SIMILAR PATTERNS OF AMINO ACIDS FOR 4DC3_B_2FAB401

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii) 		PF00294
(PfkB) 		10 ASN A  20
ASP A  24
LEU A  46
GLY A  68
GLY A  69
ASN A  73
THR A 140
LEU A 142
GLY A 315
ASP A 318
 ADN  A 375 ( 3.8A)
ADN  A 375 (-2.9A)
None
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.81A 4dc3B-1dgmA:
41.4		 4dc3B-1dgmA:
31.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii) 		PF00294
(PfkB) 		6 LEU A  46
GLY A  68
ASN A  73
THR A 140
LEU A 142
GLY A 315
 None
ADN  A 375 ( 4.5A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
 1.38A 4dc3B-1dgmA:
41.4		 4dc3B-1dgmA:
31.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii) 		PF00294
(PfkB) 		6 LEU A  46
GLY A  68
GLY A  69
THR A 140
LEU A 142
GLY A 353
 None
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
None
None
 1.16A 4dc3B-1dgmA:
41.4		 4dc3B-1dgmA:
31.31
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.
1ga8 GALACTOSYL
TRANSFERASE LGTC

(Neisseria
meningitidis) 		PF01501
(Glyco_transf_8) 		6 LEU A 158
GLY A 198
GLY A 199
LEU A 120
ASN A 193
GLY A 194
 None
 1.48A 4dc3B-1ga8A:
2.0		 4dc3B-1ga8A:
19.95
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.
1jp4 3'(2'),5'-BISPHOSPHA
TE NUCLEOTIDASE

(Rattus
norvegicus) 		PF00459
(Inositol_P) 		5 ASP A 120
LEU A 270
GLY A 220
THR A 248
LEU A 262
 MG  A 701 (-3.1A)
None
AMP  A 601 (-3.5A)
None
None
 0.93A 4dc3B-1jp4A:
undetectable		 4dc3B-1jp4A:
23.56
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.
1qvr CLPB PROTEIN

(Thermus
thermophilus) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		6 LEU A 132
GLY A  96
VAL A 106
THR A 110
LEU A 101
GLY A  89
 None
 1.40A 4dc3B-1qvrA:
undetectable		 4dc3B-1qvrA:
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.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		5 ASP A  16
GLY A  41
GLY A  42
ASN A  46
ASP A 255
 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)
 0.39A 4dc3B-1rk2A:
33.0		 4dc3B-1rk2A:
25.06
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.
1rli TRP REPRESSOR
BINDING PROTEIN

(Bacillus
subtilis) 		PF03358
(FMN_red) 		6 LEU A 168
GLY A  13
GLY A  14
LEU A 162
ASN A   7
GLY A   9
 None
None
PT  A 606 ( 4.9A)
None
None
None
 1.26A 4dc3B-1rliA:
undetectable		 4dc3B-1rliA:
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.
1tz6 PUTATIVE SUGAR
KINASE

(Salmonella
enterica) 		PF00294
(PfkB) 		6 ASP A  16
GLY A  30
GLY A  31
ASN A  35
GLY A 249
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 ( 4.5A)
AIS  A 402 (-3.0A)
 0.43A 4dc3B-1tz6A:
31.1		 4dc3B-1tz6A:
27.82
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.
1ua4 ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
furiosus) 		PF04587
(ADP_PFK_GK) 		5 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.49A 4dc3B-1ua4A:
24.4		 4dc3B-1ua4A:
23.27
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.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		6 LEU A 170
GLY A  33
GLY A  34
ASN A  38
GLY A 248
ASP A 251
 None
 0.81A 4dc3B-1v19A:
28.3		 4dc3B-1v19A:
24.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		6 LEU A 170
GLY A  34
ASN A  38
LEU A 138
GLY A 248
ASP A 251
 None
 1.06A 4dc3B-1v19A:
28.3		 4dc3B-1v19A:
24.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ASP A  14
GLY A  39
GLY A  40
ASN A  44
ASP A 246
 None
 0.68A 4dc3B-1vm7A:
30.8		 4dc3B-1vm7A:
27.89
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.
1zfj INOSINE
MONOPHOSPHATE
DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 LEU A  44
GLY A 359
GLY A 360
THR A  36
LEU A  38
 None
 0.88A 4dc3B-1zfjA:
undetectable		 4dc3B-1zfjA:
22.04
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.
1zr6 GLUCOOLIGOSACCHARIDE
OXIDASE

