SIMILAR PATTERNS OF AMINO ACIDS FOR 2BR4_D_SAMD301

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.
1amo NADPH-CYTOCHROME
P450 REDUCTASE

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		5 LEU A 562
GLY A 536
CYH A 472
ALA A 538
ALA A 459
 None
None
None
FAD  A 750 (-3.7A)
None
 1.18A 2br4D-1amoA:
4.2		 2br4D-1amoA:
17.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1azz COLLAGENASE

(Leptuca
pugilator) 		PF00089
(Trypsin) 		5 LEU A 155
GLU A  77
GLY A  69
ALA A 117
ALA A 116
 None
 1.15A 2br4D-1azzA:
undetectable		 2br4D-1azzA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1buc BUTYRYL-COA
DEHYDROGENASE

(Megasphaera
elsdenii) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		6 LEU A  24
LEU A  45
GLY A  85
ARG A 355
ARG A  31
ALA A  84
 None
 1.34A 2br4D-1bucA:
undetectable		 2br4D-1bucA:
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.
1bx0 PROTEIN
(FERREDOXIN:NADP+
OXIDOREDUCTASE)

(Spinacia
oleracea) 		PF00175
(NAD_binding_1) 		5 LEU A 200
GLY A 173
CYH A 114
ALA A 175
ALA A  98
 None
None
None
FAD  A 315 ( 4.0A)
None
 1.17A 2br4D-1bx0A:
3.0		 2br4D-1bx0A:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gcb GAL6 HG (EMTS)
DERIVATIVE

(Saccharomyces
cerevisiae) 		PF03051
(Peptidase_C1_2) 		5 LEU A 288
GLY A 142
CYH A  73
ALA A 453
ALA A 370
 None
None
HG  A 904 ( 2.1A)
HG  A 904 (-4.8A)
None
 1.18A 2br4D-1gcbA:
undetectable		 2br4D-1gcbA:
18.20
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.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		5 LEU A 511
LEU A 458
GLY A 538
ALA A 467
ALA A 471
 None
 0.95A 2br4D-1itkA:
undetectable		 2br4D-1itkA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ixp PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Escherichia
coli) 		PF03740
(PdxJ) 		5 LEU A  65
GLU A 211
GLY A   7
ALA A  39
ALA A  37
 None
 0.96A 2br4D-1ixpA:
undetectable		 2br4D-1ixpA:
25.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k4q GLUTATHIONE
REDUCTASE

(Homo sapiens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 298
GLU A  50
GLY A  27
SER A  51
ALA A 155
 None
FAD  A 499 (-2.8A)
FAD  A 499 (-3.3A)
FAD  A 499 (-3.1A)
FAD  A 499 (-4.5A)
 1.08A 2br4D-1k4qA:
2.8		 2br4D-1k4qA:
18.92
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.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN

(Oligotropha
carboxidovorans) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 LEU B 459
GLU B 404
GLY B 482
SER B 414
ALA B 776
 None
 1.03A 2br4D-1n60B:
undetectable		 2br4D-1n60B:
15.12
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.
1pc3 PHOSPHATE-BINDING
PROTEIN 1

(Mycobacterium
tuberculosis) 		PF12849
(PBP_like_2) 		5 LEU A 309
LEU A  30
GLY A  80
ALA A  72
ALA A  73
 None
 1.05A 2br4D-1pc3A:
undetectable		 2br4D-1pc3A:
19.43
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.
1qgz PROTEIN
(FERREDOXIN:NADP+
REDUCTASE)

(Nostoc sp. PCC
7119) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 LEU A 189
GLY A 158
CYH A  98
ALA A 160
ALA A  82
 None
None
None
FAD  A 304 ( 4.0A)
None
 1.15A 2br4D-1qgzA:
2.9		 2br4D-1qgzA:
20.46
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.
1r88 MPT51/MPB51 ANTIGEN

(Mycobacterium
tuberculosis) 		PF00756
(Esterase) 		5 LEU A  87
LEU A  64
GLY A  81
SER A  75
ALA A 284
 None
 1.19A 2br4D-1r88A:
undetectable		 2br4D-1r88A:
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.
1rqj GERANYLTRANSTRANSFER
ASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		5 LEU A 308
LEU A  72
TYR A 232
ALA A 215
ALA A 218
 None
 1.18A 2br4D-1rqjA:
undetectable		 2br4D-1rqjA:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rwr FILAMENTOUS
HEMAGGLUTININ

(Bordetella
pertussis) 		PF05860
(Haemagg_act) 		5 LEU A 273
LEU A 275
GLY A 264
SER A 282
ALA A 224
 None
 1.07A 2br4D-1rwrA:
undetectable		 2br4D-1rwrA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		6 GLU A  85
GLY A  87
TYR A  89
SER A  93
ASP A 111
ALA A 164
 SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
SAH  A 301 (-2.7A)
SAH  A 301 (-2.8A)
SAH  A 301 ( 3.7A)
 1.10A 2br4D-1susA:
13.2		 2br4D-1susA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u2l PEROXIDASE/CATALASE
HPI

(Escherichia
coli) 		PF00141
(peroxidase) 		5 LEU A 513
LEU A 462
GLY A 533
ALA A 471
ALA A 475
 None
 1.02A 2br4D-1u2lA:
undetectable		 2br4D-1u2lA:
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.
1uaa PROTEIN
(ATP-DEPENDENT DNA
HELICASE REP.)

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 LEU A 453
LEU A 445
GLU A 423
GLY A 422
ALA A 425
 None
 1.04A 2br4D-1uaaA:
2.3		 2br4D-1uaaA:
16.39
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.
1wwu HYPOTHETICAL PROTEIN
FLJ21935

(Homo sapiens) 		no annotation 5 LEU A  54
LEU A  33
GLU A  69
GLY A  70
SER A  39
 None
 1.18A 2br4D-1wwuA:
undetectable		 2br4D-1wwuA:
18.86
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.
1zk7 MERCURIC REDUCTASE

(Pseudomonas
aeruginosa) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 276
GLU A  34
GLY A  11
ALA A 145
ALA A 307
 None
FAD  A 666 (-2.5A)
FAD  A 666 (-3.2A)
FAD  A 666 (-4.9A)
None
 1.02A 2br4D-1zk7A:
3.4		 2br4D-1zk7A:
17.71
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.
2b5o FERREDOXIN--NADP
REDUCTASE

(Synechococcus
sp. PCC 7002) 		PF00175
(NAD_binding_1) 		5 LEU A 288
GLY A 261
CYH A 200
ALA A 263
ALA A 184
 None
None
None
FAD  A 403 ( 4.3A)
None
 1.09A 2br4D-2b5oA:
3.8		 2br4D-2b5oA:
21.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus) 		PF04989
(CmcI) 		12 LEU A  18
LEU A  64
GLU A  87
GLY A  89
TYR A  91
SER A  95
ASP A 116
ARG A 117
ARG A 121
CYH A 139
ALA A 161
ALA A 163
 SAM  A 301 ( 4.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
SAM  A 301 (-2.9A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 3.7A)
 0.34A 2br4D-2br4A:
34.9		 2br4D-2br4A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cx9 ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A  22
GLY A  83
TYR A  81
ALA A  86
ALA A  90
 None
 1.04A 2br4D-2cx9A:
undetectable		 2br4D-2cx9A:
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.
2e6m WERNER SYNDROME
ATP-DEPENDENT
HELICASE HOMOLOG

(Mus musculus) 		PF01612
(DNA_pol_A_exo1) 		5 LEU A 155
GLY A  74
CYH A 103
ALA A 211
ALA A 208
 None
 1.09A 2br4D-2e6mA:
undetectable		 2br4D-2e6mA:
20.24
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.
2fbv WERNER SYNDROME
HELICASE

