SIMILAR PATTERNS OF AMINO ACIDS FOR 2BR4_C_SAMC301

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.
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
1.30A 2br4C-1bucA:
undetectable
2br4C-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.
1f26 NITRIC OXIDE
REDUCTASE


(Fusarium
oxysporum)
PF00067
(p450)
5 LEU A 237
LEU A 195
SER A 179
ALA A 187
ALA A 184
None
1.00A 2br4C-1f26A:
undetectable
2br4C-1f26A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i1q ANTHRANILATE
SYNTHASE COMPONENT I


(Salmonella
enterica)
PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N)
5 LEU A 208
LEU A 197
GLY A  77
ARG A 207
ALA A  58
None
1.10A 2br4C-1i1qA:
undetectable
2br4C-1i1qA:
17.92
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.
1ipf TROPINONE
REDUCTASE-II


(Datura
stramonium)
PF13561
(adh_short_C2)
5 GLY A  16
ARG A  41
ASP A  66
SER A  68
ALA A  95
NDP  A 261 (-3.4A)
NDP  A 261 (-3.6A)
NDP  A 261 (-4.1A)
NDP  A 261 ( 4.9A)
NDP  A 261 (-4.0A)
0.98A 2br4C-1ipfA:
5.8
2br4C-1ipfA:
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.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui)
PF00141
(peroxidase)
5 LEU A 511
LEU A 458
GLY A 538
ALA A 467
ALA A 471
None
0.92A 2br4C-1itkA:
undetectable
2br4C-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.
1mxf PTERIDINE REDUCTASE
2


(Trypanosoma
cruzi)
PF13561
(adh_short_C2)
5 GLY A  18
ARG A  43
ASP A  70
SER A  72
ALA A 102
NDP  A1277 ( 3.7A)
NDP  A1277 (-3.7A)
NDP  A1277 (-3.9A)
NDP  A1277 (-3.5A)
NDP  A1277 (-3.7A)
0.95A 2br4C-1mxfA:
4.8
2br4C-1mxfA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 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
0.99A 2br4C-1pc3A:
undetectable
2br4C-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
1.14A 2br4C-1qgzA:
3.7
2br4C-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.
1t5j HYPOTHETICAL PROTEIN
MJ1187


(Methanocaldococcus
jannaschii)
PF03747
(ADP_ribosyl_GH)
5 LEU A 139
GLY A 132
SER A 150
ALA A 167
ALA A 163
None
1.12A 2br4C-1t5jA:
undetectable
2br4C-1t5jA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ta9 GLYCEROL
DEHYDROGENASE


(Schizosaccharomyces
pombe)
PF00465
(Fe-ADH)
5 LEU A 367
CYH A 267
ASP A 232
ALA A 233
ALA A 297
None
None
ZN  A1502 (-2.1A)
None
None
1.14A 2br4C-1ta9A:
3.7
2br4C-1ta9A:
18.39
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2


(Streptomyces
coelicolor)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 GLY B   7
ARG B 245
ASP B  85
ALA B  82
ALA B  79
None
1.14A 2br4C-1tqyB:
undetectable
2br4C-1tqyB:
18.99
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1
ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2


(Streptomyces
coelicolor;
Streptomyces
coelicolor)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 LEU B 304
GLY B 393
ARG B 391
ASP A 141
ASP B 262
None
1.07A 2br4C-1tqyB:
undetectable
2br4C-1tqyB:
18.99
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.
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
0.99A 2br4C-1u2lA:
undetectable
2br4C-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.
1uzn 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE


(Mycobacterium
tuberculosis)
PF13561
(adh_short_C2)
5 GLY A  22
ARG A  47
ASP A  61
ALA A  89
ALA A 111
NAP  A1249 (-3.2A)
NAP  A1249 (-3.6A)
NAP  A1249 (-3.7A)
NAP  A1249 (-3.7A)
NAP  A1249 (-3.6A)
1.03A 2br4C-1uznA:
5.3
2br4C-1uznA:
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.
1vl8 GLUCONATE
5-DEHYDROGENASE