(Sarocladium
strictum) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 LEU A 117
GLY A 107
GLY A 106
THR A 113
GLY A 137
 None
None
FAD  A 501 (-3.5A)
None
FAD  A 501 (-3.3A)
 0.91A 4dc3B-1zr6A:
undetectable		 4dc3B-1zr6A:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2abq FRUCTOSE 1-PHOSPHATE
KINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  36
GLY A  37
ASN A  41
GLY A 246
ASP A 249
 None
 0.39A 4dc3B-2abqA:
26.0		 4dc3B-2abqA:
24.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		7 LEU A 171
GLY A  32
GLY A  33
ASN A  37
LEU A 139
GLY A 277
ASP A 280
 None
 1.02A 4dc3B-2afbA:
27.4		 4dc3B-2afbA:
25.19
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.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		7 ASN A   8
ASP A  12
GLY A  39
GLY A  40
ASN A  44
GLY A 258
ASP A 261
 None
ACT  A 321 (-3.1A)
ACT  A 321 ( 4.3A)
ACT  A 321 (-3.9A)
ACT  A 321 (-3.9A)
None
None
 1.01A 4dc3B-2ajrA:
24.9		 4dc3B-2ajrA:
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.
2bnh RIBONUCLEASE
INHIBITOR

(Sus scrofa) 		PF13516
(LRR_6) 		6 ASN A 175
LEU A 157
GLY A 205
ASN A 232
LEU A 149
ASN A 210
 None
 1.48A 4dc3B-2bnhA:
undetectable		 4dc3B-2bnhA:
20.12
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.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		6 ASP A  17
GLY A  42
GLY A  43
ASN A  47
GLY A 244
ASP A 247
 ADN  A1301 (-2.8A)
ADN  A1301 (-3.4A)
ADN  A1301 (-3.3A)
ADN  A1301 (-3.4A)
None
ADN  A1301 (-2.9A)
 0.63A 4dc3B-2c49A:
29.2		 4dc3B-2c49A:
25.52
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.
2cw6 HYDROXYMETHYLGLUTARY
L-COA LYASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like) 		6 ASP A  42
LEU A  68
GLY A  43
VAL A  38
LEU A  63
GLY A 274
 MG  A 401 (-2.5A)
None
None
None
None
None
 1.45A 4dc3B-2cw6A:
3.1		 4dc3B-2cw6A:
21.22
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.
2epj GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Aeropyrum
pernix) 		PF00202
(Aminotran_3) 		5 GLY A 276
GLY A 275
VAL A 279
LEU A 101
GLY A  66
 None
 0.88A 4dc3B-2epjA:
undetectable		 4dc3B-2epjA:
22.56
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.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		6 ASN A   8
ASP A  12
GLY A  36
GLY A  37
GLY A 252
ASP A 255
 None
None
None
None
ATP  A 411 (-3.6A)
ATP  A 411 (-4.1A)
 1.10A 4dc3B-2f02A:
24.9		 4dc3B-2f02A:
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.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  36
GLY A  37
ASN A  41
GLY A 252
ASP A 255
 None
None
None
None
ATP  A 411 (-3.6A)
ATP  A 411 (-4.1A)
 0.96A 4dc3B-2f02A:
24.9		 4dc3B-2f02A:
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.
2f43 ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 ASP A 154
LEU A 352
GLY A 149
ASN A 185
VAL A 153
 None
 0.92A 4dc3B-2f43A:
2.1		 4dc3B-2f43A:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 ASN A 185
VAL A 189
THR A 166
LEU A 161
GLY A 175
 None
None
None
None
NAD  A5555 (-3.7A)
 0.90A 4dc3B-2fknA:
undetectable		 4dc3B-2fknA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 ASN A 185
VAL A 189
THR A 166
LEU A 161
GLY A 176
 None
 0.86A 4dc3B-2fknA:
undetectable		 4dc3B-2fknA:
21.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		9 ASN A  14
ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
None
89I  A 500 ( 4.8A)
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
None
 1.00A 4dc3B-2i6bA:
41.8		 4dc3B-2i6bA:
36.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jg5 FRUCTOSE 1-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  36
GLY A  37
ASN A  41
GLY A 246
ASP A 249
 None
 0.77A 4dc3B-2jg5A:
25.3		 4dc3B-2jg5A:
22.28
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.
2o2g DIENELACTONE
HYDROLASE

