192
(Thioredoxin_3) 		4 ASP A  44
THR A  45
HIS A 161
LEU A   9
 None
 1.16A 5b1bA-2hlsA:
undetectable
5b1bC-2hlsA:
undetectable
5b1bP-2hlsA:
undetectable		 5b1bA-2hlsA:
18.71
5b1bC-2hlsA:
21.68
5b1bP-2hlsA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2irw CORTICOSTEROID
11-BETA-DEHYDROGENAS
E ISOZYME 1

(Homo sapiens) 		PF00106
(adh_short) 		4 ASP A 259
THR A 265
TYR A 257
LEU A 215
 None
None
None
NAP  A 901 (-4.1A)
 0.97A 5b1bA-2irwA:
undetectable
5b1bC-2irwA:
undetectable
5b1bP-2irwA:
undetectable		 5b1bA-2irwA:
18.68
5b1bC-2irwA:
18.75
5b1bP-2irwA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2joi HYPOTHETICAL PROTEIN
TA0095

(Thermoplasma
acidophilum) 		no annotation 4 ASP A  98
THR A  95
TYR A  96
LEU A 103
 None
 1.07A 5b1bA-2joiA:
undetectable
5b1bC-2joiA:
undetectable
5b1bP-2joiA:
undetectable		 5b1bA-2joiA:
11.93
5b1bC-2joiA:
17.11
5b1bP-2joiA:
17.11
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.
2oaa R.MVAI

(Kocuria varians) 		PF15515
(MvaI_BcnI) 		4 ASP A  37
THR A  34
TRP A  20
LEU A  39
 None
 1.11A 5b1bA-2oaaA:
undetectable
5b1bC-2oaaA:
undetectable
5b1bP-2oaaA:
undetectable		 5b1bA-2oaaA:
17.83
5b1bC-2oaaA:
20.00
5b1bP-2oaaA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oze ORF DELTA'

(Streptococcus
pyogenes) 		PF13614
(AAA_31) 		4 TRP A 260
ASP A  62
HIS A 268
LEU A  64
 None
 1.16A 5b1bA-2ozeA:
undetectable
5b1bC-2ozeA:
undetectable
5b1bP-2ozeA:
undetectable		 5b1bA-2ozeA:
18.92
5b1bC-2ozeA:
19.29
5b1bP-2ozeA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pl5 HOMOSERINE
O-ACETYLTRANSFERASE

(Leptospira
interrogans) 		PF00561
(Abhydrolase_1) 		4 ASP A  86
THR A  87
HIS A  60
LEU A 362
 None
 0.94A 5b1bA-2pl5A:
undetectable
5b1bC-2pl5A:
undetectable
5b1bP-2pl5A:
undetectable		 5b1bA-2pl5A:
21.46
5b1bC-2pl5A:
22.13
5b1bP-2pl5A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qgq PROTEIN TM_1862

(Thermotoga
maritima) 		PF04055
(Radical_SAM) 		4 ASP A 193
THR A 194
TYR A 197
LEU A 164
 None
 1.15A 5b1bA-2qgqA:
undetectable
5b1bC-2qgqA:
undetectable
5b1bP-2qgqA:
undetectable		 5b1bA-2qgqA:
17.72
5b1bC-2qgqA:
19.74
5b1bP-2qgqA:
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.
2va8 SKI2-TYPE HELICASE

(Sulfolobus
solfataricus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 TRP A 135
THR A 120
HIS A 131
LEU A 144
 None
 1.14A 5b1bA-2va8A:
3.1
5b1bC-2va8A:
undetectable
5b1bP-2va8A:
undetectable		 5b1bA-2va8A:
21.94
5b1bC-2va8A:
17.32
5b1bP-2va8A:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE

(Acremonium
chrysogenum) 		PF00561
(Abhydrolase_1) 		4 HIS A  57
ASP A 290
HIS A 154
LEU A 214
 None
 1.16A 5b1bA-2vatA:
undetectable
5b1bC-2vatA:
undetectable
5b1bP-2vatA:
undetectable		 5b1bA-2vatA:
21.62
5b1bC-2vatA:
20.27
5b1bP-2vatA:
20.27
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.
2vob TRYPANOTHIONE
SYNTHETASE

