SIMILAR PATTERNS OF AMINO ACIDS FOR 4UBE_A_2FAA401_1

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.
1d6h CHALCONE SYNTHASE

(Medicago sativa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 SER A 339
GLY A 168
GLY A 167
PHE A 165
GLN A 162
 None
 1.10A 4ubeA-1d6hA:
undetectable		 4ubeA-1d6hA:
23.73
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.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii) 		PF00294
(PfkB) 		5 ASP A  24
GLY A  68
GLY A  69
ASN A  73
ASP A 318
 ADN  A 375 (-2.9A)
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 3.1A)
 0.40A 4ubeA-1dgmA:
27.4		 4ubeA-1dgmA:
25.75
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.
1e1k ADRENODOXIN
REDUCTASE

(Bos taurus) 		PF07992
(Pyr_redox_2) 		5 GLY A  45
GLY A  15
PHE A  44
PHE A  65
GLN A  23
 FAD  A 801 (-3.1A)
FAD  A 801 (-3.5A)
None
None
None
 1.22A 4ubeA-1e1kA:
5.3		 4ubeA-1e1kA:
25.74
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.
1fhq PROTEIN KINASE SPK1

(Saccharomyces
cerevisiae) 		PF00498
(FHA) 		5 ASP A 646
GLY A 706
GLY A 708
ASN A 704
GLN A 711
 None
 1.30A 4ubeA-1fhqA:
undetectable		 4ubeA-1fhqA:
16.52
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 SER A 107
GLY A 105
GLY A 106
ALA A 100
GLN A  83
 FAD  A 600 (-3.4A)
None
FAD  A 600 (-3.0A)
None
FAD  A 600 (-3.7A)
 1.09A 4ubeA-1gpeA:
4.2		 4ubeA-1gpeA:
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.
1ig0 THIAMIN
PYROPHOSPHOKINASE

(Saccharomyces
cerevisiae) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		5 SER A 202
GLY A 190
GLY A 191
PHE A 127
GLN A 198
 None
None
None
None
VIB  A 702 ( 4.5A)
 1.30A 4ubeA-1ig0A:
undetectable		 4ubeA-1ig0A:
19.44
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.
1j1i META CLEAVAGE
COMPOUND HYDROLASE

(Janthinobacterium) 		PF12697
(Abhydrolase_6) 		5 GLY A  46
GLY A  45
MET A  73
ALA A 118
GLN A  88
 None
 1.18A 4ubeA-1j1iA:
undetectable		 4ubeA-1j1iA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jmy BILE-SALT-ACTIVATED
LIPASE

(Homo sapiens) 		PF00135
(COesterase) 		5 GLY A 149
GLY A 146
PHE A 287
ALA A  67
GLN A  71
 None
 1.07A 4ubeA-1jmyA:
4.1		 4ubeA-1jmyA:
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.
1m1c MAJOR COAT PROTEIN

(Saccharomyces
cerevisiae
virus L-A) 		PF09220
(LA-virus_coat) 		5 SER A  21
ASP A 165
GLY A 145
GLY A  24
ALA A 600
 None
 1.29A 4ubeA-1m1cA:
undetectable		 4ubeA-1m1cA:
21.21
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.
1mi1 NEUROBEACHIN

(Homo sapiens) 		PF02138
(Beach)
PF14844
(PH_BEACH) 		5 GLY A2195
GLY A2192
PHE A2170
PHE A2229
ALA A2152
 None
 1.09A 4ubeA-1mi1A:
undetectable		 4ubeA-1mi1A:
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.
1on9 METHYLMALONYL-COA
CARBOXYLTRANSFERASE
12S SUBUNIT

(Propionibacterium
freudenreichii) 		PF01039
(Carboxyl_trans) 		5 SER A 117
GLY A 154
PHE A 159
ALA A 112
GLN A 103
 None
 1.12A 4ubeA-1on9A:
undetectable		 4ubeA-1on9A:
23.40
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.
1pem RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 2
ALPHA CHAIN