(Trichormus
variabilis) 		PF01738
(DLH) 		6 LEU A 184
GLY A 119
GLY A 124
VAL A 141
THR A 162
LEU A 164
 None
 1.09A 4dc3B-2o2gA:
6.0		 4dc3B-2o2gA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ppv UNCHARACTERIZED
PROTEIN

(Staphylococcus
epidermidis) 		PF01933
(UPF0052) 		5 LEU A  22
GLY A  10
ASN A 194
VAL A  60
LEU A  18
 None
 0.92A 4dc3B-2ppvA:
9.1		 4dc3B-2ppvA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qcv PUTATIVE
5-DEHYDRO-2-DEOXYGLU
CONOKINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		6 ASP A  22
GLY A  43
GLY A  44
ASN A  48
GLY A 269
ASP A 272
 None
None
None
None
None
PGE  A 332 (-3.6A)
 0.46A 4dc3B-2qcvA:
32.3		 4dc3B-2qcvA:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2tpt THYMIDINE
PHOSPHORYLASE

(Escherichia
coli) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 LEU A  98
GLY A  89
GLY A  88
THR A  94
GLY A 116
 None
 0.92A 4dc3B-2tptA:
3.3		 4dc3B-2tptA:
21.86
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.
2xpz LEUKOTRIENE A-4
HYDROLASE

(Saccharomyces
cerevisiae) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 ASN A 639
LEU A 671
GLY A 634
VAL A 665
GLY A 623
 None
 0.92A 4dc3B-2xpzA:
undetectable		 4dc3B-2xpzA:
20.57
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.
2z84 UFM1-SPECIFIC
PROTEASE 1

(Mus musculus) 		PF07910
(Peptidase_C78) 		5 ASP A 152
LEU A 127
GLY A 149
GLY A 148
LEU A 121
 None
 0.92A 4dc3B-2z84A:
undetectable		 4dc3B-2z84A:
17.24
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.
2zau SELENIDE, WATER
DIKINASE

(Aquifex
aeolicus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		6 LEU A 177
GLY A 297
ASN A 202
VAL A 293
THR A 174
ASN A  79
 None
 1.39A 4dc3B-2zauA:
undetectable		 4dc3B-2zauA:
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.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  47
GLY A  48
ASN A  52
GLY A 250
ASP A 253
 AMP  A 501 (-2.9A)
AMP  A 501 ( 3.7A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.4A)
AMP  A 501 (-2.8A)
 0.62A 4dc3B-3b1rA:
27.5		 4dc3B-3b1rA:
24.08
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.
3b3l KETOHEXOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 GLY A  40
GLY A  41
ASN A  45
GLY A 255
ASP A 258
 None
 0.61A 4dc3B-3b3lA:
27.2		 4dc3B-3b3lA:
23.12
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.
3c87 ENTEROCHELIN
ESTERASE