(Leishmania
major) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		4 ASP A 466
THR A 465
TYR A 468
LEU A 493
 None
 0.87A 5b1bA-2vobA:
undetectable
5b1bC-2vobA:
undetectable
5b1bP-2vobA:
undetectable		 5b1bA-2vobA:
21.23
5b1bC-2vobA:
15.17
5b1bP-2vobA:
15.17
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.
3dqp OXIDOREDUCTASE YLBE

(Lactococcus
lactis) 		PF13460
(NAD_binding_10) 		4 ASP A 179
THR A 180
HIS A 189
LEU A  16
 None
 1.02A 5b1bA-3dqpA:
undetectable
5b1bC-3dqpA:
undetectable
5b1bP-3dqpA:
undetectable		 5b1bA-3dqpA:
17.95
5b1bC-3dqpA:
20.86
5b1bP-3dqpA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e0j DNA POLYMERASE
SUBUNIT DELTA-2

(Homo sapiens) 		PF04042
(DNA_pol_E_B) 		4 HIS A  72
TRP A  73
ASP A 149
LEU A 133
 None
 0.92A 5b1bA-3e0jA:
undetectable
5b1bC-3e0jA:
undetectable
5b1bP-3e0jA:
undetectable		 5b1bA-3e0jA:
22.05
5b1bC-3e0jA:
18.12
5b1bP-3e0jA:
18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ec7 PUTATIVE
DEHYDROGENASE

(Salmonella
enterica) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.12A 5b1bA-3ec7A:
undetectable
5b1bC-3ec7A:
undetectable
5b1bP-3ec7A:
undetectable		 5b1bA-3ec7A:
20.73
5b1bC-3ec7A:
19.29
5b1bP-3ec7A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ecn HIGH AFFINITY
CAMP-SPECIFIC AND
IBMX-INSENSITIVE
3',5'-CYCLIC
PHOSPHODIESTERASE 8A

(Homo sapiens) 		PF00233
(PDEase_I) 		4 ASP A 621
TYR A 619
HIS A 676
LEU A 608
 None
 1.19A 5b1bA-3ecnA:
undetectable
5b1bC-3ecnA:
undetectable
5b1bP-3ecnA:
undetectable		 5b1bA-3ecnA:
18.32
5b1bC-3ecnA:
21.49
5b1bP-3ecnA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 ASP A  38
THR A  37
TYR A  36
LEU A  23
 None
 1.08A 5b1bA-3eqqA:
undetectable
5b1bC-3eqqA:
undetectable
5b1bP-3eqqA:
undetectable		 5b1bA-3eqqA:
21.73
5b1bC-3eqqA:
18.97
5b1bP-3eqqA:
18.97
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.
3ffv PROTEIN SYD

(Escherichia
coli) 		PF07348
(Syd) 		4 THR A  13
TYR A  16
TRP A 104
LEU A 177
 None
 1.15A 5b1bA-3ffvA:
undetectable
5b1bC-3ffvA:
undetectable
5b1bP-3ffvA:
undetectable		 5b1bA-3ffvA:
14.12
5b1bC-3ffvA:
20.00
5b1bP-3ffvA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h2s PUTATIVE NADH-FLAVIN
REDUCTASE

(Lactobacillus
paracasei) 		PF13460
(NAD_binding_10) 		4 ASP A  64
THR A  98
HIS A  88
LEU A 200
 None
 1.02A 5b1bA-3h2sA:
undetectable
5b1bC-3h2sA:
undetectable
5b1bP-3h2sA:
undetectable		 5b1bA-3h2sA:
17.81
5b1bC-3h2sA:
22.46
5b1bP-3h2sA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i1i HOMOSERINE
O-ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00561
(Abhydrolase_1) 		4 ASP A  79
THR A  80
HIS A  53
LEU A 366
 None
 0.94A 5b1bA-3i1iA:
undetectable
5b1bC-3i1iA:
undetectable
5b1bP-3i1iA:
undetectable		 5b1bA-3i1iA:
19.42
5b1bC-3i1iA:
20.51
5b1bP-3i1iA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3izy TRANSLATION
INITIATION FACTOR
IF-2, MITOCHONDRIAL

(Bos taurus) 		PF00009
(GTP_EFTU)
PF11987
(IF-2) 		4 HIS P 238
ASP P 198
THR P 194
LEU P 326
 None
 1.13A 5b1bA-3izyP:
undetectable
5b1bC-3izyP:
undetectable
5b1bP-3izyP:
undetectable		 5b1bA-3izyP:
21.85
5b1bC-3izyP:
18.22
5b1bP-3izyP:
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF11