(Salmonella
enterica) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF08343
(RNR_N) 		5 SER A 201
GLY A 206
GLY A 205
PHE A 242
ALA A 245
 None
 1.30A 4ubeA-1pemA:
undetectable		 4ubeA-1pemA:
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.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		5 ASP A  16
GLY A  41
ASN A  46
ALA A 168
ASP A 255
 RIB  A 311 (-2.8A)
RIB  A 311 (-3.3A)
RIB  A 311 (-3.3A)
None
RIB  A 311 (-3.1A)
 1.05A 4ubeA-1rk2A:
34.7		 4ubeA-1rk2A:
25.97
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.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		6 SER A  12
ASP A  16
GLY A  41
GLY A  42
ASN A  46
ASP A 255
 None
RIB  A 311 (-2.8A)
RIB  A 311 (-3.3A)
RIB  A 311 (-3.4A)
RIB  A 311 (-3.3A)
RIB  A 311 (-3.1A)
 0.52A 4ubeA-1rk2A:
34.7		 4ubeA-1rk2A:
25.97
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.
1sqh HYPOTHETICAL PROTEIN
CG14615-PA

(Drosophila
melanogaster) 		PF08445
(FR47) 		5 GLY A 143
ASN A 302
ALA A 122
GLN A 120
GLN A  91
 None
 1.23A 4ubeA-1sqhA:
undetectable		 4ubeA-1sqhA:
22.93
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.
1t77 LIPOPOLYSACCHARIDE-R
ESPONSIVE AND
BEIGE-LIKE ANCHOR
PROTEIN

(Homo sapiens) 		PF02138
(Beach)
PF14844
(PH_BEACH) 		5 GLY A2131
GLY A2128
PHE A2106
PHE A2165
ALA A2088
 None
 1.14A 4ubeA-1t77A:
undetectable		 4ubeA-1t77A:
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.
1tz6 PUTATIVE SUGAR
KINASE

(Salmonella
enterica) 		PF00294
(PfkB) 		5 ASP A  16
GLY A  30
GLY A  31
ASN A  35
ASP A 252
 AIS  A 402 (-2.5A)
AIS  A 402 ( 4.2A)
AIS  A 402 (-3.8A)
AIS  A 402 (-3.9A)
AIS  A 402 (-3.0A)
 0.28A 4ubeA-1tz6A:
29.8		 4ubeA-1tz6A:
25.07
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.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ASP A  14
GLY A  39
ASN A  44
ALA A 159
ASP A 246
 None
 1.08A 4ubeA-1vm7A:
30.2		 4ubeA-1vm7A:
27.30
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.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		6 SER A  10
ASP A  14
GLY A  39
GLY A  40
ASN A  44
ASP A 246
 None
 0.71A 4ubeA-1vm7A:
30.2		 4ubeA-1vm7A:
27.30
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.
2abq FRUCTOSE 1-PHOSPHATE
KINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  36
GLY A  37
ASN A  41
ALA A 132
 None
 1.24A 4ubeA-2abqA:
25.3		 4ubeA-2abqA:
25.61
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.
2abq FRUCTOSE 1-PHOSPHATE
KINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  36
GLY A  37
ASN A  41
ASP A 249
 None
 0.38A 4ubeA-2abqA:
25.3		 4ubeA-2abqA:
25.61
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.
2aj4 GALACTOKINASE

