SIMILAR PATTERNS OF AMINO ACIDS FOR 5X1B_C_CHDC305_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.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		4 ASP A 134
TYR A 133
HIS A 432
LEU A 146
 None
 1.11A 5x1bA-1c2oA:
0.2
5x1bC-1c2oA:
0.2
5x1bP-1c2oA:
0.1		 5x1bA-1c2oA:
23.41
5x1bC-1c2oA:
17.50
5x1bP-1c2oA:
17.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.07A 5x1bA-1h2bA:
0.0
5x1bC-1h2bA:
0.0
5x1bP-1h2bA:
undetectable		 5x1bA-1h2bA:
21.42
5x1bC-1h2bA:
19.62
5x1bP-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.
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
 1.14A 5x1bA-1ikfH:
undetectable
5x1bC-1ikfH:
undetectable
5x1bP-1ikfH:
undetectable		 5x1bA-1ikfH:
17.73
5x1bC-1ikfH:
21.91
5x1bP-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.
1js8 HEMOCYANIN

(Enteroctopus
dofleini) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS A2562
ASP A2695
THR A2692
TYR A2691
 CUO  A 888 (-3.4A)
None
CUO  A 888 ( 4.9A)
None
 1.17A 5x1bA-1js8A:
undetectable
5x1bC-1js8A:
1.2
5x1bP-1js8A:
0.9		 5x1bA-1js8A:
21.26
5x1bC-1js8A:
22.49
5x1bP-1js8A:
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.
1juh QUERCETIN
2,3-DIOXYGENASE

(Aspergillus
japonicus) 		no annotation 4 HIS A  21
THR A 124
TYR A  76
LEU A 251
 None
 1.04A 5x1bA-1juhA:
undetectable
5x1bC-1juhA:
undetectable
5x1bP-1juhA:
undetectable		 5x1bA-1juhA:
20.45
5x1bC-1juhA:
21.41
5x1bP-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 5x1bA-1lurA:
undetectable
5x1bC-1lurA:
undetectable
5x1bP-1lurA:
undetectable		 5x1bA-1lurA:
21.01
5x1bC-1lurA:
21.68
5x1bP-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.
1m2w MANNITOL
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		4 ASP A  47
THR A  46
TYR A  45
LEU A  85
 None
 1.08A 5x1bA-1m2wA:
0.0
5x1bC-1m2wA:
0.0
5x1bP-1m2wA:
undetectable		 5x1bA-1m2wA:
22.56
5x1bC-1m2wA:
18.97
5x1bP-1m2wA:
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.
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
 1.11A 5x1bA-1ndfA:
0.0
5x1bC-1ndfA:
1.4
5x1bP-1ndfA:
1.4		 5x1bA-1ndfA:
20.15
5x1bC-1ndfA:
17.22
5x1bP-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.
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
 1.06A 5x1bA-1p16A:
undetectable
5x1bC-1p16A:
undetectable
5x1bP-1p16A:
undetectable		 5x1bA-1p16A:
20.40
5x1bC-1p16A:
20.60
5x1bP-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
 1.10A 5x1bA-1pxtA:
0.0
5x1bC-1pxtA:
undetectable
5x1bP-1pxtA:
undetectable		 5x1bA-1pxtA:
22.37
5x1bC-1pxtA:
18.53
5x1bP-1pxtA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.13A 5x1bA-1uliA:
undetectable
5x1bC-1uliA:
undetectable
5x1bP-1uliA:
undetectable		 5x1bA-1uliA:
20.04
5x1bC-1uliA:
19.61
5x1bP-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
 1.06A 5x1bA-1uokA:
0.2
5x1bC-1uokA:
undetectable
5x1bP-1uokA:
undetectable		 5x1bA-1uokA:
19.97
5x1bC-1uokA:
17.17
5x1bP-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
 1.02A 5x1bA-1vbc3:
undetectable
5x1bC-1vbc3:
undetectable
5x1bP-1vbc3:
undetectable		 5x1bA-1vbc3:
18.30
5x1bC-1vbc3:
22.66
5x1bP-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
 1.01A 5x1bA-1velA:
2.6
5x1bC-1velA:
5.4
5x1bP-1velA:
5.5		 5x1bA-1velA:
17.45
5x1bC-1velA:
17.80
5x1bP-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
 1.09A 5x1bA-1vknA:
undetectable
5x1bC-1vknA:
0.0
5x1bP-1vknA:
undetectable		 5x1bA-1vknA:
21.35
5x1bC-1vknA:
22.71
5x1bP-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.
1vrm HYPOTHETICAL PROTEIN
TM1553