(Homo sapiens) 		PF01612
(DNA_pol_A_exo1) 		5 LEU A 161
GLY A  80
CYH A 109
ALA A 217
ALA A 214
 None
 1.12A 2br4D-2fbvA:
undetectable		 2br4D-2fbvA:
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.
2h1y MALONYL COENZYME
A-ACYL CARRIER
PROTEIN TRANSACYLASE

(Helicobacter
pylori) 		PF00698
(Acyl_transf_1) 		5 LEU A 176
GLY A 168
CYH A 199
ALA A 167
ALA A 156
 None
 1.01A 2br4D-2h1yA:
undetectable		 2br4D-2h1yA:
22.65
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.
2hnk SAM-DEPENDENT
O-METHYLTRANSFERASE

(Leptospira
interrogans) 		PF01596
(Methyltransf_3) 		5 GLU A  66
GLY A  68
SER A  74
ASP A  92
ALA A 155
 SAH  A2001 ( 4.2A)
SAH  A2001 (-3.3A)
SAH  A2001 (-2.9A)
SAH  A2001 (-3.0A)
SAH  A2001 ( 3.8A)
 1.15A 2br4D-2hnkA:
12.6		 2br4D-2hnkA:
24.18
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.
2it1 362AA LONG
HYPOTHETICAL
MALTOSE/MALTODEXTRIN
TRANSPORT
ATP-BINDING PROTEIN

(Pyrococcus
horikoshii) 		PF00005
(ABC_tran) 		5 LEU A  24
LEU A  45
SER A  40
ALA A  33
ALA A 201
 None
 1.00A 2br4D-2it1A:
undetectable		 2br4D-2it1A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rek PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 LEU A  74
LEU A 132
GLY A 102
ARG A  70
ALA A  99
 None
 1.03A 2br4D-2rekA:
undetectable		 2br4D-2rekA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vfv XYLITOL OXIDASE

(Streptomyces
coelicolor) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 LEU A 174
LEU A  90
GLY A  83
ALA A 113
ALA A 117
 None
None
SFD  A1418 ( 4.3A)
SFD  A1418 (-3.5A)
SFD  A1418 (-3.2A)
 0.91A 2br4D-2vfvA:
undetectable		 2br4D-2vfvA:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vsu P-HYDROXYCINNAMOYL
COA HYDRATASE/LYASE

(Pseudomonas
fluorescens) 		PF00378
(ECH_1) 		5 LEU C  45
LEU C  57
TYR C 105
ALA C 127
ALA C 123
 None
 1.13A 2br4D-2vsuC:
undetectable		 2br4D-2vsuC:
23.78
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.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 LEU A 512
GLY A 509
ASP A 494
ALA A 527
ALA A 628
 None
 1.15A 2br4D-2y8nA:
undetectable		 2br4D-2y8nA:
12.97
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.
2yr5 PRO-ENZYME OF
L-PHENYLALANINE
OXIDASE

(Pseudomonas sp.
P-501) 		no annotation 5 LEU A 389
GLY A  63
TYR A  93
ALA A 409
ALA A 650
 None
FAD  A 801 (-3.1A)
None
None
None
 0.86A 2br4D-2yr5A:
undetectable		 2br4D-2yr5A:
14.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zg6 PUTATIVE
UNCHARACTERIZED
PROTEIN ST2620

(Sulfurisphaera
tokodaii) 		PF13419
(HAD_2) 		5 GLY A  11
SER A 118
ASP A 172
ARG A  43
ALA A  46
 None
 1.16A 2br4D-2zg6A:
2.7		 2br4D-2zg6A:
21.18
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.
3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350

(Thermus
thermophilus) 		PF00582
(Usp) 		5 LEU A 228
LEU A 238
GLY A 241
ALA A 167
ALA A 163
 LEU  A 228 ( 0.6A)
LEU  A 238 ( 0.6A)
GLY  A 241 ( 0.0A)
ALA  A 167 ( 0.0A)
ALA  A 163 ( 0.0A)
 1.12A 2br4D-3ab7A:
2.2		 2br4D-3ab7A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e1t HALOGENASE

(Chondromyces
crocatus) 		PF04820
(Trp_halogenase) 		5 LEU A  10
GLY A  19
SER A 121
ALA A 167
ALA A 304
 None
 1.16A 2br4D-3e1tA:
undetectable		 2br4D-3e1tA:
20.97
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.
3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN

(Aeropyrum
pernix) 		PF13458
(Peripla_BP_6) 		5 LEU A 270
LEU A 176
SER A 178
CYH A 418
ALA A 202
 None
 1.03A 2br4D-3eafA:
4.2		 2br4D-3eafA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Brucella
melitensis) 		PF00793
(DAHP_synth_1) 		5 LEU A 264
LEU A  50
GLY A  53
ALA A  22
ALA A 234
 None
 1.11A 2br4D-3fs2A:
undetectable		 2br4D-3fs2A:
20.32
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.
3g5s METHYLENETETRAHYDROF
OLATE--TRNA-(URACIL-
5-)-METHYLTRANSFERAS
E TRMFO

(Thermus
thermophilus) 		PF01134
(GIDA) 		5 LEU A 141
GLU A  31
GLY A   8
ALA A 132
ALA A 334
 FAD  A 444 ( 4.0A)
FAD  A 444 (-2.7A)
FAD  A 444 (-3.3A)
None
None
 1.00A 2br4D-3g5sA:
undetectable		 2br4D-3g5sA:
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.
3h3e UNCHARACTERIZED
PROTEIN TM1679

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		5 LEU A  69
LEU A  39
GLU A  18
GLY A  33
ALA A  93
 None
 1.15A 2br4D-3h3eA:
undetectable		 2br4D-3h3eA:
24.74
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.
3kgk ARSENICAL RESISTANCE
OPERON TRANS-ACTING
REPRESSOR ARSD

(Escherichia
coli) 		PF06953
(ArsD) 		5 LEU A  78
GLY A  99
ARG A  96
ALA A  95
ALA A  92
 None
 0.90A 2br4D-3kgkA:
undetectable		 2br4D-3kgkA:
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.
3kvd LIPOPROTEIN

(Neisseria
meningitidis) 		PF08794
(Lipoprot_C) 		5 LEU D 111
LEU D 101
GLY D 197
ARG D 145
ALA D 173
 None
 1.17A 2br4D-3kvdD:
undetectable		 2br4D-3kvdD:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3loo ANOPHELES GAMBIAE
ADENOSINE KINASE

(Anopheles
gambiae) 		PF00294
(PfkB) 		5 LEU A  98
GLY A  90
ASP A  92
ALA A 139
ALA A 138
 None
 1.16A 2br4D-3looA:
3.2		 2br4D-3looA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lsc TRIAZINE HYDROLASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		5 LEU A 335
LEU A 339
GLY A 321
ALA A 294
ALA A 273
 None
 0.98A 2br4D-3lscA:
undetectable		 2br4D-3lscA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mhp FERREDOXIN--NADP
REDUCTASE, LEAF
ISOZYME,
CHLOROPLASTIC

(Pisum sativum) 		PF00175
(NAD_binding_1) 		5 LEU A 194
GLY A 167
CYH A 108
ALA A 169
ALA A  92
 None
None
None
FAD  A 999 ( 4.0A)
None
 1.16A 2br4D-3mhpA:
3.6		 2br4D-3mhpA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nda SERPIN-2

(Ixodes ricinus) 		PF00079
(Serpin) 		5 LEU A 164
LEU A 106
GLY A  47
SER A 109
ALA A 300
 None
 1.07A 2br4D-3ndaA:
undetectable		 2br4D-3ndaA:
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.
3nfb BETA-PEPTIDYL
AMINOPEPTIDASE