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 SER A 460
GLY A 427
GLY A 462
ASN A 431
ALA A 455
 None
 1.07A 4ubeA-2aj4A:
undetectable		 4ubeA-2aj4A:
22.24
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.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  39
GLY A  40
ASN A  44
ASP A 261
 ACT  A 321 (-3.1A)
ACT  A 321 ( 4.3A)
ACT  A 321 (-3.9A)
ACT  A 321 (-3.9A)
None
 0.44A 4ubeA-2ajrA:
23.8		 4ubeA-2ajrA:
24.25
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.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		5 ASP A  17
GLY A  42
GLY A  43
ASN A  47
ALA A 137
 ADN  A1301 (-2.8A)
ADN  A1301 (-3.4A)
ADN  A1301 (-3.3A)
ADN  A1301 (-3.4A)
None
 1.23A 4ubeA-2c49A:
39.3		 4ubeA-2c49A:
27.78
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.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		6 ASP A  17
GLY A  42
GLY A  43
ASN A  47
PHE A 113
ASP A 247
 ADN  A1301 (-2.8A)
ADN  A1301 (-3.4A)
ADN  A1301 (-3.3A)
ADN  A1301 (-3.4A)
ADN  A1301 (-3.5A)
ADN  A1301 (-2.9A)
 0.28A 4ubeA-2c49A:
39.3		 4ubeA-2c49A:
27.78
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.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		6 ASP A  17
GLY A  42
GLY A  43
ASN A  47
PHE A 113
GLN A 163
 ADN  A1301 (-2.8A)
ADN  A1301 (-3.4A)
ADN  A1301 (-3.3A)
ADN  A1301 (-3.4A)
ADN  A1301 (-3.5A)
ADN  A1301 (-3.2A)
 0.83A 4ubeA-2c49A:
39.3		 4ubeA-2c49A:
27.78
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.
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY C 341
GLY C 340
ASN C 337
PHE C 189
GLN C 366
 None
 1.05A 4ubeA-2d3tC:
undetectable		 4ubeA-2d3tC:
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.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  36
GLY A  37
ASN A  41
ASP A 255
 None
None
None
None
ATP  A 411 (-4.1A)
 0.73A 4ubeA-2f02A:
24.3		 4ubeA-2f02A:
24.64
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.
2f17 THIAMIN
PYROPHOSPHOKINASE 1

(Mus musculus) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		5 GLY A 126
GLY A 127
PHE A 101
ALA A 137
GLN A 134
 None
AMP  A 301 (-3.1A)
AMP  A 301 (-4.8A)
None
PYI  A 902 ( 3.0A)
 1.14A 4ubeA-2f17A:
undetectable		 4ubeA-2f17A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 None
None
89I  A 500 (-3.5A)
None
None
 0.39A 4ubeA-2i6bA:
23.6		 4ubeA-2i6bA:
23.45
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.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 GLY A  63
GLY A  64
ASN A  68
ALA A 168
ASP A 300
 None
89I  A 500 (-3.5A)
None
None
None
 0.97A 4ubeA-2i6bA:
23.6		 4ubeA-2i6bA:
23.45
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.
2iex DIHYDROXYNAPTHOIC
ACID SYNTHETASE

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		5 SER A  72
ASP A  75
GLY A  74
GLY A  73
ALA A  69
 None
 1.22A 4ubeA-2iexA:
undetectable		 4ubeA-2iexA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jg5 FRUCTOSE 1-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  36
GLY A  37
ASN A  41
ASP A 249
 None
 0.64A 4ubeA-2jg5A:
24.2		 4ubeA-2jg5A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jg5 FRUCTOSE 1-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 GLY A  36
GLY A  37
ASN A  41
ALA A 132
ASP A 249
 None
 1.09A 4ubeA-2jg5A:
24.2		 4ubeA-2jg5A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ls0 ZOOCIN A
ENDOPEPTIDASE

(Streptococcus
equi) 		PF16775
(ZoocinA_TRD) 		5 ASP 1  59
GLY 1 111
GLY 1 112
PHE 1 108
ASP 1  52
 None
 0.85A 4ubeA-2ls01:
undetectable		 4ubeA-2ls01:
17.46
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.
2nwh CARBOHYDRATE KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		5 ASP A  13
GLY A  37
GLY A  38
ASN A  42
ASP A 253
 None
None
CL  A 403 (-3.5A)
None
None
 0.96A 4ubeA-2nwhA:
23.8		 4ubeA-2nwhA:
26.18
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.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A1402
ASN A1601
PHE A1024
GLN A1598
GLN A1577
 None
 1.16A 4ubeA-2pffA:
6.4		 4ubeA-2pffA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qcv PUTATIVE
5-DEHYDRO-2-DEOXYGLU
CONOKINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		5 ASP A  22
GLY A  43
GLY A  44
ASN A  48
ASP A 272
 None
None
None
None
PGE  A 332 (-3.6A)
 0.32A 4ubeA-2qcvA:
31.6		 4ubeA-2qcvA:
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		5 SER G 274
GLY G 161
GLY G 162
ASN G 165
GLN G 163
 None
 1.25A 4ubeA-2uv8G:
undetectable		 4ubeA-2uv8G:
10.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wnw ACTIVATED BY
TRANSCRIPTION FACTOR
SSRB