(Thermotoga
maritima)
PF13561
(adh_short_C2)
5 GLY A  16
ARG A  41
ASP A  67
SER A  69
ALA A  95
NAP  A 274 (-3.2A)
NAP  A 274 (-3.4A)
NAP  A 274 (-3.6A)
NAP  A 274 ( 4.7A)
NAP  A 274 (-3.2A)
0.83A 2br4C-1vl8A:
4.4
2br4C-1vl8A:
24.24
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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.)
PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5)
5 LEU A 342
LEU A 340
GLY A 387
TYR A 329
ALA A  87
None
1.12A 2br4C-1xc6A:
undetectable
2br4C-1xc6A:
14.01
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.
1xg5 ARPG836

(Homo sapiens)
PF00106
(adh_short)
5 GLY A  18
ARG A  43
ASP A  70
SER A  72
ALA A  98
NAP  A1301 (-3.5A)
NAP  A1301 (-3.8A)
NAP  A1301 (-3.8A)
NAP  A1301 ( 4.3A)
NAP  A1301 (-3.6A)
0.94A 2br4C-1xg5A:
6.3
2br4C-1xg5A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xhl SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY MEMBER
(5L265), PUTATIVE
TROPINONE
REDUCTASE-II


(Caenorhabditis
elegans)
PF13561
(adh_short_C2)
5 GLY A  13
ARG A  38
ARG A  42
ASP A  66
ALA A  94
NDP  A1278 (-3.1A)
NDP  A1278 (-3.6A)
NDP  A1278 (-2.8A)
NDP  A1278 (-3.4A)
NDP  A1278 (-3.9A)
0.89A 2br4C-1xhlA:
5.3
2br4C-1xhlA:
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.
1xkq SHORT-CHAIN
REDUCTASE FAMILY
MEMBER (5D234)


(Caenorhabditis
elegans)
PF13561
(adh_short_C2)
5 GLY A  13
ARG A  38
ARG A  42
ASP A  66
ALA A  94
NDP  A1281 (-2.9A)
NDP  A1281 (-3.8A)
NDP  A1281 (-2.7A)
NDP  A1281 (-3.6A)
NDP  A1281 (-3.7A)
0.87A 2br4C-1xkqA:
5.4
2br4C-1xkqA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yb1 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE
TYPE XI


(Homo sapiens)
PF00106
(adh_short)
5 GLY A  38
ASP A  88
CYH A  89
SER A  90
ALA A 116
CL  A 402 ( 3.7A)
CL  A 405 ( 4.9A)
CL  A 405 (-4.6A)
None
CL  A 402 ( 4.1A)
0.91A 2br4C-1yb1A:
5.4
2br4C-1yb1A:
18.52
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.
1zjy R-SPECIFIC ALCOHOL
DEHYDROGENASE


(Lactobacillus
brevis)
PF13561
(adh_short_C2)
5 GLY A  13
ARG A  38
ASP A  62
SER A  64
ALA A  90
NAI  A1270 (-2.9A)
NAI  A1270 (-4.6A)
NAI  A1270 (-3.1A)
None
NAI  A1270 (-3.2A)
1.06A 2br4C-1zjyA:
6.0
2br4C-1zjyA:
21.95
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.
2b4q RHAMNOLIPIDS
BIOSYNTHESIS
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE


(Pseudomonas
aeruginosa)
PF13561
(adh_short_C2)
5 GLY A  16
ARG A  41
ASP A  65
SER A  67
ALA A  93
NAP  A1901 (-3.2A)
NAP  A1901 (-3.6A)
NAP  A1901 (-3.8A)
NAP  A1901 (-4.0A)
NAP  A1901 (-3.8A)
0.87A 2br4C-2b4qA:
4.9
2br4C-2b4qA:
20.82
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.
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 2br4C-2b5oA:
3.8
2br4C-2b5oA:
21.78
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.
2bd0 SEPIAPTERIN
REDUCTASE