(Shigella
flexneri) 		PF00756
(Esterase)
PF11806
(DUF3327) 		5 LEU A 359
GLY A 279
GLY A 284
VAL A 301
LEU A 339
 None
 0.93A 4dc3B-3c87A:
3.4		 4dc3B-3c87A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		7 ASP A  13
LEU A 167
GLY A  33
GLY A  34
ASN A  38
GLY A 244
ASP A 247
 None
 1.03A 4dc3B-3ewmA:
31.0		 4dc3B-3ewmA:
23.99
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.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		7 ASP A  13
LEU A 167
GLY A  33
GLY A  34
ASN A  38
VAL A  90
ASP A 247
 None
 0.93A 4dc3B-3ewmA:
31.0		 4dc3B-3ewmA:
23.99
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.
3fk4 RUBISCO-LIKE PROTEIN

(Bacillus cereus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 LEU A 390
GLY A 372
GLY A 373
LEU A 402
GLY A 169
 None
 0.93A 4dc3B-3fk4A:
undetectable		 4dc3B-3fk4A:
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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		6 ASP A  25
GLY A  50
GLY A  51
ASN A  55
GLY A 239
ASP A 242
 RIB  A 305 (-2.8A)
RIB  A 305 ( 3.7A)
RIB  A 305 (-3.1A)
RIB  A 305 (-3.2A)
RIB  A 305 ( 4.5A)
RIB  A 305 (-2.9A)
 0.43A 4dc3B-3go7A:
27.4		 4dc3B-3go7A:
24.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		6 ASP A  33
LEU A 188
GLY A  54
GLY A  55
ASN A  59
ASP A 275
 None
 0.78A 4dc3B-3hj6A:
29.1		 4dc3B-3hj6A:
22.88
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.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		6 ASP A  33
LEU A 188
GLY A  54
GLY A  55
ASN A  59
VAL A 111
 None
 0.95A 4dc3B-3hj6A:
29.1		 4dc3B-3hj6A:
22.88
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  37
GLY A  38
ASN A  42
GLY A 229
ASP A 232
 None
 0.84A 4dc3B-3i3yA:
25.9		 4dc3B-3i3yA:
26.00
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  37
GLY A  38
ASN A  42
THR A 107
 None
 0.66A 4dc3B-3i3yA:
25.9		 4dc3B-3i3yA:
26.00
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.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH

(Escherichia
coli) 		PF00294
(PfkB) 		6 ASP A  15
GLY A  41
GLY A  42
ASN A  46
GLY A 257
ASP A 260
 None
None
None
None
NA  A 411 ( 4.9A)
None
 0.78A 4dc3B-3in1A:
30.4		 4dc3B-3in1A:
26.56
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.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH

(Escherichia
coli) 		PF00294
(PfkB) 		6 ASP A  15
GLY A  42
ASN A  46
LEU A 118
GLY A 257
ASP A 260
 None
None
None
None
NA  A 411 ( 4.9A)
None
 1.07A 4dc3B-3in1A:
30.4		 4dc3B-3in1A:
26.56
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.
3kd6 CARBOHYDRATE KINASE,
PFKB FAMILY

(Chlorobaculum
tepidum) 		PF00294
(PfkB) 		6 ASP A  12
LEU A 101
GLY A  26
GLY A  27
GLY A 234
ASP A 237
 AMP  A 509 (-2.8A)
None
AMP  A 509 ( 3.8A)
AMP  A 509 (-3.4A)
AMP  A 509 (-3.3A)
AMP  A 509 ( 3.3A)
 1.40A 4dc3B-3kd6A:
27.5		 4dc3B-3kd6A:
25.38
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.
3kzh PROBABLE SUGAR
KINASE