(Thermotoga
maritima) 		PF02424
(ApbE) 		4 ASP A 303
THR A 300
TYR A 196
LEU A  53
 UNL  A   4 (-3.7A)
None
None
None
 1.13A 5x1bA-1vrmA:
undetectable
5x1bC-1vrmA:
undetectable
5x1bP-1vrmA:
undetectable		 5x1bA-1vrmA:
20.11
5x1bC-1vrmA:
20.42
5x1bP-1vrmA:
20.42
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.
1xaj 3-DEHYDROQUINATE
SYNTHASE

(Staphylococcus
aureus) 		PF01761
(DHQ_synthase) 		4 HIS A 242
TYR A 180
HIS A 246
LEU A 204
 CRB  A 500 ( 3.9A)
None
CRB  A 500 (-4.1A)
None
 1.11A 5x1bA-1xajA:
undetectable
5x1bC-1xajA:
undetectable
5x1bP-1xajA:
undetectable		 5x1bA-1xajA:
22.14
5x1bC-1xajA:
22.31
5x1bP-1xajA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5x1bA-1xfdA:
undetectable
5x1bC-1xfdA:
undetectable
5x1bP-1xfdA:
undetectable		 5x1bA-1xfdA:
19.95
5x1bC-1xfdA:
15.42
5x1bP-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
 1.11A 5x1bA-1yq2A:
undetectable
5x1bC-1yq2A:
undetectable
5x1bP-1yq2A:
undetectable		 5x1bA-1yq2A:
18.96
5x1bC-1yq2A:
13.83
5x1bP-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
 1.11A 5x1bA-1yzwA:
undetectable
5x1bC-1yzwA:
undetectable
5x1bP-1yzwA:
undetectable		 5x1bA-1yzwA:
17.64
5x1bC-1yzwA:
19.42
5x1bP-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
 1.00A 5x1bA-1z7z3:
undetectable
5x1bC-1z7z3:
undetectable
5x1bP-1z7z3:
undetectable		 5x1bA-1z7z3:
17.82
5x1bC-1z7z3:
23.67
5x1bP-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
 1.00A 5x1bA-1zoiA:
undetectable
5x1bC-1zoiA:
undetectable
5x1bP-1zoiA:
undetectable		 5x1bA-1zoiA:
20.21
5x1bC-1zoiA:
20.86
5x1bP-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
 1.13A 5x1bA-1zzhA:
undetectable
5x1bC-1zzhA:
undetectable
5x1bP-1zzhA:
undetectable		 5x1bA-1zzhA:
20.08
5x1bC-1zzhA:
21.13
5x1bP-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
 1.07A 5x1bA-2b2xH:
undetectable
5x1bC-2b2xH:
undetectable
5x1bP-2b2xH:
undetectable		 5x1bA-2b2xH:
16.86
5x1bC-2b2xH:
22.43
5x1bP-2b2xH:
22.43
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) 		4 HIS A 233
ASP A 300
THR A 301
TYR A 304
 None
 0.12A 5x1bA-2eijA:
63.5
5x1bC-2eijA:
2.7
5x1bP-2eijA:
2.7		 5x1bA-2eijA:
100.00
5x1bC-2eijA:
21.00
5x1bP-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.
2fk6 RIBONUCLEASE Z

(Bacillus
subtilis) 		PF12706
(Lactamase_B_2) 		4 HIS A  63
THR A  20
HIS A 140
LEU A   3
 None
 1.15A 5x1bA-2fk6A:
undetectable
5x1bC-2fk6A:
undetectable
5x1bP-2fk6A:
undetectable		 5x1bA-2fk6A:
20.39
5x1bC-2fk6A:
22.39
5x1bP-2fk6A:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ggq 401AA LONG
HYPOTHETICAL
GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Sulfurisphaera
tokodaii) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		4 HIS A 195
ASP A 172
THR A 169
LEU A  85
 None
 1.18A 5x1bA-2ggqA:
undetectable
5x1bC-2ggqA:
undetectable
5x1bP-2ggqA:
undetectable		 5x1bA-2ggqA:
20.15
5x1bC-2ggqA:
18.55
5x1bP-2ggqA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.02A 5x1bA-2irwA:
undetectable
5x1bC-2irwA:
undetectable
5x1bP-2irwA:
1.6		 5x1bA-2irwA:
18.68
5x1bC-2irwA:
18.75
5x1bP-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.
2pl5 HOMOSERINE
O-ACETYLTRANSFERASE