(Chlorobaculum
tepidum)
PF00106
(adh_short)
5 GLY A   9
ARG A  41
ASP A  66
SER A  68
ALA A  94
NAP  A 800 (-3.2A)
NAP  A 800 (-3.4A)
NAP  A 800 (-3.6A)
NAP  A 800 ( 4.1A)
NAP  A 800 (-3.6A)
0.91A 2br4C-2bd0A:
7.0
2br4C-2bd0A:
24.36
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
GLY A  89
TYR A  91
ARG A 117
ARG A 121
ASP A 138
CYH A 139
SER A 140
ASP A 160
ALA A 161
ALA A 163
SAM  A 301 ( 4.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.7A)
SAM  A 301 (-2.9A)
None
MG  A 300 ( 3.6A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 3.7A)
0.51A 2br4C-2br4A:
35.7
2br4C-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
0.99A 2br4C-2cx9A:
undetectable
2br4C-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.
2dc5 GLUTATHIONE
S-TRANSFERASE, MU 7


(Mus musculus)
PF02798
(GST_N)
PF14497
(GST_C_3)
5 LEU A  28
LEU A  87
ARG A  39
ASP A  16
ALA A  21
None
1.11A 2br4C-2dc5A:
undetectable
2br4C-2dc5A:
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.
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
1.10A 2br4C-2e6mA:
undetectable
2br4C-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
1.14A 2br4C-2fbvA:
undetectable
2br4C-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.
2fr1 ERYTHROMYCIN
SYNTHASE, ERYAI


(Saccharopolyspora
erythraea)
PF08659
(KR)
5 GLY A1672
ARG A1698
ASP A1726
ALA A1753
ALA A1775
NDP  A 301 ( 4.0A)
NDP  A 301 (-3.9A)
NDP  A 301 (-3.4A)
NDP  A 301 ( 3.7A)
NDP  A 301 (-3.3A)
0.84A 2br4C-2fr1A:
6.0
2br4C-2fr1A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.02A 2br4C-2h1yA:
undetectable
2br4C-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.
2h26 T-CELL SURFACE
GLYCOPROTEIN CD1B


(Homo sapiens)
PF07654
(C1-set)
PF16497
(MHC_I_3)
5 LEU A 259
GLY A 254
ARG A 222
ASP A 253
ALA A 252
None
1.12A 2br4C-2h26A:
undetectable
2br4C-2h26A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iou PERTACTIN
EXTRACELLULAR DOMAIN


(Bordetella
bronchiseptica)
PF03212
(Pertactin)
6 LEU G 231
LEU G 256
GLY G 245
SER G 217
ALA G 222
ALA G 213
None
1.49A 2br4C-2iouG:
undetectable
2br4C-2iouG:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iq1 PROTEIN PHOSPHATASE
2C KAPPA, PPM1K


(Homo sapiens)
PF00481
(PP2C)
5 LEU A 258
LEU A 269
GLY A 265
CYH A 138
ALA A 190
None
1.14A 2br4C-2iq1A:
undetectable
2br4C-2iq1A:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kqk NIFU-LIKE PROTEIN

(Escherichia
coli)
PF01592
(NifU_N)
5 LEU A 109
GLY A  30
SER A 123
ALA A 116
ALA A 119
None
1.07A 2br4C-2kqkA:
undetectable
2br4C-2kqkA:
21.01
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.
2pfe ALKALINE SERINE
PROTEASE


(Thermobifida
fusca)
PF00089
(Trypsin)
5 LEU A 242
LEU A 235
GLY A 211
SER A 134
ALA A 130
None
1.12A 2br4C-2pfeA:
undetectable
2br4C-2pfeA:
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.
2pge MENC

(Desulfotalea
psychrophila)
PF13378
(MR_MLE_C)
5 LEU A  81
LEU A  85
GLY A  44
ALA A 128
ALA A 124
None
1.06A 2br4C-2pgeA:
undetectable
2br4C-2pgeA:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qmo DETHIOBIOTIN
SYNTHETASE