(Salmonella
enterica) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		5 SER A 205
GLY A 160
GLY A 159
ASN A 153
ASP A 155
 None
 1.21A 4ubeA-2wnwA:
undetectable		 4ubeA-2wnwA:
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.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A 381
GLY A 380
ASN A 378
ALA A 431
ASP A 487
 THM  A6510 (-3.6A)
THM  A6510 (-4.1A)
THM  A6510 (-3.4A)
None
THM  A6510 (-2.4A)
 1.14A 4ubeA-2z1aA:
undetectable		 4ubeA-2z1aA:
23.05
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.
3agr NUCLEOSIDE
TRIPHOSPHATE
HYDROLASE

(Neospora
caninum) 		PF01150
(GDA1_CD39) 		5 SER A  49
ASP A  46
GLY A  47
GLY A  48
ALA A 257
 None
 1.23A 4ubeA-3agrA:
undetectable		 4ubeA-3agrA:
20.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		8 SER A   8
ASP A  12
GLY A  47
GLY A  48
ASN A  52
PHE A 117
MET A 122
ASP A 253
 AMP  A 501 (-2.8A)
AMP  A 501 (-2.9A)
AMP  A 501 ( 3.7A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.5A)
AMP  A 501 (-3.6A)
AMP  A 501 (-2.8A)
 0.51A 4ubeA-3b1rA:
41.3		 4ubeA-3b1rA:
36.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		7 SER A   8
ASP A  12
GLY A  47
GLY A  48
PHE A 117
MET A 122
GLN A 169
 AMP  A 501 (-2.8A)
AMP  A 501 (-2.9A)
AMP  A 501 ( 3.7A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.5A)
AMP  A 501 (-3.6A)
AMP  A 501 (-3.4A)
 0.90A 4ubeA-3b1rA:
41.3		 4ubeA-3b1rA:
36.05
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.
3ce9 GLYCEROL
DEHYDROGENASE

(Clostridium
acetobutylicum) 		PF13685
(Fe-ADH_2) 		5 SER A 127
ASP A 101
GLY A 125
ASN A 123
ASP A 171
 None
None
None
None
ZN  A 400 (-2.3A)
 1.21A 4ubeA-3ce9A:
4.5		 4ubeA-3ce9A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ce9 GLYCEROL
DEHYDROGENASE

(Clostridium
acetobutylicum) 		PF13685
(Fe-ADH_2) 		5 SER A 128
ASP A 101
GLY A 125
ASN A 123
ASP A 171
 None
None
None
None
ZN  A 400 (-2.3A)
 1.15A 4ubeA-3ce9A:
4.5		 4ubeA-3ce9A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cv2 MALATE SYNTHASE A

(Escherichia
coli) 		PF01274
(Malate_synthase) 		5 GLY A 329
GLY A 328
ASN A 273
PHE A 379
GLN A 389
 None
 1.06A 4ubeA-3cv2A:
undetectable		 4ubeA-3cv2A:
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.
3czm L-LACTATE
DEHYDROGENASE

(Toxoplasma
gondii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASP A 143
GLY A 288
GLY A 193
ASN A 165
ASP A 168
 None
 1.04A 4ubeA-3czmA:
7.1		 4ubeA-3czmA:
22.40
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.
3ddr HASR PROTEIN

(Serratia
marcescens) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY A 214
GLY A 215
ASN A 492
GLN A 440
GLN A 438
 None
 1.22A 4ubeA-3ddrA:
undetectable		 4ubeA-3ddrA:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		5 ASP A  13
GLY A  33
GLY A  34
ASN A  38
ASP A 247
 None
 0.30A 4ubeA-3ewmA:
29.2		 4ubeA-3ewmA:
26.09
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.
3fah ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A 519
PHE A 333
ALA A 503
GLN A 335
GLN A 504
 None
 1.18A 4ubeA-3fahA:
undetectable		 4ubeA-3fahA:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fah ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A 577
ASN A 574
ALA A 503
GLN A 504
GLN A 335
 None
 1.00A 4ubeA-3fahA:
undetectable		 4ubeA-3fahA:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		6 SER A  21
ASP A  25
GLY A  50
GLY A  51
ASN A  55
ASP A 242
 RIB  A 305 ( 4.7A)
RIB  A 305 (-2.8A)
RIB  A 305 ( 3.7A)
RIB  A 305 (-3.1A)
RIB  A 305 (-3.2A)
RIB  A 305 (-2.9A)
 0.52A 4ubeA-3go7A:
31.0		 4ubeA-3go7A:
26.32
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.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		5 ASP A  33
GLY A  54
GLY A  55
ASN A  59
ASP A 275
 None
 0.45A 4ubeA-3hj6A:
25.2		 4ubeA-3hj6A:
24.52
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  37
GLY A  38
ASN A  42
ASP A 232
 None
 0.84A 4ubeA-3i3yA:
26.3		 4ubeA-3i3yA:
25.42
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.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH

(Escherichia
coli) 		PF00294
(PfkB) 		5 ASP A  15
GLY A  41
GLY A  42
ASN A  46
ASP A 260
 None
 0.74A 4ubeA-3in1A:
29.3		 4ubeA-3in1A:
25.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iuu PUTATIVE
METALLOPEPTIDASE

(Chelativorans
sp. BNC1) 		PF07171
(MlrC_C)
PF07364
(DUF1485) 		5 ASP A 310
GLY A 309
ALA A 461
GLN A 466
ASP A 298
 None
 1.17A 4ubeA-3iuuA:
5.3		 4ubeA-3iuuA:
23.24
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.
3kd6 CARBOHYDRATE KINASE,
PFKB FAMILY

(Chlorobaculum
tepidum) 		PF00294
(PfkB) 		6 SER A   8
ASP A  12
GLY A  26
GLY A  27
PHE A  81
ASP A 237
 AMP  A 509 (-2.7A)
AMP  A 509 (-2.8A)
AMP  A 509 ( 3.8A)
AMP  A 509 (-3.4A)
AMP  A 509 (-4.7A)
AMP  A 509 ( 3.3A)
 1.24A 4ubeA-3kd6A:
31.3		 4ubeA-3kd6A:
24.59
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.
3ljp CHOLINE OXIDASE

(Arthrobacter
globiformis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 SER A 210
GLY A  95
GLY A  94
MET A 516
ASP A  49
 None
FDA  A 547 (-3.2A)
None
None
None
 1.28A 4ubeA-3ljpA:
4.0		 4ubeA-3ljpA:
20.77
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.
3loo ANOPHELES GAMBIAE
ADENOSINE KINASE

(Anopheles
gambiae) 		PF00294
(PfkB) 		5 ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 B4P  A 349 (-2.8A)
B4P  A 349 ( 3.8A)
B4P  A 349 (-3.5A)
B4P  A 349 (-3.6A)
B4P  A 349 (-3.4A)
 0.29A 4ubeA-3looA:
28.5		 4ubeA-3looA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3otx ADENOSINE KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00294
(PfkB) 		5 ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.16A 4ubeA-3otxA:
27.7		 4ubeA-3otxA:
24.16
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.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		6 ASP A  19
GLY A  40
GLY A  41
ASN A  45
PHE A 111
ASP A 264
 None
 1.03A 4ubeA-3pl2A:
29.2		 4ubeA-3pl2A:
26.43
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.
3ry7 RIBOKINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		6 SER A  10
ASP A  14
GLY A  40
GLY A  41
ASN A  45
ASP A 254
 None
GOL  A 401 (-3.1A)
GOL  A 401 ( 3.7A)
GOL  A 401 (-3.8A)
GOL  A 401 (-3.9A)
None
 0.58A 4ubeA-3ry7A:
26.2		 4ubeA-3ry7A:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ty7 PUTATIVE ALDEHYDE
DEHYDROGENASE
SAV2122

(Staphylococcus
aureus) 		PF00171
(Aldedh) 		5 GLY A 269
PHE A 303
MET A 385
ALA A 264
GLN A 302
 None
 1.14A 4ubeA-3ty7A:
2.5		 4ubeA-3ty7A:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		5 ASP A  15
GLY A  58
GLY A  59
ASN A  63
ASP A 278
 ADN  A 353 (-2.8A)
ADN  A 353 (-3.3A)
ADN  A 353 (-3.2A)
ADN  A 353 (-3.4A)
ADN  A 353 (-3.3A)
 0.34A 4ubeA-3uboA:
31.1		 4ubeA-3uboA:
24.86
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.
3v5r PROTEIN GAL3