(Schizosaccharomyces
pombe) 		PF13087
(AAA_12)
PF16399
(Aquarius_N) 		4 ASP X 714
THR X 701
TYR X 700
LEU X 690
 None
 1.11A 5b1bA-3jb9X:
undetectable
5b1bC-3jb9X:
undetectable
5b1bP-3jb9X:
undetectable		 5b1bA-3jb9X:
16.83
5b1bC-3jb9X:
11.15
5b1bP-3jb9X:
11.15
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.
3jd5 28S RIBOSOMAL
PROTEIN S34,
MITOCHONDRIAL

(Bos taurus) 		PF00338
(Ribosomal_S10) 		4 TRP j  85
TYR j 203
TRP j 139
HIS j 136
 None
None
None
U  A  59 ( 3.4A)
 1.12A 5b1bA-3jd5j:
undetectable
5b1bC-3jd5j:
undetectable
5b1bP-3jd5j:
undetectable		 5b1bA-3jd5j:
15.59
5b1bC-3jd5j:
18.80
5b1bP-3jd5j:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jru PROBABLE CYTOSOL
AMINOPEPTIDASE

(Xanthomonas
oryzae) 		no annotation 4 TRP B 126
ASP B 136
THR B 133
LEU B 159
 None
 1.09A 5b1bA-3jruB:
undetectable
5b1bC-3jruB:
undetectable
5b1bP-3jruB:
undetectable		 5b1bA-3jruB:
22.30
5b1bC-3jruB:
21.27
5b1bP-3jruB:
21.27
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.
3ldh LACTATE
DEHYDROGENASE

(Squalus
acanthias) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ASP A 144
THR A 143
TRP A 231
LEU A 112
 None
 1.09A 5b1bA-3ldhA:
undetectable
5b1bC-3ldhA:
undetectable
5b1bP-3ldhA:
undetectable		 5b1bA-3ldhA:
21.37
5b1bC-3ldhA:
19.24
5b1bP-3ldhA:
19.24
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.
3lv4 GLYCOSIDE HYDROLASE
YXIA

(Bacillus
licheniformis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 HIS A 365
TYR A 384
HIS A 350
LEU A 429
 None
 1.02A 5b1bA-3lv4A:
undetectable
5b1bC-3lv4A:
undetectable
5b1bP-3lv4A:
undetectable		 5b1bA-3lv4A:
22.18
5b1bC-3lv4A:
20.65
5b1bP-3lv4A:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF03212
(Pertactin) 		4 ASP A 662
THR A 634
TYR A 635
LEU A 648
 None
 1.14A 5b1bA-3ml3A:
undetectable
5b1bC-3ml3A:
undetectable
5b1bP-3ml3A:
undetectable		 5b1bA-3ml3A:
18.96
5b1bC-3ml3A:
21.48
5b1bP-3ml3A:
21.48
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.
3ni8 PFC0360W PROTEIN

(Plasmodium
falciparum) 		PF08327
(AHSA1) 		4 ASP A  40
THR A  39
HIS A  81
LEU A  47
 None
 1.15A 5b1bA-3ni8A:
undetectable
5b1bC-3ni8A:
undetectable
5b1bP-3ni8A:
undetectable		 5b1bA-3ni8A:
13.13
5b1bC-3ni8A:
19.47
5b1bP-3ni8A:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ox4 ALCOHOL
DEHYDROGENASE 2

(Zymomonas
mobilis) 		PF00465
(Fe-ADH) 		4 HIS A 198
THR A 147
HIS A 277
LEU A 133
 FE2  A 501 (-3.3A)
None
NAD  A1385 ( 3.6A)
None
 1.15A 5b1bA-3ox4A:
undetectable
5b1bC-3ox4A:
2.3
5b1bP-3ox4A:
2.3		 5b1bA-3ox4A:
21.52
5b1bC-3ox4A:
20.96
5b1bP-3ox4A:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qbw ANHYDRO-N-ACETYLMURA
MIC ACID KINASE

(Pseudomonas
aeruginosa) 		PF03702
(AnmK) 		4 HIS A 147
ASP A 316
THR A 315
TYR A 318
 None
 1.19A 5b1bA-3qbwA:
undetectable
5b1bC-3qbwA:
undetectable
5b1bP-3qbwA:
undetectable		 5b1bA-3qbwA:
21.43
5b1bC-3qbwA:
21.66
5b1bP-3qbwA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qk7 TRANSCRIPTIONAL
REGULATORS