(Helicobacter
pylori)
PF13500
(AAA_26)
5 LEU A  99
LEU A 138
GLY A 117
SER A  49
ALA A  51
None
1.02A 2br4C-2qmoA:
undetectable
2br4C-2qmoA:
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.
2qpm CYTOKININ
DEHYDROGENASE 1


(Zea mays)
PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind)
5 LEU A 107
GLY A 104
ASP A  60
ALA A 111
ALA A  99
None
FAD  A1535 (-3.3A)
None
FAD  A1535 ( 3.7A)
FAD  A1535 ( 4.3A)
1.05A 2br4C-2qpmA:
undetectable
2br4C-2qpmA:
18.52
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.
2r4j AEROBIC
GLYCEROL-3-PHOSPHATE
DEHYDROGENASE


(Escherichia
coli)
PF01266
(DAO)
PF16901
(DAO_C)
5 GLY A 422
ARG A 395
ASP A 394
ALA A 418
ALA A 399
None
1.06A 2br4C-2r4jA:
2.7
2br4C-2r4jA:
18.18
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.
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
1.07A 2br4C-2rekA:
undetectable
2br4C-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)
0.92A 2br4C-2vfvA:
undetectable
2br4C-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 2br4C-2vsuC:
undetectable
2br4C-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.
2waw MOBA RELATE PROTEIN

(Mycobacterium
sp. DSM 3803)
PF12804
(NTP_transf_3)
5 LEU A  49
GLY A 104
ASP A 155
SER A  82
ALA A  13
None
None
None
CSO  A  81 ( 4.5A)
None
1.12A 2br4C-2wawA:
undetectable
2br4C-2wawA:
21.26
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.
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)
1.11A 2br4C-3ab7A:
2.2
2br4C-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.
3aiv BETA-GLUCOSIDASE

(Secale cereale)
PF00232
(Glyco_hydro_1)
5 LEU A 311
SER A 339
ASP A 356
ALA A 357
ALA A 359
None
1.06A 2br4C-3aivA:
undetectable
2br4C-3aivA:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cwc PUTATIVE GLYCERATE
KINASE 2


(Salmonella
enterica)
PF02595
(Gly_kinase)
5 LEU A 183
LEU A 122
GLY A 115
ASP A 140
ALA A 148
None
1.05A 2br4C-3cwcA:
undetectable
2br4C-3cwcA:
21.78
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.
3ek1 ALDEHYDE
DEHYDROGENASE


(Brucella
abortus)
PF00171
(Aldedh)
5 LEU A 310
GLY A 277
ASP A 276
ALA A 274
ALA A 269
None
1.13A 2br4C-3ek1A:
3.1
2br4C-3ek1A:
16.77
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.
3f6m 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE


(Yersinia pestis)
PF02542
(YgbB)
5 GLY A  18
TYR A  29
ASP A  38
SER A  37
ALA A  35
None
1.09A 2br4C-3f6mA:
undetectable
2br4C-3f6mA:
20.16
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.
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 2br4C-3fs2A:
undetectable
2br4C-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.
3j3i CAPSID PROTEIN

(Penicillium
chrysogenum
virus)
no annotation 5 LEU A 375
GLY A 372
CYH A 324
SER A 323
ALA A 319
None
1.09A 2br4C-3j3iA:
undetectable
2br4C-3j3iA:
12.03
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.
3kb3 PROTEIN PHOSPHATASE
2C 16


(Arabidopsis
thaliana)
PF00481
(PP2C)
5 LEU B 394
LEU B 405
GLY B 401
CYH B 254
ALA B 329
None
1.13A 2br4C-3kb3B:
undetectable
2br4C-3kb3B:
22.32
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.
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
0.89A 2br4C-3kgkA:
undetectable
2br4C-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.
3l77 SHORT-CHAIN ALCOHOL
DEHYDROGENASE