(Leptospira
interrogans) 		PF00561
(Abhydrolase_1) 		4 ASP A  86
THR A  87
HIS A  60
LEU A 362
 None
 0.93A 5x1bA-2pl5A:
undetectable
5x1bC-2pl5A:
undetectable
5x1bP-2pl5A:
undetectable		 5x1bA-2pl5A:
21.46
5x1bC-2pl5A:
22.13
5x1bP-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
 1.07A 5x1bA-2qgqA:
undetectable
5x1bC-2qgqA:
undetectable
5x1bP-2qgqA:
undetectable		 5x1bA-2qgqA:
17.72
5x1bC-2qgqA:
19.74
5x1bP-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.
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
 1.18A 5x1bA-2vatA:
undetectable
5x1bC-2vatA:
undetectable
5x1bP-2vatA:
undetectable		 5x1bA-2vatA:
21.62
5x1bC-2vatA:
20.27
5x1bP-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.
2vdj HOMOSERINE
O-SUCCINYLTRANSFERAS
E

(Bacillus cereus) 		PF04204
(HTS) 		4 HIS A 152
THR A 138
HIS A 151
LEU A  54
 None
 1.09A 5x1bA-2vdjA:
undetectable
5x1bC-2vdjA:
undetectable
5x1bP-2vdjA:
undetectable		 5x1bA-2vdjA:
20.08
5x1bC-2vdjA:
20.94
5x1bP-2vdjA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vob TRYPANOTHIONE
SYNTHETASE

(Leishmania
major) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		4 ASP A 466
THR A 465
TYR A 468
LEU A 493
 None
 0.88A 5x1bA-2vobA:
undetectable
5x1bC-2vobA:
undetectable
5x1bP-2vobA:
undetectable		 5x1bA-2vobA:
21.23
5x1bC-2vobA:
15.17
5x1bP-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.
2xhg TYROCIDINE
SYNTHETASE A

(Brevibacillus
brevis) 		PF00668
(Condensation) 		4 HIS A 116
THR A 392
HIS A  36
LEU A 370
 None
 1.18A 5x1bA-2xhgA:
undetectable
5x1bC-2xhgA:
undetectable
5x1bP-2xhgA:
undetectable		 5x1bA-2xhgA:
20.56
5x1bC-2xhgA:
19.86
5x1bP-2xhgA:
19.86
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.
3aw5 MULTICOPPER OXIDASE

(Pyrobaculum
aerophilum) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 HIS A 461
THR A 139
HIS A  94
LEU A  85
 C2O  A 702 (-3.5A)
None
C2O  A 702 ( 3.2A)
None
 1.12A 5x1bA-3aw5A:
undetectable
5x1bC-3aw5A:
undetectable
5x1bP-3aw5A:
undetectable		 5x1bA-3aw5A:
22.18
5x1bC-3aw5A:
18.91
5x1bP-3aw5A:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dqp OXIDOREDUCTASE YLBE

(Lactococcus
lactis) 		PF13460
(NAD_binding_10) 		4 ASP A 179
THR A 180
HIS A 189
LEU A  16
 None
 1.03A 5x1bA-3dqpA:
undetectable
5x1bC-3dqpA:
undetectable
5x1bP-3dqpA:
undetectable		 5x1bA-3dqpA:
17.95
5x1bC-3dqpA:
20.86
5x1bP-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.
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)
 1.10A 5x1bA-3ec7A:
undetectable
5x1bC-3ec7A:
undetectable
5x1bP-3ec7A:
undetectable		 5x1bA-3ec7A:
20.73
5x1bC-3ec7A:
19.29
5x1bP-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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN

(Escherichia
coli;
Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N)
PF13247
(Fer4_11)
PF14711
(Nitr_red_bet_C) 		4 THR A 778
TYR A 781
HIS A1163
LEU B 111
 None
None
MD1  A1245 (-3.4A)
None
 1.20A 5x1bA-3egwA:
undetectable
5x1bC-3egwA:
undetectable
5x1bP-3egwA:
undetectable		 5x1bA-3egwA:
16.88
5x1bC-3egwA:
11.25
5x1bP-3egwA:
11.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 5x1bA-3eqqA:
undetectable
5x1bC-3eqqA:
undetectable
5x1bP-3eqqA:
undetectable		 5x1bA-3eqqA:
21.73
5x1bC-3eqqA:
18.97
5x1bP-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.
3fhn PROTEIN TRANSPORT
PROTEIN TIP20