(Yersinia pestis) 		PF00532
(Peripla_BP_1) 		4 ASP A   7
THR A   6
HIS A  59
LEU A 258
 None
 1.16A 5b1bA-3qk7A:
undetectable
5b1bC-3qk7A:
undetectable
5b1bP-3qk7A:
undetectable		 5b1bA-3qk7A:
20.19
5b1bC-3qk7A:
20.26
5b1bP-3qk7A:
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.
3tzg HYPOTHETICAL PROTEIN
BVU_2266

(Bacteroides
vulgatus) 		no annotation 4 ASP A 125
THR A 126
HIS A 175
LEU A 215
 None
 1.00A 5b1bA-3tzgA:
undetectable
5b1bC-3tzgA:
undetectable
5b1bP-3tzgA:
undetectable		 5b1bA-3tzgA:
17.11
5b1bC-3tzgA:
22.15
5b1bP-3tzgA:
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.
3ujz METALLOPROTEASE STCE

(Escherichia
coli) 		PF10462
(Peptidase_M66) 		4 HIS A 511
ASP A 128
THR A 129
LEU A 126
 None
 1.14A 5b1bA-3ujzA:
undetectable
5b1bC-3ujzA:
undetectable
5b1bP-3ujzA:
undetectable		 5b1bA-3ujzA:
19.55
5b1bC-3ujzA:
13.39
5b1bP-3ujzA:
13.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v71 PUF (PUMILIO/FBF)
DOMAIN-CONTAINING
PROTEIN 7, CONFIRMED
BY TRANSCRIPT
EVIDENCE

(Caenorhabditis
elegans) 		PF00806
(PUF) 		4 HIS A 282
ASP A 324
THR A 321
LEU A 327
 None
 1.02A 5b1bA-3v71A:
undetectable
5b1bC-3v71A:
undetectable
5b1bP-3v71A:
undetectable		 5b1bA-3v71A:
20.92
5b1bC-3v71A:
20.98
5b1bP-3v71A:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vsv XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum) 		PF13229
(Beta_helix) 		4 HIS A 493
ASP A 401
TYR A 422
LEU A 377
 None
 1.11A 5b1bA-3vsvA:
undetectable
5b1bC-3vsvA:
undetectable
5b1bP-3vsvA:
undetectable		 5b1bA-3vsvA:
21.22
5b1bC-3vsvA:
16.28
5b1bP-3vsvA:
16.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vvl HOMOSERINE
O-ACETYLTRANSFERASE

(Streptomyces
lavendulae) 		PF00561
(Abhydrolase_1) 		4 ASP A  82
THR A  83
HIS A  58
LEU A 370
 None
 0.89A 5b1bA-3vvlA:
0.6
5b1bC-3vvlA:
1.6
5b1bP-3vvlA:
1.6		 5b1bA-3vvlA:
19.38
5b1bC-3vvlA:
20.36
5b1bP-3vvlA:
20.36
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.
3ziz GH5
ENDO-BETA-1,4-MANNAN
ASE

(Podospora
anserina) 		PF00150
(Cellulase) 		4 ASP A 225
THR A 224
TRP A 114
LEU A 209
 None
None
TRS  A1352 ( 4.7A)
None
 1.19A 5b1bA-3zizA:
undetectable
5b1bC-3zizA:
undetectable
5b1bP-3zizA:
undetectable		 5b1bA-3zizA:
20.23
5b1bC-3zizA:
19.27
5b1bP-3zizA:
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.
4c2l ENDO-XYLOGALACTURONA
N HYDROLASE A

(Aspergillus
tubingensis) 		PF00295
(Glyco_hydro_28) 		4 ASP A  48
THR A  47
TYR A  75
LEU A  76
 None
 1.13A 5b1bA-4c2lA:
undetectable
5b1bC-4c2lA:
undetectable
5b1bP-4c2lA:
undetectable		 5b1bA-4c2lA:
20.85
5b1bC-4c2lA:
19.21
5b1bP-4c2lA:
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.
4dgq NON-HEME
CHLOROPEROXIDASE

(Burkholderia
cenocepacia) 		PF00561
(Abhydrolase_1) 		4 ASP A 207
THR A 206
HIS A  74
LEU A 212
 None
 1.09A 5b1bA-4dgqA:
undetectable
5b1bC-4dgqA:
undetectable
5b1bP-4dgqA:
undetectable		 5b1bA-4dgqA:
18.30
5b1bC-4dgqA:
20.20
5b1bP-4dgqA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4el8 GLYCOSIDE HYDROLASE
FAMILY 48