(Thermococcus
sibiricus)
PF00106
(adh_short)
5 GLY A   8
ARG A  33
ASP A  59
SER A  61
ALA A  87
NJP  A 501 (-3.3A)
NJP  A 501 (-3.5A)
NJP  A 501 (-3.6A)
PG4  A 245 ( 4.1A)
NJP  A 501 (-3.5A)
0.85A 2br4C-3l77A:
6.0
2br4C-3l77A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lf2 SHORT CHAIN
OXIDOREDUCTASE
Q9HYA2


(Pseudomonas
aeruginosa)
PF13561
(adh_short_C2)
5 GLY A  15
ARG A  40
ARG A  44
ASP A  67
ALA A  95
NDP  A 301 (-3.2A)
NDP  A 301 (-3.7A)
NDP  A 301 (-3.9A)
NDP  A 301 (-3.6A)
NDP  A 301 (-3.6A)
0.88A 2br4C-3lf2A:
5.8
2br4C-3lf2A:
22.61
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.
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
0.99A 2br4C-3lscA:
undetectable
2br4C-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.
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
1.10A 2br4C-3pmoA:
undetectable
2br4C-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.
3q3v PHOSPHOGLYCERATE
KINASE


(Campylobacter
jejuni)
PF00162
(PGK)
5 LEU A  12
GLY A 172
TYR A  48
ASP A 180
ALA A 171
None
1.12A 2br4C-3q3vA:
undetectable
2br4C-3q3vA:
17.91
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.
3rxz POLYSACCHARIDE
DEACETYLASE


(Mycolicibacterium
smegmatis)
PF01522
(Polysacc_deac_1)
6 LEU A  65
LEU A  68
GLY A  98
ARG A  96
ALA A  95
ALA A 134
None
1.46A 2br4C-3rxzA:
undetectable
2br4C-3rxzA:
21.24
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.
3uhj PROBABLE GLYCEROL
DEHYDROGENASE


(Sinorhizobium
meliloti)
PF00465
(Fe-ADH)
5 LEU A 329
CYH A 230
ASP A 193
ALA A 194
ALA A 260
None
None
ZN  A 388 (-2.2A)
None
None
1.10A 2br4C-3uhjA:
undetectable
2br4C-3uhjA:
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.
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
0.98A 2br4C-3ut2A:
undetectable
2br4C-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.
3v9r UNCHARACTERIZED
PROTEIN YOL086W-A
UNCHARACTERIZED
PROTEIN YDL160C-A


(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae)
PF15630
(CENP-S)
PF09415
(CENP-X)
5 LEU A  14
LEU B   2
SER B  45
ASP B  35
ALA B  41
None
1.09A 2br4C-3v9rA:
undetectable
2br4C-3v9rA:
18.30
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.
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
1.11A 2br4C-3w5vA:
3.3
2br4C-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
1.04A 2br4C-3wxoA:
undetectable
2br4C-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.
3x0u UNCHARACTERIZED
PROTEIN


(Vibrio
parahaemolyticus)
PF03945
(Endotoxin_N)
5 TYR A 220
CYH A 239
ASP A 218
ALA A 215
ALA A 212
None
1.15A 2br4C-3x0uA:
undetectable
2br4C-3x0uA:
20.50
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.
4akk NITRATE REGULATORY
PROTEIN


(Klebsiella
oxytoca)
PF03861
(ANTAR)
PF08376
(NIT)
5 GLY A 328
ARG A 199
ARG A 375
SER A 133
ALA A 331
None
1.08A 2br4C-4akkA:
undetectable
2br4C-4akkA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4azc BETA-N-ACETYLHEXOSAM
INIDASE


(Streptococcus
pneumoniae)
PF00728
(Glyco_hydro_20)
5 GLY A 672
TYR A 706
ASP A 744
ALA A 745
ALA A 749
None
1.02A 2br4C-4azcA:
undetectable
2br4C-4azcA:
20.33
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.
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
1.04A 2br4C-4c1oA:
undetectable
2br4C-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
0.88A 2br4C-4c51A:
undetectable
2br4C-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.
4da1 PROTEIN PHOSPHATASE
1K, MITOCHONDRIAL