(Clostridium
perfringens) 		PF00294
(PfkB) 		5 GLY A  42
GLY A  43
ASN A  47
GLY A 254
ASP A 257
 None
 0.39A 4dc3B-3kzhA:
27.1		 4dc3B-3kzhA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lki FRUCTOKINASE

(Xylella
fastidiosa) 		PF00294
(PfkB) 		5 ASP A  24
GLY A  44
GLY A  45
ASN A  49
ASP A 270
 None
 0.70A 4dc3B-3lkiA:
26.8		 4dc3B-3lkiA:
24.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3loo ANOPHELES GAMBIAE
ADENOSINE KINASE

(Anopheles
gambiae) 		PF00294
(PfkB) 		10 ASN A  14
ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
LEU A 137
ASN A 296
GLY A 297
ASP A 300
 B4P  A 349 ( 4.0A)
B4P  A 349 (-2.8A)
None
B4P  A 349 ( 3.8A)
B4P  A 349 (-3.5A)
B4P  A 349 (-3.6A)
None
B4P  A 349 (-3.6A)
B4P  A 349 (-2.9A)
B4P  A 349 (-3.4A)
 0.71A 4dc3B-3looA:
47.5		 4dc3B-3looA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3otx ADENOSINE KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00294
(PfkB) 		8 ASN A  13
ASP A  17
LEU A  39
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.42A 4dc3B-3otxA:
45.5		 4dc3B-3otxA:
30.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3otx ADENOSINE KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00294
(PfkB) 		6 ASN A  13
LEU A  39
ASN A  67
LEU A 138
GLY A 298
ASP A 299
 AP5  A 346 (-4.1A)
None
AP5  A 346 (-3.4A)
None
AP5  A 346 (-3.2A)
AP5  A 346 ( 3.2A)
 1.42A 4dc3B-3otxA:
45.5		 4dc3B-3otxA:
30.65
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.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		6 ASP A  19
GLY A  40
GLY A  41
ASN A  45
GLY A 261
ASP A 264
 None
 0.49A 4dc3B-3pl2A:
31.4		 4dc3B-3pl2A:
23.92
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.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		6 ASN A   8
ASP A  12
GLY A  37
GLY A  38
GLY A 248
ASP A 251
 None
 1.05A 4dc3B-3q1yA:
25.4		 4dc3B-3q1yA:
23.50
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.
3ry7 RIBOKINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 ASP A  14
GLY A  40
GLY A  41
ASN A  45
ASP A 254
 GOL  A 401 (-3.1A)
GOL  A 401 ( 3.7A)
GOL  A 401 (-3.8A)
GOL  A 401 (-3.9A)
None
 0.62A 4dc3B-3ry7A:
27.8		 4dc3B-3ry7A:
24.17
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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		10 ASN A  11
ASP A  15
LEU A  37
GLY A  58
GLY A  59
ASN A  63
THR A 129
LEU A 131
GLY A 275
ASP A 278
 ADN  A 353 (-3.7A)
ADN  A 353 (-2.8A)
None
ADN  A 353 (-3.3A)
ADN  A 353 (-3.2A)
ADN  A 353 (-3.4A)
ADN  A 353 (-3.3A)
None
ADN  A 353 (-3.7A)
ADN  A 353 (-3.3A)
 0.57A 4dc3B-3uboA:
39.9		 4dc3B-3uboA:
25.30
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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		6 ASP A  15
LEU A 131
ASN A  63
THR A 129
GLY A 275
ASP A 278
 ADN  A 353 (-2.8A)
None
ADN  A 353 (-3.4A)
ADN  A 353 (-3.3A)
ADN  A 353 (-3.7A)
ADN  A 353 (-3.3A)
 1.42A 4dc3B-3uboA:
39.9		 4dc3B-3uboA:
25.30
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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		6 LEU A  37
GLY A  59
ASN A  63
THR A 129
LEU A 131
GLY A 275
 None
ADN  A 353 (-3.2A)
ADN  A 353 (-3.4A)
ADN  A 353 (-3.3A)
None
ADN  A 353 (-3.7A)
 1.31A 4dc3B-3uboA:
39.9		 4dc3B-3uboA:
25.30
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.
3uqe 6-PHOSPHOFRUCTOKINAS
E ISOZYME 2