(Caldicellulosiruptor
bescii) 		PF02011
(Glyco_hydro_48) 		4 HIS A 191
ASP A 223
THR A 222
TYR A 221
 None
 1.08A 5b1bA-4el8A:
undetectable
5b1bC-4el8A:
undetectable
5b1bP-4el8A:
undetectable		 5b1bA-4el8A:
20.22
5b1bC-4el8A:
17.87
5b1bP-4el8A:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g0r CAPSID PROTEIN VP1

(Rodent
protoparvovirus
1) 		PF00740
(Parvo_coat) 		4 THR A 274
TYR A 275
HIS A  65
LEU A 184
 None
 1.11A 5b1bA-4g0rA:
undetectable
5b1bC-4g0rA:
undetectable
5b1bP-4g0rA:
undetectable		 5b1bA-4g0rA:
20.65
5b1bC-4g0rA:
16.97
5b1bP-4g0rA:
16.97
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.
4onq DNA
METHYLTRANSFERASE

(Nicotiana
tabacum) 		PF00145
(DNA_methylase) 		4 ASP A 465
THR A 466
TYR A 469
LEU A 348
 None
 0.89A 5b1bA-4onqA:
undetectable
5b1bC-4onqA:
undetectable
5b1bP-4onqA:
undetectable		 5b1bA-4onqA:
21.07
5b1bC-4onqA:
19.61
5b1bP-4onqA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		4 ASP A 122
THR A 121
HIS A 180
LEU A 128
 None
 1.10A 5b1bA-4r85A:
undetectable
5b1bC-4r85A:
undetectable
5b1bP-4r85A:
undetectable		 5b1bA-4r85A:
22.06
5b1bC-4r85A:
20.00
5b1bP-4r85A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r9v SIALYLTRANSFERASE
0160

(Photobacterium
damselae) 		PF11477
(PM0188) 		4 ASP A 229
THR A 199
TYR A 227
LEU A 123
 None
 1.13A 5b1bA-4r9vA:
undetectable
5b1bC-4r9vA:
undetectable
5b1bP-4r9vA:
undetectable		 5b1bA-4r9vA:
20.53
5b1bC-4r9vA:
21.52
5b1bP-4r9vA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ua3 UNCHARACTERIZED
N-ACETYLTRANSFERASE
C825.04C

(Schizosaccharomyces
pombe) 		PF00583
(Acetyltransf_1) 		4 ASP A 106
THR A 107
HIS A 174
LEU A  85
 None
 0.98A 5b1bA-4ua3A:
undetectable
5b1bC-4ua3A:
undetectable
5b1bP-4ua3A:
undetectable		 5b1bA-4ua3A:
16.40
5b1bC-4ua3A:
20.36
5b1bP-4ua3A:
20.36
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.
4xlt RESPONSE REGULATOR
RECEIVER PROTEIN

(Dyadobacter
fermentans) 		PF00072
(Response_reg) 		4 HIS A  41
ASP A  51
THR A  52
LEU A 123
 None
 1.11A 5b1bA-4xltA:
undetectable
5b1bC-4xltA:
undetectable
5b1bP-4xltA:
undetectable		 5b1bA-4xltA:
12.73
5b1bC-4xltA:
18.29
5b1bP-4xltA:
18.29
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.
4xly UNCHARACTERIZED
PROTEIN BLR2150

(Bradyrhizobium
diazoefficiens) 		no annotation 4 ASP A 132
THR A 133
TYR A 136
TRP A  14
 None
None
ECP  A 700 ( 4.9A)
None
 1.07A 5b1bA-4xlyA:
1.9
5b1bC-4xlyA:
3.8
5b1bP-4xlyA:
2.2		 5b1bA-4xlyA:
19.80
5b1bC-4xlyA:
19.42
5b1bP-4xlyA:
19.42
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.
4yoo RETINOBLASTOMA-LIKE
PROTEIN
1,RETINOBLASTOMA-LIK
E PROTEIN 1

(Homo sapiens) 		PF01857
(RB_B)
PF01858
(RB_A) 		4 HIS A 839
ASP A 805
HIS A 877
LEU A 810
 None
 1.11A 5b1bA-4yooA:
undetectable
5b1bC-4yooA:
2.4
5b1bP-4yooA:
2.4		 5b1bA-4yooA:
20.71
5b1bC-4yooA:
21.08
5b1bP-4yooA:
21.08
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.
5a8q PUTATIVE RETAINING
B-GLYCOSIDASE