(Sphingosinicella
xenopeptidilytica) 		PF03576
(Peptidase_S58) 		5 LEU A 340
GLY A 185
SER A 343
ALA A 335
ALA A 331
 None
 1.13A 2br4D-3nfbA:
undetectable		 2br4D-3nfbA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nks PROTOPORPHYRINOGEN
OXIDASE

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 LEU A 294
GLU A  34
GLY A   9
ALA A 285
ALA A 447
 None
FAD  A 479 (-3.0A)
FAD  A 479 (-3.3A)
None
None
 1.13A 2br4D-3nksA:
2.1		 2br4D-3nksA:
20.25
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.
3pmo UDP-3-O-[3-HYDROXYMY
RISTOYL] GLUCOSAMINE
N-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00132
(Hexapep)
PF04613
(LpxD) 		5 LEU A  92
GLY A  10
TYR A   7
ALA A  13
ALA A  18
 None
 1.11A 2br4D-3pmoA:
undetectable		 2br4D-3pmoA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qmn HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE

(Vibrio cholerae) 		PF01648
(ACPS) 		5 LEU A  31
GLY A  46
SER A  42
ALA A  50
ALA A  10
 None
None
CL  A 128 ( 4.6A)
None
MPD  A2570 (-3.6A)
 1.02A 2br4D-3qmnA:
undetectable		 2br4D-3qmnA:
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.
3s5s MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Sorangium
cellulosum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  92
GLY A 101
SER A  96
ALA A 102
ALA A  53
 None
 1.11A 2br4D-3s5sA:
undetectable		 2br4D-3s5sA:
21.50
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.
3t5o COMPLEMENT COMPONENT
C6

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00084
(Sushi)
PF00090
(TSP_1)
PF01823
(MACPF) 		5 LEU A 135
GLU A 149
GLY A 139
ARG A 210
ALA A 157
 None
CD  A1001 (-3.1A)
None
None
None
 1.18A 2br4D-3t5oA:
undetectable		 2br4D-3t5oA:
13.29
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.
3u9r METHYLCROTONYL-COA
CARBOXYLASE,
BETA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		5 LEU B 545
LEU B 302
TYR B 365
ASP B 340
ALA B 360
 None
 1.12A 2br4D-3u9rB:
undetectable		 2br4D-3u9rB:
17.77
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.
3ue1 PENICILLIN-BINDING
PROTEIN 1A

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		5 LEU A 253
GLU A 247
GLY A 246
SER A 251
ALA A  40
 None
 1.17A 2br4D-3ue1A:
undetectable		 2br4D-3ue1A:
15.24
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.
3ut2 CATALASE-PEROXIDASE
2

(Magnaporthe
oryzae) 		PF00141
(peroxidase) 		5 LEU A 564
LEU A 511
GLY A 590
ALA A 520
ALA A 524
 None
 1.03A 2br4D-3ut2A:
undetectable		 2br4D-3ut2A:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vo2 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Zea mays) 		PF00175
(NAD_binding_1) 		5 LEU A 200
GLY A 173
CYH A 114
ALA A 175
ALA A  98
 None
None
None
FAD  A 401 ( 4.0A)
None
 1.18A 2br4D-3vo2A:
2.5		 2br4D-3vo2A:
20.87
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.
3w5v FERREDOXIN

(Zea mays) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 LEU A 200
GLY A 173
CYH A 114
ALA A 175
ALA A  98
 None
None
None
FAD  A 401 ( 4.0A)
None
 1.13A 2br4D-3w5vA:
3.3		 2br4D-3w5vA:
19.00
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.
3wxo CATALASE-PEROXIDASE

(Synechococcus
elongatus) 		PF00141
(peroxidase) 		5 LEU A 510
LEU A 457
GLY A 529
ALA A 466
ALA A 470
 None
 1.06A 2br4D-3wxoA:
undetectable		 2br4D-3wxoA:
16.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4asy GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Pseudomonas
aeruginosa) 		PF00483
(NTP_transferase) 		5 LEU A  88
LEU A 106
GLY A 109
ASP A 110
ALA A   9
 None
 0.90A 2br4D-4asyA:
undetectable		 2br4D-4asyA:
24.22
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.
4c1o BETA-XYLOSIDASE

(Parageobacillus
thermoglucosidasius) 		PF03512
(Glyco_hydro_52) 		5 LEU A 230
LEU A 110
GLY A  69
TYR A  67
ALA A 181
 None
 1.03A 2br4D-4c1oA:
undetectable		 2br4D-4c1oA:
14.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis) 		PF00141
(peroxidase) 		5 LEU A 521
LEU A 467
GLY A 548
ALA A 476
ALA A 480
 None
 0.92A 2br4D-4c51A:
undetectable		 2br4D-4c51A:
15.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4duu PLASMINOGEN

(Homo sapiens) 		PF00024
(PAN_1)
PF00051
(Kringle)
PF00089
(Trypsin) 		6 LEU A 745
GLY A 742
TYR A 774
CYH A 604
ALA A 601
ALA A 602
 None
 1.43A 2br4D-4duuA:
undetectable		 2br4D-4duuA:
13.32
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.
4ex6 ALNB

(Streptomyces
sp. CM020) 		PF13419
(HAD_2) 		5 LEU A  20
LEU A  95
GLU A 101
GLY A 102
ALA A 217
 None
 1.12A 2br4D-4ex6A:
2.2		 2br4D-4ex6A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fnq ALPHA-GALACTOSIDASE
AGAB

(Geobacillus
stearothermophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 LEU A 119
GLY A 536
TYR A 253
ASP A 534
ARG A 532
 None
 0.97A 2br4D-4fnqA:
undetectable		 2br4D-4fnqA:
15.65
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.
4fqg TRANSCRIPTION
ELONGATION REGULATOR
1

(Homo sapiens) 		PF01846
(FF) 		5 LEU A  54
LEU A  16
GLY A  43
ARG A   5
ALA A   8
 None
 1.09A 2br4D-4fqgA:
undetectable		 2br4D-4fqgA:
22.80
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.
4fzw 2,3-DEHYDROADIPYL-CO
A HYDRATASE

(Escherichia
coli) 		PF00378
(ECH_1) 		6 LEU A  31
LEU A 110
GLY A  62
ARG A  81
ALA A  25
ALA A  22
 None
None
None
GOL  A 301 (-3.5A)
None
None
 1.44A 2br4D-4fzwA:
undetectable		 2br4D-4fzwA:
23.38
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.
4gym GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Conexibacter
woesei) 		no annotation 5 GLY A 122
ASP A 121
ARG A  56
ALA A  70
ALA A  68
 None
 1.15A 2br4D-4gymA:
undetectable		 2br4D-4gymA:
20.76
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.
4hdj OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMB

(Pseudomonas
aeruginosa) 		PF13360
(PQQ_2) 		5 LEU A 188
LEU A 245
GLY A 237
ASP A 235
ALA A 316
 None
 1.16A 2br4D-4hdjA:
undetectable		 2br4D-4hdjA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i6f SERINE/THREONINE-PRO
TEIN KINASE PLK2

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 206
GLU A 250
GLY A 258
SER A 248
ALA A 259
 None
 1.06A 2br4D-4i6fA:
undetectable		 2br4D-4i6fA:
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.
4jg2 PHAGE-RELATED
PROTEIN

(Bacillus cereus) 		PF10991
(DUF2815) 		5 LEU A  81
GLU A  87
GLY A  84
ASP A  85
ALA A  92
 None
 1.08A 2br4D-4jg2A:
undetectable		 2br4D-4jg2A:
19.76
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.
4kg7 PEPTIDASE S8 AND
S53, SUBTILISIN,
KEXIN, SEDOLISIN

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 LEU A 327
LEU A 337
GLY A 127
SER A 314
ASP A 122
 None
 1.01A 2br4D-4kg7A:
undetectable		 2br4D-4kg7A:
20.52
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.
4kv7 PROBABLE
LEUCINE/ISOLEUCINE/V
ALINE-BINDING
PROTEIN