(Escherichia
coli) 		PF00294
(PfkB) 		5 ASP A  14
GLY A  38
GLY A  39
ASN A  43
ASP A 256
 None
 0.79A 4dc3B-3uqeA:
25.0		 4dc3B-3uqeA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uqe 6-PHOSPHOFRUCTOKINAS
E ISOZYME 2

(Escherichia
coli) 		PF00294
(PfkB) 		5 GLY A  38
GLY A  39
ASN A  43
GLY A 253
ASP A 256
 None
None
None
ATP  A 401 ( 4.1A)
None
 0.63A 4dc3B-3uqeA:
25.0		 4dc3B-3uqeA:
25.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		12 ASN A  14
ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
VAL A 123
THR A 136
LEU A 138
ASN A 298
GLY A 299
ASP A 302
 ADN  A 401 ( 4.0A)
ADN  A 401 (-2.7A)
None
ADN  A 401 ( 3.8A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
ADN  A 401 (-4.5A)
ADN  A 401 (-3.1A)
ADN  A 401 (-4.9A)
ADN  A 401 (-3.7A)
ADN  A 401 ( 3.8A)
ADN  A 401 (-2.9A)
 0.15A 4dc3B-3vasA:
62.6		 4dc3B-3vasA:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		6 GLY A  64
VAL A 123
THR A 136
LEU A  40
ASN A 298
GLY A 299
 ADN  A 401 (-3.7A)
ADN  A 401 (-4.5A)
ADN  A 401 (-3.1A)
None
ADN  A 401 (-3.7A)
ADN  A 401 ( 3.8A)
 1.24A 4dc3B-3vasA:
62.6		 4dc3B-3vasA:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		7 LEU A  40
GLY A  63
ASN A  68
VAL A 123
THR A 136
ASN A 298
GLY A 299
 None
ADN  A 401 ( 3.8A)
ADN  A 401 (-3.7A)
ADN  A 401 (-4.5A)
ADN  A 401 (-3.1A)
ADN  A 401 (-3.7A)
ADN  A 401 ( 3.8A)
 1.13A 4dc3B-3vasA:
62.6		 4dc3B-3vasA:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		6 LEU A 138
GLY A  63
VAL A 123
THR A 136
ASN A 298
GLY A 299
 ADN  A 401 (-4.9A)
ADN  A 401 ( 3.8A)
ADN  A 401 (-4.5A)
ADN  A 401 (-3.1A)
ADN  A 401 (-3.7A)
ADN  A 401 ( 3.8A)
 1.30A 4dc3B-3vasA:
62.6		 4dc3B-3vasA:
99.46
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.
4b8s ADP-DEPENDENT
GLUCOKINASE

(Thermococcus
litoralis) 		PF04587
(ADP_PFK_GK) 		5 ASP A  42
GLY A 119
GLY A 120
GLY A 448
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
GLC  A 468 ( 4.0A)
GLC  A 468 (-2.9A)
 0.43A 4dc3B-4b8sA:
22.9		 4dc3B-4b8sA:
21.73
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.
4byf UNCONVENTIONAL
MYOSIN-IC

(Homo sapiens) 		PF00063
(Myosin_head)
PF00612
(IQ) 		6 LEU A 119
GLY A 164
THR A 115
LEU A 384
ASN A 151
GLY A 150
 None
 1.31A 4dc3B-4byfA:
undetectable		 4dc3B-4byfA:
20.61
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.
4du5 PFKB