(Homo sapiens)
PF00481
(PP2C)
5 LEU A 258
LEU A 269
GLY A 265
CYH A 138
ALA A 190
None
1.14A 2br4C-4da1A:
undetectable
2br4C-4da1A:
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.
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
1.39A 2br4C-4duuA:
undetectable
2br4C-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.
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
1.06A 2br4C-4fqgA:
undetectable
2br4C-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.
4hdj OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMB


(Pseudomonas
aeruginosa)
PF13360
(PQQ_2)
5 LEU A 188
GLY A 237
ARG A 357
SER A 271
ALA A 254
None
1.14A 2br4C-4hdjA:
undetectable
2br4C-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.
4hst GLUTARYL-7-AMINOCEPH
ALOSPORANIC ACID
ACYLASE BETA CHAIN


(Pseudomonas)
PF01804
(Penicil_amidase)
5 ASP B 509
CYH B 510
ASP B 288
ALA B 287
ALA B 283
None
1.02A 2br4C-4hstB:
undetectable
2br4C-4hstB:
17.09
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.
4hyq PHOSPHOLIPASE A1

(Streptomyces
albidoflavus)
PF13472
(Lipase_GDSL_2)
5 GLY A  86
ASP A  10
SER A  11
ASP A  89
ALA A  88
None
None
1PE  A 301 ( 4.3A)
None
1PE  A 301 (-4.2A)
1.10A 2br4C-4hyqA:
2.1
2br4C-4hyqA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4imp POLYKETIDE SYNTHASE
EXTENDER MODULES 3-4


(Saccharopolyspora
spinosa)
PF08659
(KR)
5 GLY A 288
ARG A 314
ASP A 342
ALA A 365
ALA A 387
NDP  A1501 (-3.6A)
NDP  A1501 (-3.6A)
NDP  A1501 (-3.2A)
NDP  A1501 (-3.6A)
NDP  A1501 (-3.4A)
0.89A 2br4C-4impA:
undetectable
2br4C-4impA:
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.
4j1s POLYKETIDE SYNTHASE
PKSJ


(Bacillus
subtilis)
PF08659
(KR)
5 GLY A 188
ARG A 215
ASP A 242
SER A 244
ALA A 270
None
0.71A 2br4C-4j1sA:
4.8
2br4C-4j1sA:
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.
4j1s POLYKETIDE SYNTHASE
PKSJ


(Bacillus
subtilis)
PF08659
(KR)
5 LEU A 193
GLY A 188
ASP A 242
SER A 244
ALA A 270
None
1.01A 2br4C-4j1sA:
4.8
2br4C-4j1sA:
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.
4j2u ENOYL-COA HYDRATASE

(Rhodobacter
sphaeroides)
PF16113
(ECH_2)
5 LEU A 162
GLY A 170
ASP A 173
ALA A 174
ALA A 180
None
1.12A 2br4C-4j2uA:
undetectable
2br4C-4j2uA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l4x AMPHI

(Streptomyces
nodosus)
PF08659
(KR)
5 GLY A 284
ARG A 310
ASP A 338
ALA A 366
ALA A 388
NDP  A 601 (-3.3A)
NDP  A 601 (-3.1A)
NDP  A 601 (-3.4A)
NDP  A 601 (-4.1A)
NDP  A 601 ( 3.9A)
0.90A 2br4C-4l4xA:
2.3
2br4C-4l4xA:
19.20
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.
4r5z PUTATIVE
PHENYLALANINE
AMINOTRANSFERASE


(Mycobacterium
tuberculosis)
PF00155
(Aminotran_1_2)
5 LEU A  70
LEU A 200
GLY A 231
ASP A 240
ALA A 229
None
1.12A 2br4C-4r5zA:
3.2
2br4C-4r5zA:
21.23
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.
4rf3 NADPH DEPENDENT
R-SPECIFIC ALCOHOL
DEHYDROGENASE