(Saccharomyces
cerevisiae) 		PF04437
(RINT1_TIP1) 		4 ASP A 654
TYR A 653
HIS A 643
LEU A 661
 None
 1.12A 5x1bA-3fhnA:
undetectable
5x1bC-3fhnA:
3.5
5x1bP-3fhnA:
3.4		 5x1bA-3fhnA:
20.97
5x1bC-3fhnA:
16.62
5x1bP-3fhnA:
16.62
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.
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
 1.10A 5x1bA-3h2sA:
undetectable
5x1bC-3h2sA:
undetectable
5x1bP-3h2sA:
undetectable		 5x1bA-3h2sA:
17.81
5x1bC-3h2sA:
22.46
5x1bP-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.
3h31 HIGH POTENTIAL
IRON-SULFUR PROTEIN

(Rhodothermus
marinus) 		PF01355
(HIPIP) 		4 HIS A  27
ASP A   7
THR A   6
LEU A  11
 None
 1.08A 5x1bA-3h31A:
undetectable
5x1bC-3h31A:
undetectable
5x1bP-3h31A:
undetectable		 5x1bA-3h31A:
11.25
5x1bC-3h31A:
16.33
5x1bP-3h31A:
16.33
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.
3i1i HOMOSERINE
O-ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00561
(Abhydrolase_1) 		4 ASP A  79
THR A  80
HIS A  53
LEU A 366
 None
 0.97A 5x1bA-3i1iA:
undetectable
5x1bC-3i1iA:
undetectable
5x1bP-3i1iA:
undetectable		 5x1bA-3i1iA:
19.42
5x1bC-3i1iA:
20.51
5x1bP-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.
3i99 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Vibrio cholerae) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		4 ASP A 218
TYR A 220
HIS A  93
LEU A 207
 None
 1.19A 5x1bA-3i99A:
undetectable
5x1bC-3i99A:
undetectable
5x1bP-3i99A:
undetectable		 5x1bA-3i99A:
20.27
5x1bC-3i99A:
20.60
5x1bP-3i99A:
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.
3il7 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Staphylococcus
aureus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ASP A 147
THR A 146
HIS A 238
LEU A  26
 None
 1.14A 5x1bA-3il7A:
undetectable
5x1bC-3il7A:
undetectable
5x1bP-3il7A:
undetectable		 5x1bA-3il7A:
22.86
5x1bC-3il7A:
19.12
5x1bP-3il7A:
19.12
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.
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
 1.09A 5x1bA-3izyP:
undetectable
5x1bC-3izyP:
undetectable
5x1bP-3izyP:
undetectable		 5x1bA-3izyP:
21.85
5x1bC-3izyP:
18.22
5x1bP-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
 1.17A 5x1bA-3jb9X:
undetectable
5x1bC-3jb9X:
undetectable
5x1bP-3jb9X:
undetectable		 5x1bA-3jb9X:
16.83
5x1bC-3jb9X:
11.15
5x1bP-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.
3js4 SUPEROXIDE DISMUTASE

(Anaplasma
phagocytophilum) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 ASP A  34
THR A  31
TYR A  32
LEU A  39
 None
 1.03A 5x1bA-3js4A:
undetectable
5x1bC-3js4A:
undetectable
5x1bP-3js4A:
undetectable		 5x1bA-3js4A:
18.43
5x1bC-3js4A:
22.68
5x1bP-3js4A:
22.68
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.
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
 1.12A 5x1bA-3lv4A:
undetectable
5x1bC-3lv4A:
undetectable
5x1bP-3lv4A:
undetectable		 5x1bA-3lv4A:
22.18
5x1bC-3lv4A:
20.65
5x1bP-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.
3m1g PUTATIVE GLUTATHIONE
S-TRANSFERASE

(Corynebacterium
glutamicum) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 THR A 155
TRP A  69
HIS A  95
LEU A  79
 None
 1.20A 5x1bA-3m1gA:
undetectable
5x1bC-3m1gA:
undetectable
5x1bP-3m1gA:
undetectable		 5x1bA-3m1gA:
20.95
5x1bC-3m1gA:
19.40
5x1bP-3m1gA:
19.40
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.
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF03212
(Pertactin) 		4 ASP A 662
THR A 634
TYR A 635
LEU A 648
 None
 1.12A 5x1bA-3ml3A:
undetectable
5x1bC-3ml3A:
undetectable
5x1bP-3ml3A:
undetectable		 5x1bA-3ml3A:
18.96
5x1bC-3ml3A:
21.48
5x1bP-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.
3n0q PUTATIVE
AROMATIC-RING
HYDROXYLATING
DIOXYGENASE