(Rhodopirellula
baltica) 		PF13458
(Peripla_BP_6) 		5 LEU A 315
LEU A 337
GLY A 343
ALA A  77
ALA A  81
 None
 1.16A 2br4D-4kv7A:
3.4		 2br4D-4kv7A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ky0 PROTON/GLUTAMATE
SYMPORTER, SDF
FAMILY

(Thermococcus
kodakarensis) 		PF00375
(SDF) 		5 LEU A 342
LEU A 346
GLY A 322
ARG A 107
ALA A 329
 None
 1.18A 2br4D-4ky0A:
undetectable		 2br4D-4ky0A:
18.63
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.
4l4i RYANODINE RECEPTOR 2

(Mus musculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		5 LEU A 436
LEU A 447
GLY A 519
ALA A 515
ALA A 512
 None
 1.15A 2br4D-4l4iA:
undetectable		 2br4D-4l4iA:
16.43
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.
4tr2 SUBTILISIN-LIKE 1
SERINE PROTEASE

(Plasmodium
vivax) 		PF00082
(Peptidase_S8) 		5 LEU A 545
GLY A 373
TYR A 371
SER A 535
ASP A 368
 None
 1.04A 2br4D-4tr2A:
undetectable		 2br4D-4tr2A:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u98 MALTOKINASE

(Mycolicibacterium
vanbaalenii) 		PF01636
(APH) 		5 LEU A 292
LEU A 447
GLY A 403
ASP A 402
ALA A 345
 None
 1.01A 2br4D-4u98A:
undetectable		 2br4D-4u98A:
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.
4uoz BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 LEU A 254
LEU A 263
GLY A 162
ALA A  93
ALA A  57
 None
 1.09A 2br4D-4uozA:
undetectable		 2br4D-4uozA:
16.43
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.
4uul L-LACTATE
DEHYDROGENASE

(Trichomonas
vaginalis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  11
SER A  21
ASP A  41
ARG A  48
ALA A  87
 None
 1.14A 2br4D-4uulA:
4.7		 2br4D-4uulA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xg0 UNCHARACTERIZED
PROTEIN

(Bordetella
bronchiseptica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 LEU A 296
LEU A 324
GLY A 332
ALA A 331
ALA A 233
 None
 1.16A 2br4D-4xg0A:
undetectable		 2br4D-4xg0A:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		5 GLU A  71
GLY A  73
TYR A  75
SER A  79
ALA A 145
 SAM  A1001 ( 4.4A)
SAM  A1001 (-3.3A)
SAM  A1001 (-4.8A)
SAM  A1001 (-2.7A)
SAM  A1001 ( 3.5A)
 1.10A 2br4D-4ymgA:
13.9		 2br4D-4ymgA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aa5 NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK

(Cupriavidus
necator) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		6 LEU A 129
LEU A 168
GLY A 163
TYR A 167
ALA A 146
ALA A 142
 None
 1.46A 2br4D-5aa5A:
undetectable		 2br4D-5aa5A:
22.48
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.
5b5z PTLCIB4 H88A MUTANT

(Phaeodactylum
tricornutum) 		no annotation 5 GLY A  73
TYR A  99
CYH A 126
ALA A  72
ALA A 129
 None
None
ZN  A 500 (-2.3A)
None
None
 1.15A 2br4D-5b5zA:
2.3		 2br4D-5b5zA:
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.
5c3m PUTATIVE
6-PHOSPHO-BETA-GLUCO
SIDASE

(Geobacillus
stearothermophilus) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 LEU A 423
LEU A 427
GLY A 398
TYR A 400
ALA A 392
 None
 1.18A 2br4D-5c3mA:
5.4		 2br4D-5c3mA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h35 MEMBRANE PROTEIN
TRIC

(Sulfolobus
solfataricus) 		PF03458
(UPF0126) 		5 LEU C 117
GLY C 108
SER C 114
ALA C 126
ALA C 157
 None
 1.12A 2br4D-5h35C:
undetectable		 2br4D-5h35C:
23.33
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.
5h35 MEMBRANE PROTEIN
TRIC

(Sulfolobus
solfataricus) 		PF03458
(UPF0126) 		5 LEU C 140
LEU C  37
GLY C 133
SER C  19
ALA C  44
 None
 1.01A 2br4D-5h35C:
undetectable		 2br4D-5h35C:
23.33
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.
5h5j FERREDOXIN--NADP
REDUCTASE

(Zea mays) 		PF00175
(NAD_binding_1) 		5 LEU A 204
GLY A 177
CYH A 113
ALA A 179
ALA A  97
 None
None
None
FAD  A 401 ( 4.4A)
None
 1.16A 2br4D-5h5jA:
3.9		 2br4D-5h5jA:
20.32
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.
5idt GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Burkholderia
vietnamiensis) 		PF00483
(NTP_transferase) 		5 LEU A  89
LEU A 107
GLY A 110
ASP A 111
ALA A  10
 None
None
None
THM  A 301 (-3.1A)
None
 0.95A 2br4D-5idtA:
undetectable		 2br4D-5idtA:
20.40
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.
5irm UNCHARACTERIZED
PROTEIN

(Oryctolagus
cuniculus) 		PF05729
(NACHT)
PF13516
(LRR_6) 		5 LEU A 968
LEU A 983
GLY A 958
ALA A 928
ALA A 926
 None
 1.05A 2br4D-5irmA:
undetectable		 2br4D-5irmA:
13.61
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.
5jd4 LAE6

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 LEU A 210
GLY A  89
SER A  40
ALA A 162
ALA A 165
 BAM  A 407 (-4.3A)
BAM  A 407 (-3.4A)
None
BAM  A 407 (-3.2A)
None
 0.99A 2br4D-5jd4A:
3.2		 2br4D-5jd4A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		5 LEU A 528
LEU A 475
GLY A 555
ALA A 484
ALA A 488
 None
 1.01A 2br4D-5kqiA:
undetectable		 2br4D-5kqiA:
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		6 GLU A  99
GLY A 101
TYR A 103
SER A 107
ASP A 125
ALA A 178
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
SAM  A 301 (-2.8A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.7A)
 1.07A 2br4D-5kvaA:
13.1		 2br4D-5kvaA:
23.61
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.
5lj6 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Aggregatibacter
actinomycetemcomitans) 		no annotation 5 LEU A  28
LEU A  49
SER A  44
ALA A  37
ALA A 209
 None
None
ATP  A 701 (-4.0A)
None
None
 1.03A 2br4D-5lj6A:
undetectable		 2br4D-5lj6A:
15.96
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.
5lj9 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Escherichia
coli) 		no annotation 5 LEU A  29
LEU A  50
SER A  45
ALA A  38
ALA A 210
 None
 1.01A 2br4D-5lj9A:
undetectable		 2br4D-5lj9A:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5log PUTATIVE
O-METHYLTRANSFERASE

(Myxococcus
xanthus) 		PF01596
(Methyltransf_3) 		5 GLU A  65
GLY A  67
SER A  73
ASP A  91
ALA A 143
 SAH  A1001 ( 4.4A)
SAH  A1001 (-3.5A)
SAH  A1001 (-2.7A)
SAH  A1001 (-2.8A)
SAH  A1001 (-3.7A)
 1.16A 2br4D-5logA:
12.5		 2br4D-5logA:
24.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m1t MUCR
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF00563
(EAL) 		5 LEU A 539
GLU A 502
GLY A 501
SER A 542
ALA A 491
 None
 0.86A 2br4D-5m1tA:
undetectable		 2br4D-5m1tA:
21.28
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.
5mms CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		PF00291
(PALP) 		5 LEU A  81
GLY A 153
SER A 117
CYH A 165
ALA A 155
 None
 1.17A 2br4D-5mmsA:
2.8		 2br4D-5mmsA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o1m RUBBER OXYGENASE