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 SER A 452
GLY A 419
GLY A 454
ASN A 423
ALA A 447
 None
 1.05A 4ubeA-3v5rA:
undetectable		 4ubeA-3v5rA:
22.73
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.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		5 ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 302
 ADN  A 401 (-2.7A)
ADN  A 401 ( 3.8A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
ADN  A 401 (-2.9A)
 0.27A 4ubeA-3vasA:
29.1		 4ubeA-3vasA:
22.78
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.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		5 GLY A  63
GLY A  64
ASN A  68
ALA A 167
ASP A 302
 ADN  A 401 ( 3.8A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
CL  A 402 ( 4.2A)
ADN  A 401 (-2.9A)
 0.83A 4ubeA-3vasA:
29.1		 4ubeA-3vasA:
22.78
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.
4bn2 KINESIN-LIKE PROTEIN
KIF15

(Homo sapiens) 		PF00225
(Kinesin) 		5 GLY A 203
GLY A 204
ASN A 207
MET A 106
ALA A 224
 None
 1.11A 4ubeA-4bn2A:
undetectable		 4ubeA-4bn2A:
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		5 ASP A  13
GLY A  56
GLY A  57
ASN A  61
ASP A 276
 ADN  A 500 (-2.7A)
ADN  A 500 (-3.5A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.5A)
ADN  A 500 (-2.8A)
 0.29A 4ubeA-4e3aA:
32.1		 4ubeA-4e3aA:
27.57
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.
4efh ACTIN-1

(Acanthamoeba
castellanii) 		PF00022
(Actin) 		5 SER A 300
GLY A 302
GLY A 301
ALA A 138
GLN A 137
 None
ADP  A 403 (-3.3A)
ADP  A 403 (-3.5A)
None
CA  A 401 ( 4.3A)
 1.26A 4ubeA-4efhA:
undetectable		 4ubeA-4efhA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ir8 SEDOHEPTULOSE-1,7
BISPHOSPHATASE,
PUTATIVE

(Toxoplasma
gondii) 		PF00316
(FBPase) 		5 ASP A  32
GLY A 191
GLY A  35
ASN A 190
ALA A  40
 None
 1.17A 4ubeA-4ir8A:
undetectable		 4ubeA-4ir8A:
22.57
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.
4l8k PUTATIVE PEPTIDASE

(Parabacteroides
merdae) 		PF03572
(Peptidase_S41)
PF14684
(Tricorn_C1) 		5 GLY A 265
GLY A 266
ASN A 244
PHE A  43
ASP A 245
 None
PO4  A 401 (-3.3A)
None
None
MPD  A 403 (-4.0A)
 1.26A 4ubeA-4l8kA:
undetectable		 4ubeA-4l8kA:
24.59
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.
4ng4 PHOSPHOGLYCERATE
KINASE

(Coxiella
burnetii) 		PF00162
(PGK) 		5 SER A 299
GLY A 295
ALA A 332
GLN A 328
ASP A 293
 None
None
None
None
MG  A 401 (-2.9A)
 0.95A 4ubeA-4ng4A:
undetectable		 4ubeA-4ng4A:
22.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pvv ADENOSINE KINASE

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 GLY A  48
ASN A  52
PHE A 102
PHE A 116
ASP A 257
 HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-3.9A)
HO4  A 401 (-3.6A)
HO4  A 401 (-3.3A)
 1.29A 4ubeA-4pvvA:
47.9		 4ubeA-4pvvA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pvv ADENOSINE KINASE

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		10 SER A   8
ASP A  12
GLY A  47
GLY A  48
ASN A  52
PHE A 102
PHE A 116
MET A 121
ALA A 146
ASP A 257
 HO4  A 401 (-2.8A)
HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-3.9A)
HO4  A 401 (-3.6A)
HO4  A 401 ( 3.9A)
HO4  A 401 (-4.3A)
HO4  A 401 (-3.3A)
 0.64A 4ubeA-4pvvA:
47.9		 4ubeA-4pvvA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pvv ADENOSINE KINASE