(Ruegeria sp.
TM1040) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 ASP A  25
THR A  24
TYR A  23
LEU A   8
 None
 0.96A 5x1bA-3n0qA:
undetectable
5x1bC-3n0qA:
undetectable
5x1bP-3n0qA:
undetectable		 5x1bA-3n0qA:
22.04
5x1bC-3n0qA:
21.27
5x1bP-3n0qA:
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.
3ni8 PFC0360W PROTEIN

(Plasmodium
falciparum) 		PF08327
(AHSA1) 		4 ASP A  40
THR A  39
HIS A  81
LEU A  47
 None
 1.19A 5x1bA-3ni8A:
undetectable
5x1bC-3ni8A:
undetectable
5x1bP-3ni8A:
undetectable		 5x1bA-3ni8A:
13.13
5x1bC-3ni8A:
19.47
5x1bP-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
 1.09A 5x1bA-3ox4A:
undetectable
5x1bC-3ox4A:
2.3
5x1bP-3ox4A:
2.4		 5x1bA-3ox4A:
21.52
5x1bC-3ox4A:
20.96
5x1bP-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.
3p9v UNCHARACTERIZED
PROTEIN

(Marinobacter
hydrocarbonoclasticus) 		PF10604
(Polyketide_cyc2) 		4 ASP A 143
THR A 144
TYR A 145
LEU A  13
 None
 1.09A 5x1bA-3p9vA:
undetectable
5x1bC-3p9vA:
undetectable
5x1bP-3p9vA:
undetectable		 5x1bA-3p9vA:
14.53
5x1bC-3p9vA:
19.92
5x1bP-3p9vA:
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.
3ppc 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Candida
albicans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 ASP A 311
THR A 310
HIS A 274
LEU A 386
 None
 0.98A 5x1bA-3ppcA:
undetectable
5x1bC-3ppcA:
undetectable
5x1bP-3ppcA:
undetectable		 5x1bA-3ppcA:
20.67
5x1bC-3ppcA:
15.63
5x1bP-3ppcA:
15.63
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.
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
 1.15A 5x1bA-3qbwA:
undetectable
5x1bC-3qbwA:
undetectable
5x1bP-3qbwA:
undetectable		 5x1bA-3qbwA:
21.43
5x1bC-3qbwA:
21.66
5x1bP-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.
3r13 DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Thermotoga
maritima) 		PF01791
(DeoC) 		4 THR A 160
TRP A 199
HIS A 195
LEU A 125
 None
 1.20A 5x1bA-3r13A:
undetectable
5x1bC-3r13A:
undetectable
5x1bP-3r13A:
undetectable		 5x1bA-3r13A:
17.32
5x1bC-3r13A:
19.93
5x1bP-3r13A:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ri6 O-ACETYLHOMOSERINE
SULFHYDRYLASE

(Wolinella
succinogenes) 		PF01053
(Cys_Met_Meta_PP) 		4 HIS A 263
ASP A  63
THR A  60
LEU A  68
 None
 1.18A 5x1bA-3ri6A:
undetectable
5x1bC-3ri6A:
undetectable
5x1bP-3ri6A:
undetectable		 5x1bA-3ri6A:
21.43
5x1bC-3ri6A:
21.61
5x1bP-3ri6A:
21.61
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.
3ujz METALLOPROTEASE STCE

(Escherichia
coli) 		PF10462
(Peptidase_M66) 		4 HIS A 511
ASP A 128
THR A 129
LEU A 126
 None
 1.16A 5x1bA-3ujzA:
undetectable
5x1bC-3ujzA:
undetectable
5x1bP-3ujzA:
undetectable		 5x1bA-3ujzA:
19.55
5x1bC-3ujzA:
13.39
5x1bP-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.
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 5x1bA-3vvlA:
0.8
5x1bC-3vvlA:
undetectable
5x1bP-3vvlA:
undetectable		 5x1bA-3vvlA:
19.38
5x1bC-3vvlA:
20.36
5x1bP-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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS A 482
ASP A 626
THR A 623
TYR A 622
 CUO  A9002 (-3.4A)
None
CUO  A9002 ( 4.5A)
None
 1.11A 5x1bA-4bedA:
undetectable
5x1bC-4bedA:
undetectable
5x1bP-4bedA:
undetectable		 5x1bA-4bedA:
14.65
5x1bC-4bedA:
9.60
5x1bP-4bedA:
9.60
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.
4dgq NON-HEME
CHLOROPEROXIDASE

