SIMILAR PATTERNS OF AMINO ACIDS FOR 2BR4_D_SAMD301_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.
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