(Streptomyces
sp. K30) 		PF09995
(DUF2236) 		5 LEU A 140
LEU A 331
GLU A 348
GLY A 324
ARG A 320
 None
 1.17A 2br4D-5o1mA:
undetectable		 2br4D-5o1mA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uh0 MEMBRANE-BOUND LYTIC
MUREIN
TRANSGLYCOSYLASE F

(Yersinia pestis) 		PF00497
(SBP_bac_3) 		5 LEU A 209
LEU A 216
GLY A 201
ASP A 202
ALA A 154
 None
 1.03A 2br4D-5uh0A:
undetectable		 2br4D-5uh0A:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ws4 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Acinetobacter
baumannii) 		no annotation 5 LEU A  31
LEU A  52
SER A  47
ALA A  40
ALA A 212
 None
None
AT4  A 801 (-4.1A)
None
None
 0.94A 2br4D-5ws4A:
undetectable		 2br4D-5ws4A:
16.22
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.
5x1y MERCURIC REDUCTASE

(Lysinibacillus
sphaericus) 		no annotation 5 LEU B 354
GLU B 114
GLY B  91
ALA B 218
ALA B 385
 FAD  B 601 (-4.6A)
FAD  B 601 (-2.6A)
FAD  B 601 (-3.3A)
FAD  B 601 ( 4.6A)
None
 1.07A 2br4D-5x1yB:
3.4		 2br4D-5x1yB:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xep CHITINASE-3-LIKE
PROTEIN 1

(Mus musculus) 		no annotation 5 LEU A  95
LEU A  67
GLY A  98
ALA A 139
ALA A 178
 None
 1.06A 2br4D-5xepA:
undetectable		 2br4D-5xepA:
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.
1as4 ANTICHYMOTRYPSIN

(Homo sapiens) 		PF00079
(Serpin) 		3 LYS A 174
ASP A  47
ASP A 296
 None
 0.92A 2br4D-1as4A:
undetectable		 2br4D-1as4A:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cp2 NITROGENASE IRON
PROTEIN

(Clostridium
pasteurianum) 		PF00142
(Fer4_NifH) 		3 LYS A  14
ASP A  58
ASP A  38
 None
 0.69A 2br4D-1cp2A:
undetectable		 2br4D-1cp2A:
20.41
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.
1e0k DNA HELICASE

(Escherichia
virus T7) 		PF03796
(DnaB_C) 		3 LYS A 450
ASP A 526
ASP A 497
 None
 1.00A 2br4D-1e0kA:
undetectable		 2br4D-1e0kA:
20.32
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.
1e3e ALCOHOL
DEHYDROGENASE, CLASS
II

(Mus musculus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 LYS A  98
ASP A 336
ASP A 328
 None
 0.94A 2br4D-1e3eA:
5.3		 2br4D-1e3eA:
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.
1jx2 MYOSIN-2 HEAVY
CHAIN,DYNAMIN-A

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		3 LYS A 822
ASP A 805
ASP A 922
 None
 0.97A 2br4D-1jx2A:
undetectable		 2br4D-1jx2A:
11.51
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.
1kbl PYRUVATE PHOSPHATE
DIKINASE

([Clostridium]
symbiosum) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		3 LYS A 371
ASP A 232
ASP A 228
 None
 0.84A 2br4D-1kblA:
undetectable		 2br4D-1kblA:
12.46
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.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		3 LYS A 233
ASP A 446
ASP A 439
 None
 0.77A 2br4D-1lnsA:
undetectable		 2br4D-1lnsA:
14.66
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.
1oaz THIOREDOXIN 1

(Escherichia
coli) 		PF00085
(Thioredoxin) 		3 LYS A  50
ASP A  15
ASP A  26
 None
 0.92A 2br4D-1oazA:
undetectable		 2br4D-1oazA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1obh LEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2)
PF14795
(Leucyl-specific) 		3 LYS A 290
ASP A 347
ASP A 326
 None
NVA  A1818 (-3.1A)
None
 0.90A 2br4D-1obhA:
undetectable		 2br4D-1obhA:
14.47
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.
1q0u BSTDEAD

(Geobacillus
stearothermophilus) 		PF00270
(DEAD) 		3 LYS A 201
ASP A 139
ASP A 172
 None
 0.99A 2br4D-1q0uA:
2.8		 2br4D-1q0uA:
18.11
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.
1tjl DNAK SUPPRESSOR
PROTEIN

(Escherichia
coli) 		PF01258
(zf-dskA_traR) 		3 LYS A 101
ASP A 137
ASP A 133
 None
 0.91A 2br4D-1tjlA:
undetectable		 2br4D-1tjlA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v2x TRNA (GM18)
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		3 LYS A  90
ASP A 104
ASP A 137
 None
 0.94A 2br4D-1v2xA:
2.1		 2br4D-1v2xA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vff BETA-GLUCOSIDASE

(Pyrococcus
horikoshii) 		PF00232
(Glyco_hydro_1) 		3 LYS A 294
ASP A 221
ASP A 289
 None
 0.87A 2br4D-1vffA:
undetectable		 2br4D-1vffA:
19.50
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.
1wa5 IMPORTIN ALPHA
SUBUNIT
IMPORTIN ALPHA
RE-EXPORTER

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00514
(Arm)
PF01749
(IBB)
PF16186
(Arm_3)
PF03378
(CAS_CSE1)
PF03810
(IBN_N)
PF08506
(Cse1) 		3 LYS B 401
ASP C 215
ASP B 441
 None
 0.97A 2br4D-1wa5B:
undetectable		 2br4D-1wa5B:
17.97
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.
1zh8 OXIDOREDUCTASE

(Thermotoga
maritima) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		3 LYS A 101
ASP A 211
ASP A 186
 NAP  A 400 (-3.2A)
NA  A 329 (-2.8A)
NAP  A 400 ( 4.7A)
 0.98A 2br4D-1zh8A:
3.0		 2br4D-1zh8A:
20.34
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.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		3 LYS A1110
ASP A 716
ASP A1120
 None
 1.01A 2br4D-2b39A:
undetectable		 2br4D-2b39A:
9.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus) 		PF04989
(CmcI) 		3 LYS A  65
ASP A 138
ASP A 160
 SAM  A 301 (-2.6A)
SAM  A 301 (-3.7A)
MG  A 300 ( 3.6A)
 0.19A 2br4D-2br4A:
34.9		 2br4D-2br4A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hev TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER 4
TUMOR NECROSIS
FACTOR RECEPTOR
SUPERFAMILY MEMBER 4

(Homo sapiens;
Homo sapiens) 		no annotation
PF00020
(TNFR_c6) 		3 LYS R  79
ASP F  90
ASP F 147
 None
 0.97A 2br4D-2hevR:
undetectable		 2br4D-2hevR:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i7d 5'(3')-DEOXYRIBONUCL
EOTIDASE, CYTOSOLIC
TYPE

(Homo sapiens) 		PF06941
(NT5C) 		3 LYS A 134
ASP A 185
ASP A 144
 ALF  A 400 (-2.8A)
None
ALF  A 400 ( 4.2A)
 0.99A 2br4D-2i7dA:
undetectable		 2br4D-2i7dA:
20.91
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.
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		3 LYS X 547
ASP X 349
ASP X 549
 None
 0.94A 2br4D-2iv2X:
2.7		 2br4D-2iv2X:
15.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lkm MORTALITY FACTOR
4-LIKE PROTEIN 1

(Homo sapiens) 		PF05712
(MRG) 		3 LYS B 188
ASP B 208
ASP B 196
 None
 0.81A 2br4D-2lkmB:
undetectable		 2br4D-2lkmB:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o1a IRON-REGULATED
SURFACE DETERMINANT
PROTEIN A