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		9 SER A   8
ASP A  12
GLY A  47
GLY A  48
PHE A 102
PHE A 116
ALA A 146
GLN A 172
ASP A 257
 HO4  A 401 (-2.8A)
HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.9A)
HO4  A 401 (-3.6A)
HO4  A 401 (-4.3A)
HO4  A 401 (-3.7A)
HO4  A 401 (-3.3A)
 0.90A 4ubeA-4pvvA:
47.9		 4ubeA-4pvvA:
99.69
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.
4q0k PHYTOHORMONE BINDING
PROTEIN MTPHBP

(Medicago
truncatula) 		PF00407
(Bet_v_1) 		5 GLY A  89
GLY A  90
ASN A  93
PHE A  58
ALA A  63
 None
GOL  A 202 (-3.6A)
None
GOL  A 202 (-3.8A)
GOL  A 202 (-3.6A)
 1.06A 4ubeA-4q0kA:
undetectable		 4ubeA-4q0kA:
17.74
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.
4rep GAMMA-CAROTENE
DESATURASE

(Nonlabens
dokdonensis) 		PF01593
(Amino_oxidase) 		5 GLY A 460
GLY A 461
ALA A 434
GLN A 298
ASP A 277
 FAD  A 501 ( 3.7A)
FAD  A 501 (-3.8A)
None
None
None
 1.16A 4ubeA-4repA:
3.6		 4ubeA-4repA:
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.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		5 ASP A  11
GLY A  29
GLY A  30
ASN A  34
ASP A 249
 None
None
None
None
ANP  A 401 ( 4.3A)
 0.50A 4ubeA-4wjmA:
27.9		 4ubeA-4wjmA:
26.05
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.
4x8f RIBOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 ASP A  13
GLY A  38
GLY A  39
ASN A  43
ASP A 252
 None
 0.56A 4ubeA-4x8fA:
29.2		 4ubeA-4x8fA:
27.73
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.
4x9x DEGV
DOMAIN-CONTAINING
PROTEIN MW1315

(Staphylococcus
aureus) 		PF02645
(DegV) 		5 SER A 264
ASP A  40
PHE A  49
ALA A 232
ASP A  13
 EDO  A 302 (-2.7A)
None
EDO  A 302 ( 4.8A)
EDO  A 302 (-2.7A)
OLA  A 301 ( 4.7A)
 1.20A 4ubeA-4x9xA:
undetectable		 4ubeA-4x9xA:
20.78
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.
4yjy CHALCONE SYNTHASE 1

(Oryza sativa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 SER A 342
GLY A 171
GLY A 170
PHE A 168
GLN A 165
 None
 1.09A 4ubeA-4yjyA:
undetectable		 4ubeA-4yjyA:
24.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a4j FORMATE--TETRAHYDROF
OLATE LIGASE

(Tepidanaerobacter
acetatoxydans) 		PF01268
(FTHFS) 		5 SER A 283
GLY A 272
GLY A 271
ALA A 286
ASP A 131
 None
 1.31A 4ubeA-5a4jA:
undetectable		 4ubeA-5a4jA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b4x LOW DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 8,
APOLIPOPROTEIN E
RECEPTOR, ISOFORM
CRA_E

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00058
(Ldl_recept_b)
PF07645
(EGF_CA)
PF14670
(FXa_inhibition) 		5 SER B 563
GLY B 569
GLY B 568
ASN B 567
ALA B 559
 None
 1.18A 4ubeA-5b4xB:
undetectable		 4ubeA-5b4xB:
22.07
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.
5c41 RIBOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 ASP A  27
GLY A  52
GLY A  53
ASN A  57
ASP A 269
 None
None
None
None
NA  A 403 ( 4.7A)
 0.49A 4ubeA-5c41A:
30.8		 4ubeA-5c41A:
27.91
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.
5c41 RIBOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 SER A  23
GLY A  52
GLY A  53
ASN A  57
ASP A 269
 None
None
None
None
NA  A 403 ( 4.7A)
 0.43A 4ubeA-5c41A:
30.8		 4ubeA-5c41A:
27.91
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.
5czz CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Staphylococcus
aureus) 		PF13395
(HNH_4)
PF16592
(Cas9_REC) 		5 GLY A 679
GLY A 678
ASN A 677
ALA A 479
ASP A 648
 None
 1.18A 4ubeA-5czzA:
undetectable		 4ubeA-5czzA:
15.09
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.
5ey7 FRUCTOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 ASP A  30
GLY A  44
GLY A  45
ASN A  49
ASP A 266
 None
 0.42A 4ubeA-5ey7A:
30.1		 4ubeA-5ey7A:
26.69
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.
5hx9 BETA-LACTAMASE