(Polaromonas sp.
JS666) 		PF00294
(PfkB) 		5 LEU A 197
GLY A  59
ASN A  63
GLY A 282
ASP A 285
 None
CL  A 401 ( 3.8A)
None
None
None
 0.92A 4dc3B-4du5A:
30.6		 4dc3B-4du5A:
26.75
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		10 ASN A   9
ASP A  13
LEU A  35
GLY A  56
GLY A  57
ASN A  61
THR A 127
LEU A 129
GLY A 273
ASP A 276
 ADN  A 500 (-3.8A)
ADN  A 500 (-2.7A)
None
ADN  A 500 (-3.5A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.5A)
ADN  A 500 (-3.0A)
None
ADN  A 500 (-3.9A)
ADN  A 500 (-2.8A)
 0.47A 4dc3B-4e3aA:
40.2		 4dc3B-4e3aA:
28.54
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		6 ASP A  13
LEU A 129
ASN A  61
THR A 127
GLY A 273
ASP A 276
 ADN  A 500 (-2.7A)
None
ADN  A 500 (-3.5A)
ADN  A 500 (-3.0A)
ADN  A 500 (-3.9A)
ADN  A 500 (-2.8A)
 1.36A 4dc3B-4e3aA:
40.2		 4dc3B-4e3aA:
28.54
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		6 LEU A  35
GLY A  57
ASN A  61
THR A 127
LEU A 129
GLY A 273
 None
ADN  A 500 (-3.7A)
ADN  A 500 (-3.5A)
ADN  A 500 (-3.0A)
None
ADN  A 500 (-3.9A)
 1.28A 4dc3B-4e3aA:
40.2		 4dc3B-4e3aA:
28.54
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		6 LEU A 129
GLY A  56
ASN A  61
THR A 127
GLY A 273
ASP A 276
 None
ADN  A 500 (-3.5A)
ADN  A 500 (-3.5A)
ADN  A 500 (-3.0A)
ADN  A 500 (-3.9A)
ADN  A 500 (-2.8A)
 1.46A 4dc3B-4e3aA:
40.2		 4dc3B-4e3aA:
28.54
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.
4e84 D-BETA-D-HEPTOSE
7-PHOSPHATE KINASE

(Burkholderia
cenocepacia) 		PF00294
(PfkB) 		5 ASP A  29
GLY A  58
GLY A  59
GLY A 267
ASP A 270
 M7B  A 502 (-2.9A)
M7B  A 502 (-3.4A)
M7B  A 502 (-3.6A)
M7B  A 502 (-3.7A)
M7B  A 502 (-3.1A)
 0.78A 4dc3B-4e84A:
25.8		 4dc3B-4e84A:
23.13
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.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		6 LEU A 140
GLY A  33
GLY A  34
ASN A  38
GLY A 267
ASP A 270
 None
GOL  A 401 ( 4.1A)
GOL  A 401 (-3.7A)
GOL  A 401 (-4.4A)
GOL  A 401 ( 4.5A)
GOL  A 401 (-3.0A)
 1.35A 4dc3B-4gm6A:
25.1		 4dc3B-4gm6A:
23.84
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.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		6 LEU A 172
GLY A  33
GLY A  34
ASN A  38
GLY A 267
ASP A 270
 None
GOL  A 401 ( 4.1A)
GOL  A 401 (-3.7A)
GOL  A 401 (-4.4A)
GOL  A 401 ( 4.5A)
GOL  A 401 (-3.0A)
 0.79A 4dc3B-4gm6A:
25.1		 4dc3B-4gm6A:
23.84
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.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		6 LEU A 172
GLY A  34
ASN A  38
LEU A 140
GLY A 267
ASP A 270
 None
GOL  A 401 (-3.7A)
GOL  A 401 (-4.4A)
None
GOL  A 401 ( 4.5A)
GOL  A 401 (-3.0A)
 1.10A 4dc3B-4gm6A:
25.1		 4dc3B-4gm6A:
23.84
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.
4hbs PUTATIVE HYDROLASE