(Staphylococcus
aureus) 		PF05031
(NEAT) 		3 LYS A  35
ASP A  92
ASP A  40
 None
 0.89A 2br4D-2o1aA:
undetectable		 2br4D-2o1aA:
15.85
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.
2p8e PPM1B BETA ISOFORM
VARIANT 6

(Homo sapiens) 		PF00481
(PP2C) 		3 LYS A 243
ASP A 114
ASP A  60
 OCS  A 242 (-3.0A)
None
MG  A 306 (-2.5A)
 0.99A 2br4D-2p8eA:
undetectable		 2br4D-2p8eA:
20.97
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.
2rgh ALPHA-GLYCEROPHOSPHA
TE OXIDASE

(Streptococcus
sp.) 		PF01266
(DAO)
PF16901
(DAO_C) 		3 LYS A 279
ASP A 337
ASP A 322
 None
 0.89A 2br4D-2rghA:
2.1		 2br4D-2rghA:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rh7 GREEN FLUORESCENT
PROTEIN

(Renilla
reniformis) 		PF01353
(GFP) 		3 LYS A 202
ASP A 101
ASP A  59
 None
 0.98A 2br4D-2rh7A:
undetectable		 2br4D-2rh7A:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE

(Acremonium
chrysogenum) 		PF00561
(Abhydrolase_1) 		3 LYS A 300
ASP A 135
ASP A 126
 None
 0.67A 2br4D-2vatA:
undetectable		 2br4D-2vatA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		3 LYS A  24
ASP A 239
ASP A 288
 None
SAH  A 376 ( 4.2A)
SAH  A 376 (-4.1A)
 0.97A 2br4D-2zwvA:
8.9		 2br4D-2zwvA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3afg SUBTILISIN-LIKE
SERINE PROTEASE

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		3 LYS A 414
ASP A 398
ASP A 393
 None
 0.97A 2br4D-3afgA:
undetectable		 2br4D-3afgA:
15.98
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.
3bwv PUTATIVE
5'(3')-DEOXYRIBONUCL
EOTIDASE

(Staphylococcus
epidermidis) 		PF06941
(NT5C) 		3 LYS A 124
ASP A 169
ASP A 134
 None
None
MG  A 300 ( 4.6A)
 0.82A 2br4D-3bwvA:
undetectable		 2br4D-3bwvA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cjm PUTATIVE
BETA-LACTAMASE

(Enterococcus
faecalis) 		PF13354
(Beta-lactamase2) 		3 LYS A 198
ASP A 267
ASP A 211
 None
 1.00A 2br4D-3cjmA:
undetectable		 2br4D-3cjmA:
21.36
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.
3d8k PROTEIN PHOSPHATASE
2C

(Toxoplasma
gondii) 		PF00481
(PP2C) 		3 LYS A 311
ASP A 151
ASP A 168
 None
 0.74A 2br4D-3d8kA:
undetectable		 2br4D-3d8kA:
20.91
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.
3fk4 RUBISCO-LIKE PROTEIN

(Bacillus cereus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		3 LYS A 118
ASP A 354
ASP A 325
 None
 0.89A 2br4D-3fk4A:
undetectable		 2br4D-3fk4A:
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.
3fk5 3-OXOACYL-SYNTHASE
III

(Xanthomonas
oryzae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		3 LYS A 307
ASP A  56
ASP A  15
 None
 0.99A 2br4D-3fk5A:
undetectable		 2br4D-3fk5A:
22.22
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.
3iec SERINE/THREONINE-PRO
TEIN KINASE MARK2

(Homo sapiens) 		PF00069
(Pkinase)
PF00627
(UBA) 		3 LYS A 283
ASP A 311
ASP A 301
 None
 0.86A 2br4D-3iecA:
undetectable		 2br4D-3iecA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ksy SON OF SEVENLESS
HOMOLOG 1

(Homo sapiens) 		PF00125
(Histone)
PF00169
(PH)
PF00617
(RasGEF)
PF00618
(RasGEF_N)
PF00621
(RhoGEF) 		3 LYS A 728
ASP A 293
ASP A 285
 None
 0.98A 2br4D-3ksyA:
undetectable		 2br4D-3ksyA:
12.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kv6 JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 1D

(Homo sapiens) 		PF00628
(PHD)
PF02373
(JmjC) 		3 LYS A 221
ASP A  56
ASP A  76
 None
 0.94A 2br4D-3kv6A:
undetectable		 2br4D-3kv6A:
17.85
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.
3lm8 THIAMINE
PYROPHOSPHOKINASE

(Bacillus
subtilis) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		3 LYS A 119
ASP A  51
ASP A  83
 None
MG  A 225 (-3.8A)
None
 0.97A 2br4D-3lm8A:
undetectable		 2br4D-3lm8A:
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.
3lq1 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Listeria
monocytogenes) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		3 LYS A 233
ASP A 208
ASP A 338
 None
 0.87A 2br4D-3lq1A:
3.3		 2br4D-3lq1A:
18.77
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.
3odm PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Clostridium
perfringens) 		PF14010
(PEPcase_2) 		3 LYS A 428
ASP A 174
ASP A 305
 None
 0.94A 2br4D-3odmA:
undetectable		 2br4D-3odmA:
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.
3pdd GLYCOSIDE HYDROLASE,
FAMILY 9

(Ruminiclostridium
thermocellum) 		no annotation 3 LYS A  87
ASP A 128
ASP A 165
 None
 0.94A 2br4D-3pddA:
undetectable		 2br4D-3pddA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q9o EXOTOXIN A

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		3 LYS A 190
ASP A  34
ASP A  38
 None
 0.99A 2br4D-3q9oA:
undetectable		 2br4D-3q9oA:
17.70
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.
3rjt LIPOLYTIC PROTEIN
G-D-S-L FAMILY

(Alicyclobacillus
acidocaldarius) 		PF13472
(Lipase_GDSL_2) 		3 LYS A  19
ASP A  92
ASP A  17
 CSO  A  18 ( 3.2A)
None
CSO  A  18 ( 3.9A)
 1.00A 2br4D-3rjtA:
2.7		 2br4D-3rjtA:
23.60
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.
3ssm METHYLTRANSFERASE

(Micromonospora
griseorubida) 		no annotation 3 LYS A 175
ASP A 252
ASP A 275
 SAH  A 601 (-3.1A)
SAH  A 601 (-3.6A)
MG  A 501 ( 2.8A)
 0.90A 2br4D-3ssmA:
12.4		 2br4D-3ssmA:
23.08
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.
3sub ADP-RIBOSYLATION
FACTOR
GTPASE-ACTIVATING
PROTEIN

(Plasmodium
falciparum) 		PF01412
(ArfGap) 		3 LYS A 100
ASP A  31
ASP A  24
 None
 1.02A 2br4D-3subA:
undetectable		 2br4D-3subA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tex PROTECTIVE ANTIGEN

(Bacillus
anthracis) 		PF03495
(Binary_toxB)
PF07691
(PA14)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		3 LYS A 545
ASP A 599
ASP A 593
 None
 1.02A 2br4D-3texA:
undetectable		 2br4D-3texA:
14.61
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.
3vva ALTERNATIVE OXIDASE,
MITOCHONDRIAL

(Trypanosoma
brucei) 		PF01786
(AOX) 		3 LYS A 295
ASP A  56
ASP A  61
 None
 0.94A 2br4D-3vvaA:
undetectable		 2br4D-3vvaA:
23.46
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.
3won DIPEPTIDYL
AMINOPEPTIDASE BII

(Pseudoxanthomonas
mexicana) 		PF10459
(Peptidase_S46) 		3 LYS A 609
ASP A 336
ASP A 214
 None
 0.90A 2br4D-3wonA:
undetectable		 2br4D-3wonA:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wwp (S)-HYDROXYNITRILE
LYASE