(Saccharophagus
degradans) 		PF00150
(Cellulase) 		4 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.04A 5b1bA-5a8qA:
undetectable
5b1bC-5a8qA:
undetectable
5b1bP-5a8qA:
undetectable		 5b1bA-5a8qA:
22.09
5b1bC-5a8qA:
18.73
5b1bP-5a8qA:
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.
5ahv ENTH DOMAIN OF EPSIN
ENT1

(Saccharomyces
cerevisiae) 		PF01417
(ENTH) 		4 ASP E  81
THR E  78
HIS E  32
LEU E  83
 None
 1.19A 5b1bA-5ahvE:
undetectable
5b1bC-5ahvE:
undetectable
5b1bP-5ahvE:
undetectable		 5b1bA-5ahvE:
12.86
5b1bC-5ahvE:
18.08
5b1bP-5ahvE:
18.08
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		4 HIS A 199
ASP A 235
THR A 502
LEU A 239
 None
 1.14A 5b1bA-5az4A:
undetectable
5b1bC-5az4A:
undetectable
5b1bP-5az4A:
undetectable		 5b1bA-5az4A:
21.03
5b1bC-5az4A:
15.61
5b1bP-5az4A:
15.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		4 HIS A 199
ASP A 235
THR A 502
LEU A 620
 None
 1.04A 5b1bA-5az4A:
undetectable
5b1bC-5az4A:
undetectable
5b1bP-5az4A:
undetectable		 5b1bA-5az4A:
21.03
5b1bC-5az4A:
15.61
5b1bP-5az4A:
15.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Bacillus
pumilus) 		PF02011
(Glyco_hydro_48) 		4 HIS A  12
THR A  65
TYR A  64
LEU A 242
 None
 1.18A 5b1bA-5bv9A:
undetectable
5b1bC-5bv9A:
undetectable
5b1bP-5bv9A:
undetectable		 5b1bA-5bv9A:
20.55
5b1bC-5bv9A:
16.00
5b1bP-5bv9A:
16.00
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.
5gnx BETA-GLUCOSIDASE

(metagenome) 		PF00232
(Glyco_hydro_1) 		4 ASP A 177
TYR A 180
HIS A 206
LEU A 185
 None
 1.18A 5b1bA-5gnxA:
undetectable
5b1bC-5gnxA:
undetectable
5b1bP-5gnxA:
undetectable		 5b1bA-5gnxA:
20.29
5b1bC-5gnxA:
18.70
5b1bP-5gnxA:
18.70
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.
5gsl 778AA LONG
HYPOTHETICAL
BETA-GALACTOSIDASE

(Pyrococcus
horikoshii) 		PF02449
(Glyco_hydro_42) 		4 HIS A  61
THR A  54
TYR A  55
LEU A 382
 None
 1.11A 5b1bA-5gslA:
undetectable
5b1bC-5gslA:
undetectable
5b1bP-5gslA:
undetectable		 5b1bA-5gslA:
20.36
5b1bC-5gslA:
14.85
5b1bP-5gslA:
14.85
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.
5gx8 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Streptobacillus
moniliformis) 		PF13416
(SBP_bac_8) 		4 ASP A 282
THR A 281
TRP A 163
LEU A 218
 None
 1.11A 5b1bA-5gx8A:
3.3
5b1bC-5gx8A:
undetectable
5b1bP-5gx8A:
undetectable		 5b1bA-5gx8A:
20.36
5b1bC-5gx8A:
20.67
5b1bP-5gx8A:
20.67
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.
5iki CYTOCHROME P450(MEG)

(Bacillus
megaterium) 		PF00067
(p450) 		4 TRP A 318
ASP A  42
THR A  43
TRP A  25
 None
 1.16A 5b1bA-5ikiA:
undetectable
5b1bC-5ikiA:
undetectable
5b1bP-5ikiA:
undetectable		 5b1bA-5ikiA:
21.56
5b1bC-5ikiA:
19.57
5b1bP-5ikiA:
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.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		4 HIS A 386
ASP A 213
THR A 212
HIS A 388
 COH  A 602 (-3.7A)
None
COH  A 602 (-2.4A)
COH  A 602 (-3.3A)
 1.16A 5b1bA-5ikrA:
undetectable
5b1bC-5ikrA:
undetectable
5b1bP-5ikrA:
undetectable		 5b1bA-5ikrA:
21.04
5b1bC-5ikrA:
20.62
5b1bP-5ikrA:
20.62
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.
5irm UNCHARACTERIZED
PROTEIN