(Burkholderia
cenocepacia) 		PF00561
(Abhydrolase_1) 		4 ASP A 207
THR A 206
HIS A  74
LEU A 212
 None
 0.97A 5x1bA-4dgqA:
undetectable
5x1bC-4dgqA:
undetectable
5x1bP-4dgqA:
undetectable		 5x1bA-4dgqA:
18.30
5x1bC-4dgqA:
20.20
5x1bP-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
 1.15A 5x1bA-4el8A:
undetectable
5x1bC-4el8A:
undetectable
5x1bP-4el8A:
undetectable		 5x1bA-4el8A:
20.22
5x1bC-4el8A:
17.87
5x1bP-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
 1.04A 5x1bA-4g0rA:
undetectable
5x1bC-4g0rA:
undetectable
5x1bP-4g0rA:
undetectable		 5x1bA-4g0rA:
20.65
5x1bC-4g0rA:
16.97
5x1bP-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.
4il2 STARVATION SENSING
PROTEIN RSPA

(Escherichia
coli) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A 225
ASP A 145
THR A 135
LEU A 143
 MG  A 501 ( 4.8A)
None
None
None
 1.15A 5x1bA-4il2A:
undetectable
5x1bC-4il2A:
undetectable
5x1bP-4il2A:
undetectable		 5x1bA-4il2A:
20.83
5x1bC-4il2A:
19.59
5x1bP-4il2A:
19.59
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.
4onq DNA
METHYLTRANSFERASE

(Nicotiana
tabacum) 		PF00145
(DNA_methylase) 		4 ASP A 465
THR A 466
TYR A 469
LEU A 348
 None
 0.84A 5x1bA-4onqA:
undetectable
5x1bC-4onqA:
undetectable
5x1bP-4onqA:
undetectable		 5x1bA-4onqA:
21.07
5x1bC-4onqA:
19.61
5x1bP-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
 1.12A 5x1bA-4r85A:
undetectable
5x1bC-4r85A:
undetectable
5x1bP-4r85A:
undetectable		 5x1bA-4r85A:
22.06
5x1bC-4r85A:
20.00
5x1bP-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.
4raj HEME OXYGENASE

(Chlamydomonas
reinhardtii) 		PF01126
(Heme_oxygenase) 		4 HIS A 125
ASP A 205
HIS A 217
LEU A  17
 None
 1.06A 5x1bA-4rajA:
undetectable
5x1bC-4rajA:
2.5
5x1bP-4rajA:
2.5		 5x1bA-4rajA:
18.59
5x1bC-4rajA:
19.34
5x1bP-4rajA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rnl POSSIBLE GALACTOSE
MUTAROTASE

(Streptomyces
platensis) 		PF01263
(Aldose_epim) 		4 HIS A 179
ASP A 285
TYR A 296
HIS A 110
 GOL  A 401 (-3.9A)
None
None
GOL  A 401 (-4.2A)
 1.20A 5x1bA-4rnlA:
undetectable
5x1bC-4rnlA:
undetectable
5x1bP-4rnlA:
undetectable		 5x1bA-4rnlA:
19.58
5x1bC-4rnlA:
20.62
5x1bP-4rnlA:
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.
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
 0.95A 5x1bA-4ua3A:
undetectable
5x1bC-4ua3A:
undetectable
5x1bP-4ua3A:
undetectable		 5x1bA-4ua3A:
16.40
5x1bC-4ua3A:
20.36
5x1bP-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
 0.96A 5x1bA-4xltA:
undetectable
5x1bC-4xltA:
undetectable
5x1bP-4xltA:
undetectable		 5x1bA-4xltA:
12.73
5x1bC-4xltA:
18.29
5x1bP-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
 1.12A 5x1bA-4xlyA:
2.7
5x1bC-4xlyA:
undetectable
5x1bP-4xlyA:
2.2		 5x1bA-4xlyA:
19.80
5x1bC-4xlyA:
19.42
5x1bP-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
 1.05A 5x1bA-4yooA:
1.5
5x1bC-4yooA:
undetectable
5x1bP-4yooA:
undetectable		 5x1bA-4yooA:
20.71
5x1bC-4yooA:
21.08
5x1bP-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.
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
 1.13A 5x1bA-5az4A:
undetectable
5x1bC-5az4A:
undetectable
5x1bP-5az4A:
undetectable		 5x1bA-5az4A:
21.03
5x1bC-5az4A:
15.61
5x1bP-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
 0.90A 5x1bA-5az4A:
undetectable
5x1bC-5az4A:
undetectable
5x1bP-5az4A:
undetectable		 5x1bA-5az4A:
21.03
5x1bC-5az4A:
15.61
5x1bP-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
 1.19A 5x1bA-5bv9A:
2.0
5x1bC-5bv9A:
undetectable
5x1bP-5bv9A:
undetectable		 5x1bA-5bv9A:
20.55
5x1bC-5bv9A:
16.00
5x1bP-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.
5fcm BASAL BODY PROTEIN