(Baliospermum
montanum) 		PF00561
(Abhydrolase_1) 		3 LYS A  21
ASP A 150
ASP A 165
 CIT  A 301 ( 4.9A)
None
None
 0.72A 2br4D-3wwpA:
2.2		 2br4D-3wwpA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zef PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		3 LYS B1690
ASP B1670
ASP B1700
 None
 0.90A 2br4D-3zefB:
undetectable		 2br4D-3zefB:
10.18
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.
3zgb PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Flaveria
pringlei) 		PF00311
(PEPcase) 		3 LYS A 613
ASP A 799
ASP A 712
 None
 0.98A 2br4D-3zgbA:
undetectable		 2br4D-3zgbA:
14.24
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.
4ak9 CPFTSY

(Physcomitrella
patens) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		3 LYS A 207
ASP A 338
ASP A 367
 None
 0.87A 2br4D-4ak9A:
undetectable		 2br4D-4ak9A:
18.83
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.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens;
Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF17205
(PSI_integrin) 		3 LYS B 384
ASP A 554
ASP A 560
 None
 1.01A 2br4D-4cakB:
undetectable		 2br4D-4cakB:
16.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d28 CBL-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 24

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		3 LYS A 259
ASP A 143
ASP A 120
 None
 0.99A 2br4D-4d28A:
undetectable		 2br4D-4d28A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h1g MALTOSE BINDING
PROTEIN-CAKAR3 MOTOR
DOMAIN FUSION
PROTEIN

(Escherichia
coli;
Candida
albicans) 		PF00225
(Kinesin)
PF13416
(SBP_bac_8) 		3 LYS A 645
ASP A-163
ASP A 515
 None
 0.89A 2br4D-4h1gA:
undetectable		 2br4D-4h1gA:
14.97
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.
4hr6 LECTIN
LECTIN

(Trichosanthes
anguina;
Trichosanthes
anguina) 		PF00161
(RIP)
PF00652
(Ricin_B_lectin) 		3 LYS B 179
ASP C 236
ASP C 146
 None
AMG  C 302 (-2.9A)
None
 0.99A 2br4D-4hr6B:
undetectable		 2br4D-4hr6B:
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.
4jd0 NUCLEOTIDYL
TRANSFERASE

(Thermotoga
maritima) 		PF00483
(NTP_transferase) 		3 LYS A 141
ASP A  30
ASP A 223
 None
 0.91A 2br4D-4jd0A:
undetectable		 2br4D-4jd0A:
20.38
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.
4jgv NUCLEAR RECEPTOR
SUBFAMILY 4 GROUP A
MEMBER 1

(Homo sapiens) 		PF00104
(Hormone_recep) 		3 LYS A 577
ASP A 436
ASP A 589
 None
 0.92A 2br4D-4jgvA:
undetectable		 2br4D-4jgvA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jja HYPOTHETICAL PROTEIN

(Bacteroides
fragilis) 		PF07075
(DUF1343) 		3 LYS A 366
ASP A 129
ASP A 169
 None
 0.90A 2br4D-4jjaA:
3.0		 2br4D-4jjaA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jyl ENOYL-COA HYDRATASE

(Thermoplasma
volcanium) 		PF00378
(ECH_1) 		3 LYS A 194
ASP A 180
ASP A 190
 None
 0.87A 2br4D-4jylA:
undetectable		 2br4D-4jylA:
24.40
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.
4l8n PDZ DOMAIN PROTEIN

(Parabacteroides
distasonis) 		PF00595
(PDZ)
PF13590
(DUF4136) 		3 LYS A 324
ASP A 343
ASP A 127
 None
 0.87A 2br4D-4l8nA:
undetectable		 2br4D-4l8nA:
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.
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		3 LYS A 487
ASP A  69
ASP A  23
 None
 0.83A 2br4D-4na3A:
undetectable		 2br4D-4na3A:
16.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nfu SENESCENCE-ASSOCIATE
D CARBOXYLESTERASE
101

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		3 LYS B 345
ASP B 450
ASP B 389
 None
 0.95A 2br4D-4nfuB:
undetectable		 2br4D-4nfuB:
17.25
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.
4pqg GLYCOSYLTRANSFERASE
GTF1

(Streptococcus
pneumoniae) 		PF00534
(Glycos_transf_1) 		3 LYS A  30
ASP A 313
ASP A 309
 None
 0.96A 2br4D-4pqgA:
3.2		 2br4D-4pqgA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q58 PLECTIN

(Homo sapiens) 		PF00307
(CH) 		3 LYS A  46
ASP A 189
ASP A 240
 None
 1.01A 2br4D-4q58A:
undetectable		 2br4D-4q58A:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qlz SJCHGC07024 PROTEIN

(Schistosoma
japonicum) 		PF00719
(Pyrophosphatase) 		3 LYS A 191
ASP A 105
ASP A 145
 None
None
CO  A 404 (-3.2A)
 0.83A 2br4D-4qlzA:
undetectable		 2br4D-4qlzA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rmp ALLOPHYCOCYANIN

(Phormidium
rubidum) 		PF00502
(Phycobilisome) 		3 LYS A   6
ASP A 154
ASP A 100
 None
 0.98A 2br4D-4rmpA:
undetectable		 2br4D-4rmpA:
24.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s38 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF04551
(GcpE) 		3 LYS A  72
ASP A 197
ASP A 107
 None
 1.00A 2br4D-4s38A:
undetectable		 2br4D-4s38A:
17.76
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.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		3 LYS A 573
ASP A 507
ASP A 502
 None
 0.87A 2br4D-4txgA:
undetectable		 2br4D-4txgA:
15.26
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.
4u8u GLOBIN A CHAIN
GLOBIN B CHAIN

(Glossoscolex
paulistus;
Glossoscolex
paulistus) 		PF00042
(Globin)
PF00042
(Globin) 		3 LYS B  12
ASP A  60
ASP B  79
 None
 1.00A 2br4D-4u8uB:
undetectable		 2br4D-4u8uB:
23.53
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.
4ylq COAGULATION FACTOR
VII

(Homo sapiens) 		PF00089
(Trypsin) 		3 LYS H  16
ASP H  60
ASP H 194
 None
0Z7  H 501 ( 4.2A)
None
 0.95A 2br4D-4ylqH:
undetectable		 2br4D-4ylqH:
20.08
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.
4yry DIHYDROOROTATE
DEHYDROGENASE B
(NAD(+)), ELECTRON
TRANSFER SUBUNIT
HOMOLOG
DIHYDROPYRIMIDINE
DEHYDROGENASE
SUBUNIT A

(Thermotoga
maritima;
Thermotoga
maritima) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6)
PF10418
(DHODB_Fe-S_bind)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		3 LYS A 197
ASP B 346
ASP A 254
 None
 0.98A 2br4D-4yryA:
3.6		 2br4D-4yryA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a2a APO FORM OF
ANOXYBACILLUS
ALPHA-AMYLASES

(Anoxybacillus
ayderensis) 		PF00128
(Alpha-amylase) 		3 LYS A 234
ASP A 116
ASP A 206
 None
 0.91A 2br4D-5a2aA:
undetectable		 2br4D-5a2aA:
19.39
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1
ANAPHASE-PROMOTING
COMPLEX SUBUNIT 5

(Homo sapiens;
Homo sapiens) 		PF12859
(ANAPC1)
PF12862
(ANAPC5) 		3 LYS O 566
ASP A  90
ASP A  86
 None
 0.88A 2br4D-5a31O:
undetectable		 2br4D-5a31O:
15.31
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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT C
EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT E