(Oryctolagus
cuniculus) 		PF05729
(NACHT)
PF13516
(LRR_6) 		4 ASP A 492
THR A 491
TYR A 494
LEU A 462
 None
 1.02A 5b1bA-5irmA:
undetectable
5b1bC-5irmA:
undetectable
5b1bP-5irmA:
undetectable		 5b1bA-5irmA:
20.45
5b1bC-5irmA:
15.38
5b1bP-5irmA:
15.38
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.
5jkj ESTERASE E22

(uncultured
bacterium) 		PF00561
(Abhydrolase_1) 		4 ASP A 102
THR A 103
HIS A  76
LEU A 391
 None
 1.05A 5b1bA-5jkjA:
undetectable
5b1bC-5jkjA:
undetectable
5b1bP-5jkjA:
undetectable		 5b1bA-5jkjA:
21.88
5b1bC-5jkjA:
20.47
5b1bP-5jkjA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jxl FLAGELLAR HOOK
PROTEIN FLGE

(Campylobacter
jejuni) 		PF00460
(Flg_bb_rod)
PF06429
(Flg_bbr_C)
PF07196
(Flagellin_IN)
PF07559
(FlaE) 		4 HIS A 198
ASP A 234
THR A 482
LEU A 238
 None
 1.13A 5b1bA-5jxlA:
1.5
5b1bC-5jxlA:
2.7
5b1bP-5jxlA:
undetectable		 5b1bA-5jxlA:
20.42
5b1bC-5jxlA:
15.73
5b1bP-5jxlA:
15.73
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.
5ke1 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF03212
(Pertactin)
PF12951
(PATR) 		4 ASP A 662
THR A 634
TYR A 635
LEU A 648
 None
 1.15A 5b1bA-5ke1A:
undetectable
5b1bC-5ke1A:
undetectable
5b1bP-5ke1A:
undetectable		 5b1bA-5ke1A:
21.41
5b1bC-5ke1A:
19.42
5b1bP-5ke1A:
19.42
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.
5n9m COBYRIC ACID
SYNTHASE

(Staphylococcus
aureus) 		no annotation 4 ASP A  19
TYR A  17
HIS A 155
LEU A  14
 None
 1.05A 5b1bA-5n9mA:
undetectable
5b1bC-5n9mA:
undetectable
5b1bP-5n9mA:
undetectable		 5b1bA-5n9mA:
undetectable
5b1bC-5n9mA:
undetectable
5b1bP-5n9mA:
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.
5nv8 EF-P ARGININE 32
RHAMNOSYL-TRANSFERAS
E

(Pseudomonas
putida) 		PF10093
(DUF2331) 		4 TRP A 345
ASP A 318
TRP A 338
LEU A 306
 None
 1.02A 5b1bA-5nv8A:
undetectable
5b1bC-5nv8A:
undetectable
5b1bP-5nv8A:
undetectable		 5b1bA-5nv8A:
20.56
5b1bC-5nv8A:
19.60
5b1bP-5nv8A:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nyw PROTEASOME SUBUNIT

(Yersinia
bercovieri) 		no annotation 4 THR A   1
TYR A   2
HIS A  34
LEU A 183
 None
 0.89A 5b1bA-5nywA:
undetectable
5b1bC-5nywA:
undetectable
5b1bP-5nywA:
undetectable		 5b1bA-5nywA:
18.50
5b1bC-5nywA:
22.76
5b1bP-5nywA:
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.
5oh6 INTERAPTIN

(Legionella
pneumophila) 		no annotation 4 HIS A  61
ASP A  47
THR A  46
TRP A  65
 None
 1.15A 5b1bA-5oh6A:
1.5
5b1bC-5oh6A:
2.1
5b1bP-5oh6A:
undetectable		 5b1bA-5oh6A:
16.89
5b1bC-5oh6A:
20.00
5b1bP-5oh6A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u7w APYRASE

(Trifolium
repens) 		PF01150
(GDA1_CD39) 		4 HIS A  21
THR A 138
TYR A 141
LEU A 194
 None
 0.90A 5b1bA-5u7wA:
undetectable
5b1bC-5u7wA:
undetectable
5b1bP-5u7wA:
undetectable		 5b1bA-5u7wA:
23.37
5b1bC-5u7wA:
20.60
5b1bP-5u7wA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ukh UNCHARACTERIZED
PROTEIN