(Lactobacillus
kefiri)
PF13561
(adh_short_C2)
5 GLY A  14
ARG A  39
ASP A  63
SER A  65
ALA A  91
None
0.98A 2br4C-4rf3A:
5.8
2br4C-4rf3A:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w91 AMINOTRANSFERASE

(Brucella suis)
PF00266
(Aminotran_5)
5 TYR A 111
ASP A 208
SER A 210
ALA A 105
ALA A 102
None
LLP  A 234 ( 2.5A)
LLP  A 234 ( 3.3A)
None
LLP  A 234 ( 3.8A)
1.10A 2br4C-4w91A:
3.8
2br4C-4w91A:
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.
4z1o PHOSPHORIBOSYLTRANSF
ERASE


(Sulfolobus
solfataricus)
PF00156
(Pribosyltran)
5 LEU A  90
LEU A  47
SER A 128
ALA A 121
ALA A  96
None
None
None
None
PRP  A 201 ( 4.6A)
0.96A 2br4C-4z1oA:
3.9
2br4C-4z1oA:
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.
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
1.15A 2br4C-5c3mA:
undetectable
2br4C-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.
5d2e MLNE

(Bacillus
velezensis)
PF08659
(KR)
5 GLY A 280
ARG A 306
ASP A 333
SER A 335
ALA A 361
NAP  A 601 (-3.5A)
NAP  A 601 (-3.7A)
NAP  A 601 (-3.6A)
GOL  A 602 (-3.6A)
NAP  A 601 (-3.5A)
0.73A 2br4C-5d2eA:
2.6
2br4C-5d2eA:
18.02
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.
5d3m ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA1


(Lactobacillus
delbrueckii)
PF00005
(ABC_tran)
5 LEU A 183
LEU A 167
ARG A 187
ASP A 266
ALA A 207
None
1.12A 2br4C-5d3mA:
undetectable
2br4C-5d3mA:
22.30
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.
5feu NOROXOMARITIDINE/NOR
CRAUGSODINE
REDUCTASE


(Narcissus
pseudonarcissus)
PF13561
(adh_short_C2)
5 GLY A  32
ARG A  57
ASP A  82
SER A  84
ALA A 111
NAP  A 301 (-3.3A)
NAP  A 301 (-3.5A)
NAP  A 301 (-3.7A)
NAP  A 301 ( 4.6A)
NAP  A 301 ( 3.8A)
0.75A 2br4C-5feuA:
5.8
2br4C-5feuA:
18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ff9 NOROXOMARITIDINE/NOR
CRAUGSODINE
REDUCTASE


(Narcissus
pseudonarcissus)
PF13561
(adh_short_C2)
5 GLY A  32
ARG A  57
ASP A  82
SER A  84
ALA A 111
NAP  A 301 (-3.3A)
NAP  A 301 (-3.9A)
NAP  A 301 (-3.6A)
NAP  A 301 ( 4.2A)
NAP  A 301 ( 3.8A)
0.78A 2br4C-5ff9A:
2.0
2br4C-5ff9A:
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.
5gwo PROBABLE PROTEIN
PHOSPHATASE 2C 50


(Oryza sativa)
PF00481
(PP2C)
5 LEU A 268
LEU A 279
GLY A 275
CYH A 129
ALA A 203
None
1.08A 2br4C-5gwoA:
undetectable
2br4C-5gwoA:
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.
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
1.10A 2br4C-5irmA:
undetectable
2br4C-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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei)
PF00141
(peroxidase)
5 LEU A 528
LEU A 475
GLY A 555
ALA A 484
ALA A 488
None
0.97A 2br4C-5kqiA:
undetectable
2br4C-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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN2


(Saccharomyces
cerevisiae)
PF01851
(PC_rep)
PF13646
(HEAT_2)
5 LEU N 591
GLY N 620
ASP N 647
ALA N 622
ALA N 656
None
1.10A 2br4C-5mpdN:
undetectable
2br4C-5mpdN:
12.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t2u OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN


(Mycolicibacterium
smegmatis)
PF13561
(adh_short_C2)
5 GLY A  12
ARG A  37
ARG A  41
ASP A  59
ALA A  83
NAP  A 301 (-3.3A)
NAP  A 301 (-3.5A)
NAP  A 301 (-3.0A)
NAP  A 301 (-3.8A)
NAP  A 301 ( 3.7A)
0.72A 2br4C-5t2uA:
5.4
2br4C-5t2uA:
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.
5u7x NOD FACTOR BINDING
LECTIN-NUCLEOTIDE
PHOSPHOHYDROLASE


(Vigna
unguiculata)
PF01150
(GDA1_CD39)
5 GLY F 210
TYR F 206
ARG F 208
SER F 241
ALA F 162
None
None
None
None
PO4  F 502 (-3.7A)
1.06A 2br4C-5u7xF:
undetectable
2br4C-5u7xF:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5upy INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE


(Listeria
monocytogenes)
PF00478
(IMPDH)
5 GLY A 301
ARG A 311
ASP A 326
CYH A 327
ASP A 341
None
None
None
None
IMP  A 500 (-2.6A)
1.05A 2br4C-5upyA:
undetectable
2br4C-5upyA:
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.
5uuw INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE


(Bacillus
anthracis)
PF00478
(IMPDH)
5 GLY A 301
ARG A 311
ASP A 326
CYH A 327
ASP A 341
None
None
None
None
IMP  A 501 (-2.4A)
1.05A 2br4C-5uuwA:
undetectable
2br4C-5uuwA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xww AMPHB

(Streptomyces
nodosus)
no annotation 5 GLY A 225
ARG A 251
ARG A 252
ALA A 306
ALA A 329
NAP  A 501 (-3.6A)
NAP  A 501 (-3.6A)
NAP  A 501 (-4.0A)
NAP  A 501 (-3.5A)
NAP  A 501 ( 3.7A)
1.05A 2br4C-5xwwA:
6.0
2br4C-5xwwA:
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.
5xww AMPHB

(Streptomyces
nodosus)
no annotation 5 GLY A 225
ARG A 251
ASP A 279
ALA A 306
ALA A 329
NAP  A 501 (-3.6A)
NAP  A 501 (-3.6A)
NAP  A 501 (-3.4A)
NAP  A 501 (-3.5A)
NAP  A 501 ( 3.7A)
0.80A 2br4C-5xwwA:
6.0
2br4C-5xwwA:
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.
6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE


(Brucella
abortus)
no annotation 6 LEU A 194
GLY A  13
ARG A  38
ASP A  60
SER A  62
ALA A  88
NAI  A 301 (-3.3A)
NAI  A 301 (-3.1A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.4A)
NAI  A 301 ( 4.4A)
NAI  A 301 (-3.7A)
1.12A 2br4C-6b9uA:
5.1
2br4C-6b9uA:
23.42
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)
4 LYS A  65
GLU A  87
SER A  95
ASP A 116
SAM  A 301 (-2.6A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.0A)
0.19A 2br4C-2br4A:
35.7
2br4C-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.
3e53 FATTY-ACID-COA
LIGASE FADD28


(Mycobacterium
tuberculosis)
PF00501
(AMP-binding)
4 LYS A 454
GLU A 348
SER A 375
ASP A 351
None
1.39A 2br4C-3e53A:
0.0
2br4C-3e53A:
17.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ssm METHYLTRANSFERASE

(Micromonospora
griseorubida)
no annotation 4 LYS A 175
GLU A 202
SER A 217
ASP A 234
SAH  A 601 (-3.1A)
SAH  A 601 (-3.4A)
SAH  A 601 (-3.2A)
SAH  A 601 (-2.8A)
0.76A 2br4C-3ssmA:
12.5
2br4C-3ssmA:
23.08