(Chlamydomonas
reinhardtii) 		no annotation 4 ASP A  45
THR A  48
TYR A  47
LEU A  40
 None
 1.19A 5x1bA-5fcmA:
undetectable
5x1bC-5fcmA:
undetectable
5x1bP-5fcmA:
undetectable		 5x1bA-5fcmA:
8.98
5x1bC-5fcmA:
16.94
5x1bP-5fcmA:
16.94
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.
5grs STEROL REGULATORY
ELEMENT-BINDING
PROTEIN
CLEAVAGE-ACTIVATING
PROTEIN

(Schizosaccharomyces
pombe) 		no annotation 4 ASP A 727
THR A 720
TRP A 773
LEU A 674
 None
 1.15A 5x1bA-5grsA:
undetectable
5x1bC-5grsA:
undetectable
5x1bP-5grsA:
undetectable		 5x1bA-5grsA:
19.81
5x1bC-5grsA:
20.62
5x1bP-5grsA:
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.
5h46 DNA PROTECTION
DURING STARVATION
PROTEIN

(Mycolicibacterium
smegmatis) 		PF00210
(Ferritin) 		4 ASP A  30
THR A  27
TYR A  28
LEU A  35
 None
 1.18A 5x1bA-5h46A:
2.5
5x1bC-5h46A:
3.9
5x1bP-5h46A:
4.2		 5x1bA-5h46A:
13.19
5x1bC-5h46A:
19.15
5x1bP-5h46A:
19.15
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.
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)
 1.14A 5x1bA-5ikrA:
undetectable
5x1bC-5ikrA:
undetectable
5x1bP-5ikrA:
undetectable		 5x1bA-5ikrA:
21.04
5x1bC-5ikrA:
20.62
5x1bP-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
 1.03A 5x1bA-5irmA:
undetectable
5x1bC-5irmA:
undetectable
5x1bP-5irmA:
undetectable		 5x1bA-5irmA:
20.45
5x1bC-5irmA:
15.38
5x1bP-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
 1.10A 5x1bA-5jkjA:
undetectable
5x1bC-5jkjA:
undetectable
5x1bP-5jkjA:
undetectable		 5x1bA-5jkjA:
21.88
5x1bC-5jkjA:
20.47
5x1bP-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
 1.08A 5x1bA-5jxlA:
undetectable
5x1bC-5jxlA:
2.4
5x1bP-5jxlA:
2.3		 5x1bA-5jxlA:
20.42
5x1bC-5jxlA:
15.73
5x1bP-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
 1.11A 5x1bA-5ke1A:
undetectable
5x1bC-5ke1A:
undetectable
5x1bP-5ke1A:
undetectable		 5x1bA-5ke1A:
21.41
5x1bC-5ke1A:
19.42
5x1bP-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.
5kwn E3 UBIQUITIN-PROTEIN
LIGASE COP1

(Arabidopsis
thaliana) 		PF00400
(WD40) 		4 ASP A 569
THR A 568
TRP A 467
LEU A 572
 None
 1.20A 5x1bA-5kwnA:
undetectable
5x1bC-5kwnA:
undetectable
5x1bP-5kwnA:
undetectable		 5x1bA-5kwnA:
20.48
5x1bC-5kwnA:
20.18
5x1bP-5kwnA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n9m COBYRIC ACID
SYNTHASE

(Staphylococcus
aureus) 		no annotation 4 ASP A  19
TYR A  17
HIS A 155
LEU A  14
 None
 1.18A 5x1bA-5n9mA:
undetectable
5x1bC-5n9mA:
undetectable
5x1bP-5n9mA:
undetectable		 5x1bA-5n9mA:
undetectable
5x1bC-5n9mA:
undetectable
5x1bP-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.
5na7 PUTATIVE
DIPEPTIDYL-PEPTIDASE
III

(Bacteroides
thetaiotaomicron) 		no annotation 4 HIS A 117
ASP A 193
TYR A 191
LEU A 241
 None
 1.11A 5x1bA-5na7A:
undetectable
5x1bC-5na7A:
undetectable
5x1bP-5na7A:
undetectable		 5x1bA-5na7A:
21.17
5x1bC-5na7A:
15.94
5x1bP-5na7A:
15.94
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.
5nyw PROTEASOME SUBUNIT