(Streptococcus
intermedius) 		no annotation 4 ASP A 270
TYR A 271
HIS A 404
LEU A 253
 None
None
CA  A 601 ( 4.8A)
None
 1.00A 5b1bA-5ukhA:
undetectable
5b1bC-5ukhA:
undetectable
5b1bP-5ukhA:
undetectable		 5b1bA-5ukhA:
20.30
5b1bC-5ukhA:
19.51
5b1bP-5ukhA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5urb METHIONINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		4 ASP A 105
THR A 104
TYR A 107
HIS A  95
 None
 1.19A 5b1bA-5urbA:
2.3
5b1bC-5urbA:
3.4
5b1bP-5urbA:
3.4		 5b1bA-5urbA:
21.15
5b1bC-5urbA:
16.78
5b1bP-5urbA:
16.78
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.
5w8o HOMOSERINE
O-ACETYLTRANSFERASE

(Mycolicibacterium
hassiacum) 		PF00561
(Abhydrolase_1) 		4 ASP A  91
THR A  92
HIS A  65
LEU A 368
 None
 0.96A 5b1bA-5w8oA:
undetectable
5b1bC-5w8oA:
1.6
5b1bP-5w8oA:
1.6		 5b1bA-5w8oA:
20.38
5b1bC-5w8oA:
19.78
5b1bP-5w8oA:
19.78
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.
5wrj PROTEIN-TYROSINE
SULFOTRANSFERASE 1

(Homo sapiens) 		PF13469
(Sulfotransfer_3) 		4 ASP A 327
TRP A 249
HIS A 245
LEU A 321
 None
 0.86A 5b1bA-5wrjA:
undetectable
5b1bC-5wrjA:
undetectable
5b1bP-5wrjA:
undetectable		 5b1bA-5wrjA:
18.38
5b1bC-5wrjA:
21.63
5b1bP-5wrjA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y9d ACYL-COENZYME A
OXIDASE 1

(Yarrowia
lipolytica) 		no annotation 4 ASP A 519
THR A 518
TYR A 521
HIS A 548
 None
 1.14A 5b1bA-5y9dA:
0.1
5b1bC-5y9dA:
2.2
5b1bP-5y9dA:
2.2		 5b1bA-5y9dA:
undetectable
5b1bC-5y9dA:
undetectable
5b1bP-5y9dA:
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.
6c29 PUTATIVE METAL
RESISTANCE PROTEIN

(Proteus
mirabilis) 		no annotation 4 TRP A  46
ASP A 233
THR A 232
HIS A  83
 None
 1.19A 5b1bA-6c29A:
undetectable
5b1bC-6c29A:
undetectable
5b1bP-6c29A:
undetectable		 5b1bA-6c29A:
undetectable
5b1bC-6c29A:
undetectable
5b1bP-6c29A:
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.
6c29 PUTATIVE METAL
RESISTANCE PROTEIN

(Proteus
mirabilis) 		no annotation 4 TRP A  46
ASP A 233
THR A 232
LEU A 205
 None
 0.84A 5b1bA-6c29A:
undetectable
5b1bC-6c29A:
undetectable
5b1bP-6c29A:
undetectable		 5b1bA-6c29A:
undetectable
5b1bC-6c29A:
undetectable
5b1bP-6c29A:
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.
6dd3 CYTOSOLIC PURINE
5'-NUCLEOTIDASE

(Homo sapiens) 		no annotation 4 TRP A 279
ASP A 306
THR A 307
LEU A 312
 None
None
None
GOL  A 605 (-4.7A)
 0.98A 5b1bA-6dd3A:
2.3
5b1bC-6dd3A:
undetectable
5b1bP-6dd3A:
undetectable		 5b1bA-6dd3A:
undetectable
5b1bC-6dd3A:
undetectable
5b1bP-6dd3A:
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.
6gh8 -

(-) 		no annotation 4 TRP A  57
ASP A  92
TYR A 121
LEU A 100
 None
 1.13A 5b1bA-6gh8A:
undetectable
5b1bC-6gh8A:
undetectable
5b1bP-6gh8A:
undetectable		 5b1bA-6gh8A:
undetectable
5b1bC-6gh8A:
undetectable
5b1bP-6gh8A:
undetectable