(Oryctolagus
cuniculus;
Oryctolagus
cuniculus) 		PF01399
(PCI)
PF05470
(eIF-3c_N)
PF01399
(PCI)
PF09440
(eIF3_N) 		3 LYS E 359
ASP C 814
ASP E 306
 None
 0.97A 2br4D-5a5tE:
undetectable		 2br4D-5a5tE:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d9n B-1,4-ENDOGLUCANASE

(Prevotella
bryantii) 		PF00150
(Cellulase) 		3 LYS A 214
ASP A 253
ASP A 241
 XYS  A 408 ( 2.9A)
None
XYS  A 408 ( 3.4A)
 1.01A 2br4D-5d9nA:
undetectable		 2br4D-5d9nA:
20.80
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.
5f75 THIOCYANATE
DEHYDROGENASE

(Thioalkalivibrio
paradoxus) 		no annotation 3 LYS A 284
ASP A 365
ASP A 243
 None
 0.97A 2br4D-5f75A:
undetectable		 2br4D-5f75A:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fcr COMPLEMENT FACTOR D

(Mus musculus) 		PF00089
(Trypsin) 		3 LYS A  16
ASP A  60
ASP A 194
 None
 0.91A 2br4D-5fcrA:
undetectable		 2br4D-5fcrA:
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.
5fdn PHOSPHOENOLPYRUVATE
CARBOXYLASE 3

(Arabidopsis
thaliana) 		PF00311
(PEPcase) 		3 LYS A 616
ASP A 802
ASP A 715
 None
 0.96A 2br4D-5fdnA:
undetectable		 2br4D-5fdnA:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fly FERRICHROME-BINDING
PERIPLASMIC PROTEIN

(Staphylococcus
pseudintermedius) 		PF01497
(Peripla_BP_2) 		3 LYS A  68
ASP A 253
ASP A  54
 None
 0.99A 2br4D-5flyA:
2.2		 2br4D-5flyA:
24.31
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT

(Escherichia
coli;
Escherichia
coli) 		PF00111
(Fer2)
PF01799
(Fer2_2)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		3 LYS C 620
ASP A 141
ASP C  23
 None
 1.01A 2br4D-5g5gC:
undetectable		 2br4D-5g5gC:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g5z ABC TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF01547
(SBP_bac_1) 		3 LYS A 239
ASP A 113
ASP A 251
 None
 0.74A 2br4D-5g5zA:
undetectable		 2br4D-5g5zA:
18.26
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.
5gnc AVH146

(Phytophthora
sojae) 		no annotation 3 LYS A 399
ASP A 325
ASP A 360
 None
 0.99A 2br4D-5gncA:
undetectable		 2br4D-5gncA:
18.41
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.
5gvt PLASMA KALLIKREIN

(Mus musculus) 		no annotation 3 LYS A  16
ASP A  60
ASP A 194
 None
 0.93A 2br4D-5gvtA:
undetectable		 2br4D-5gvtA:
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.
5hp5 PROTEIN-ARGININE
DEIMINASE TYPE-1

(Homo sapiens) 		PF03068
(PAD)
PF08526
(PAD_N)
PF08527
(PAD_M) 		3 LYS A 486
ASP A 548
ASP A 564
 None
 0.95A 2br4D-5hp5A:
undetectable		 2br4D-5hp5A:
14.22
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.
5i6g ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		3 LYS A1534
ASP A1646
ASP A1633
 None
 0.89A 2br4D-5i6gA:
undetectable		 2br4D-5i6gA:
11.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iww MULTIPLE ORGANELLAR
RNA EDITING FACTOR
9, CHLOROPLASTIC
PLS9-PPR

(Arabidopsis
thaliana;
unidentified) 		no annotation
PF12854
(PPR_1)
PF13041
(PPR_2) 		3 LYS D 181
ASP A 145
ASP A 164
 None
 0.96A 2br4D-5iwwD:
undetectable		 2br4D-5iwwD:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jpn COMPLEMENT C4-A

(Homo sapiens) 		PF00207
(A2M)
PF01821
(ANATO)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		3 LYS B1390
ASP B 973
ASP B 965
 NAG  B1509 ( 4.7A)
None
None
 0.81A 2br4D-5jpnB:
undetectable		 2br4D-5jpnB:
16.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k9x TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Legionella
pneumophila) 		PF00290
(Trp_syntA) 		3 LYS A 201
ASP A 266
ASP A 228
 None
 0.94A 2br4D-5k9xA:
undetectable		 2br4D-5k9xA:
21.20
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.
5li8 PUTATIVE CYTOCHROME
P450 126

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		3 LYS A 213
ASP A 124
ASP A 220
 None
 0.90A 2br4D-5li8A:
undetectable		 2br4D-5li8A:
22.22
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.
5lly DIGUANYLATE CYCLASE
(GGDEF)
DOMAIN-CONTAINING
PROTEIN

(Idiomarina sp.
A28L) 		no annotation 3 LYS D 425
ASP D 335
ASP D 504
 None
 0.98A 2br4D-5llyD:
undetectable		 2br4D-5llyD:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5log PUTATIVE
O-METHYLTRANSFERASE

(Myxococcus
xanthus) 		PF01596
(Methyltransf_3) 		3 LYS A 196
ASP A 119
ASP A 149
 None
SAH  A1001 (-3.8A)
None
 0.95A 2br4D-5logA:
12.6		 2br4D-5logA:
24.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n8o DNA HELICASE I

(Escherichia
coli) 		PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30) 		3 LYS A 512
ASP A 733
ASP A 469
 None
 1.01A 2br4D-5n8oA:
undetectable		 2br4D-5n8oA:
9.55
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.
5oex -

(-) 		no annotation 3 LYS A 284
ASP A 365
ASP A 243
 None
 0.94A 2br4D-5oexA:
undetectable		 2br4D-5oexA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vni PROTEIN TRANSPORT
PROTEIN SEC23A
PROTEIN TRANSPORT
PROTEIN SEC24A

(Homo sapiens;
Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS)
PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		3 LYS A 193
ASP B 550
ASP B 572
 None
 0.95A 2br4D-5vniA:
undetectable		 2br4D-5vniA:
16.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xcb PROBABLE SURFACE
PROTEIN

(Clostridium
perfringens) 		no annotation 3 LYS A 192
ASP A 315
ASP A 331
 None
 0.70A 2br4D-5xcbA:
undetectable		 2br4D-5xcbA:
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.
5xn6 OS07G0580900 PROTEIN
OS02G0668100 PROTEIN

(Oryza sativa;
Oryza sativa) 		PF00348
(polyprenyl_synt)
PF00348
(polyprenyl_synt) 		3 LYS A 255
ASP C 119
ASP A 168
 None
 0.85A 2br4D-5xn6A:
undetectable		 2br4D-5xn6A:
23.38
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.
5xtc NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT
8, MITOCHONDRIAL

(Homo sapiens) 		no annotation 3 LYS c  54
ASP c  68
ASP c  74
 None
 0.79A 2br4D-5xtcc:
undetectable		 2br4D-5xtcc:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xwq FUNGAL CHITINASE
FROM RHIZOMUCOR
MIEHEI (NATIVE
PROTEIN)

(Rhizomucor
miehei) 		no annotation 3 LYS A 410
ASP A 339
ASP A 402
 None
 0.87A 2br4D-5xwqA:
undetectable		 2br4D-5xwqA:
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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 3 LYS A  51
ASP A 249
ASP A 242
 None
 1.00A 2br4D-6eksA:
undetectable		 2br4D-6eksA:
15.87
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.
6f5d ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL
ATP SYNTHASE GAMMA
SUBUNIT

(Trypanosoma
brucei;
Trypanosoma
brucei) 		no annotation
no annotation 		3 LYS G   8
ASP A 283
ASP A 346
 None
 0.81A 2br4D-6f5dG:
undetectable		 2br4D-6f5dG:
undetectable