(Yersinia
bercovieri) 		no annotation 4 THR A   1
TYR A   2
HIS A  34
LEU A 183
 None
 0.92A 5x1bA-5nywA:
undetectable
5x1bC-5nywA:
undetectable
5x1bP-5nywA:
undetectable		 5x1bA-5nywA:
18.50
5x1bC-5nywA:
22.76
5x1bP-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
 1.19A 5x1bA-5oh6A:
undetectable
5x1bC-5oh6A:
undetectable
5x1bP-5oh6A:
1.9		 5x1bA-5oh6A:
16.89
5x1bC-5oh6A:
20.00
5x1bP-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
 0.89A 5x1bA-5u7wA:
undetectable
5x1bC-5u7wA:
undetectable
5x1bP-5u7wA:
undetectable		 5x1bA-5u7wA:
23.37
5x1bC-5u7wA:
20.60
5x1bP-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.
5u7x NOD FACTOR BINDING
LECTIN-NUCLEOTIDE
PHOSPHOHYDROLASE

(Vigna
unguiculata) 		PF01150
(GDA1_CD39) 		4 HIS F  21
THR F 138
TYR F 141
LEU F 194
 None
 0.98A 5x1bA-5u7xF:
undetectable
5x1bC-5u7xF:
undetectable
5x1bP-5u7xF:
undetectable		 5x1bA-5u7xF:
20.11
5x1bC-5u7xF:
20.51
5x1bP-5u7xF:
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.
5ufy ACYLTRANSFERASE

(Streptococcus
pneumoniae) 		no annotation 4 ASP A 588
THR A 589
TYR A 586
LEU A 451
 None
 1.17A 5x1bA-5ufyA:
1.3
5x1bC-5ufyA:
undetectable
5x1bP-5ufyA:
undetectable		 5x1bA-5ufyA:
17.83
5x1bC-5ufyA:
21.77
5x1bP-5ufyA:
21.77
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.
5ug1 ACYLTRANSFERASE

(Streptococcus
pneumoniae) 		no annotation 4 ASP A 588
THR A 589
TYR A 586
LEU A 451
 None
 1.19A 5x1bA-5ug1A:
undetectable
5x1bC-5ug1A:
undetectable
5x1bP-5ug1A:
undetectable		 5x1bA-5ug1A:
15.92
5x1bC-5ug1A:
17.49
5x1bP-5ug1A:
17.49
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.
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
 0.92A 5x1bA-5ukhA:
undetectable
5x1bC-5ukhA:
undetectable
5x1bP-5ukhA:
undetectable		 5x1bA-5ukhA:
20.30
5x1bC-5ukhA:
19.51
5x1bP-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
 1.16A 5x1bA-5urbA:
1.8
5x1bC-5urbA:
3.3
5x1bP-5urbA:
3.3		 5x1bA-5urbA:
21.15
5x1bC-5urbA:
16.78
5x1bP-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
 0.94A 5x1bA-5w8oA:
undetectable
5x1bC-5w8oA:
1.6
5x1bP-5w8oA:
undetectable		 5x1bA-5w8oA:
20.38
5x1bC-5w8oA:
19.78
5x1bP-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
 0.99A 5x1bA-5wrjA:
undetectable
5x1bC-5wrjA:
undetectable
5x1bP-5wrjA:
undetectable		 5x1bA-5wrjA:
18.38
5x1bC-5wrjA:
21.63
5x1bP-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.
5y7o UGGT

(Thermomyces
dupontii) 		PF06427
(UDP-g_GGTase) 		4 ASP A 418
THR A 655
TYR A 417
LEU A 602
 None
 1.19A 5x1bA-5y7oA:
0.5
5x1bC-5y7oA:
undetectable
5x1bP-5y7oA:
undetectable		 5x1bA-5y7oA:
17.60
5x1bC-5y7oA:
13.77
5x1bP-5y7oA:
13.77
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.
5y9d ACYL-COENZYME A
OXIDASE 1

(Yarrowia
lipolytica) 		no annotation 4 ASP A 519
THR A 518
TYR A 521
HIS A 548
 None
 1.07A 5x1bA-5y9dA:
3.0
5x1bC-5y9dA:
2.1
5x1bP-5y9dA:
2.2		 5x1bA-5y9dA:
undetectable
5x1bC-5y9dA:
undetectable
5x1bP-5y9dA:
undetectable