(Burkholderia
vietnamiensis) 		PF13354
(Beta-lactamase2) 		5 SER A 106
GLY A 135
GLY A 133
ASN A 136
ALA A 104
 None
EDO  A 303 ( 3.7A)
None
None
None
 1.30A 4ubeA-5hx9A:
undetectable		 4ubeA-5hx9A:
27.38
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.
5ihv BETA-LACTAMASE

(Burkholderia
ambifaria) 		PF13354
(Beta-lactamase2) 		5 SER A  83
GLY A 112
GLY A 110
ASN A 113
ALA A  81
 None
EDO  A 302 ( 4.8A)
None
None
None
 1.29A 4ubeA-5ihvA:
undetectable		 4ubeA-5ihvA:
25.74
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.
5mg3 PROTEIN TRANSLOCASE
SUBUNIT SECF

(Escherichia
coli) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 GLY F  55
GLY F  54
ALA F 143
GLN F 144
ASP F 196
 None
 1.19A 4ubeA-5mg3F:
undetectable		 4ubeA-5mg3F:
23.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mkk MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN

(Thermus
thermophilus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 SER A 311
ASN A 315
PHE A 257
PHE A 260
GLN A 308
 None
 1.26A 4ubeA-5mkkA:
undetectable		 4ubeA-5mkkA:
21.65
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.
5mpt CITRININ POLYKETIDE
SYNTHASE

(Monascus
purpureus) 		PF08242
(Methyltransf_12) 		5 GLY A1997
GLY A1996
PHE A2032
MET A2017
ALA A2027
 SAH  A2201 (-3.5A)
SAH  A2201 ( 4.3A)
None
None
None
 1.28A 4ubeA-5mptA:
undetectable		 4ubeA-5mptA:
20.75
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.
5tcs KINETOCHORE PROTEIN
NDC80

(Saccharomyces
cerevisiae) 		PF03801
(Ndc80_HEC) 		5 SER A 213
GLY A 211
GLY A 212
PHE A 218
GLN A 206
 None
 1.28A 4ubeA-5tcsA:
undetectable		 4ubeA-5tcsA:
21.04
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.
5yb7 L-AMINO ACID
OXIDASE/MONOOXYGENAS
E

(Pseudomonas sp.
AIU 813) 		no annotation 5 GLY A  90
ASN A  89
ALA A  96
GLN A  86
ASP A 457
 None
 1.26A 4ubeA-5yb7A:
3.2		 4ubeA-5yb7A:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ysq TM0415

(Thermotoga
maritima) 		no annotation 5 ASP A  11
GLY A  25
GLY A  26
GLN A 141
ASP A 234
 INS  A 301 (-2.7A)
INS  A 301 (-3.4A)
INS  A 301 (-3.8A)
INS  A 301 (-3.0A)
INS  A 301 ( 4.9A)
 1.21A 4ubeA-5ysqA:
26.3		 4ubeA-5ysqA:
14.33
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.
6cw5 RIBOKINASE

(Cryptococcus
neoformans) 		no annotation 6 SER A  12
ASP A  16
GLY A  41
GLY A  42
ASN A  46
ASP A 273
 None
GOL  A 400 (-2.8A)
GOL  A 400 (-3.5A)
GOL  A 400 (-3.3A)
GOL  A 400 (-3.3A)
None
 0.48A 4ubeA-6cw5A:
32.1		 4ubeA-6cw5A:
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.
6eua ANGIOPOIETIN-RELATED
PROTEIN 3

(Homo sapiens) 		no annotation 5 SER A 399
GLY A 401
GLY A 400
ASN A 412
PHE A 295
 None
 1.30A 4ubeA-6euaA:
undetectable		 4ubeA-6euaA:
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.
6f9n CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 1

(Homo sapiens) 		no annotation 5 SER A 504
GLY A1343
GLY A 473
ASN A 471
ALA A 511
 None
 1.30A 4ubeA-6f9nA:
undetectable		 4ubeA-6f9nA:
12.57