(Bacteroides
ovatus) 		PF16396
(DUF5005) 		5 GLY A  99
GLY A  72
ASN A  74
VAL A 149
GLY A  75
 None
 0.89A 4dc3B-4hbsA:
undetectable		 4dc3B-4hbsA:
21.44
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.
4pvv ADENOSINE KINASE

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  47
GLY A  48
ASN A  52
GLY A 254
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 ( 4.3A)
HO4  A 401 (-3.3A)
 0.58A 4dc3B-4pvvA:
28.1		 4dc3B-4pvvA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wfi CUTINASE

(Saccharomonospora
viridis) 		PF03403
(PAF-AH_p_II) 		5 LEU A 238
GLY A 174
GLY A 179
THR A 214
GLY A 143
 None
 0.92A 4dc3B-4wfiA:
4.8		 4dc3B-4wfiA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		6 ASP A  11
GLY A  29
GLY A  30
ASN A  34
GLY A 246
ASP A 249
 None
None
None
None
ANP  A 401 (-3.3A)
ANP  A 401 ( 4.3A)
 0.60A 4dc3B-4wjmA:
30.0		 4dc3B-4wjmA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		6 LEU A 162
GLY A  29
GLY A  30
ASN A  34
GLY A 246
ASP A 249
 None
None
None
None
ANP  A 401 (-3.3A)
ANP  A 401 ( 4.3A)
 0.92A 4dc3B-4wjmA:
30.0		 4dc3B-4wjmA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wm0 XYLOSIDE
XYLOSYLTRANSFERASE 1

(Mus musculus) 		PF01501
(Glyco_transf_8) 		5 ASN A 386
GLY A 383
ASN A 288
GLY A 290
ASP A 225
 None
 0.86A 4dc3B-4wm0A:
undetectable		 4dc3B-4wm0A:
19.35
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.
4wy8 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		5 LEU A 107
GLY A 292
THR A 103
LEU A 307
GLY A  90
 None
 0.90A 4dc3B-4wy8A:
2.5		 4dc3B-4wy8A:
22.17
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.
4x8f RIBOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 ASP A  13
GLY A  38
GLY A  39
ASN A  43
ASP A 252
 None
 0.65A 4dc3B-4x8fA:
29.9		 4dc3B-4x8fA:
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.
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis) 		no annotation 6 ASP A  12
GLY A  25
GLY A  26
LEU A  89
GLY A 216
ASP A 219
 INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
None
ACP  A 302 (-3.9A)
INS  A 301 (-2.7A)
 1.25A 4dc3B-4xf7A:
22.9		 4dc3B-4xf7A:
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.
5c41 RIBOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		6 ASP A  27
GLY A  52
GLY A  53
ASN A  57
GLY A 266
ASP A 269
 None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.52A 4dc3B-5c41A:
32.8		 4dc3B-5c41A:
25.06
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.
5ck7 ADP-DEPENDENT
GLUCOKINASE

(Mus musculus) 		PF04587
(ADP_PFK_GK) 		5 ASP A  84
GLY A 157
GLY A 158
GLY A 477
ASP A 480
 None
None
None
None
AMP  A 601 ( 4.9A)
 0.76A 4dc3B-5ck7A:
20.2		 4dc3B-5ck7A:
21.82
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.
5ey7 FRUCTOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		7 ASP A  30
GLY A  44
GLY A  45
ASN A  49
VAL A 101
GLY A 263
ASP A 266
 None
 0.58A 4dc3B-5ey7A:
31.4		 4dc3B-5ey7A:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h7w VENOM
5'-NUCLEOTIDASE

(Naja atra) 		no annotation 5 GLY A 393
GLY A 392
ASN A 390
GLY A 506
ASP A 507
 None
 0.88A 4dc3B-5h7wA:
undetectable		 4dc3B-5h7wA:
21.51
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.
5o0j ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
horikoshii) 		no annotation 5 ASP A  37
GLY A 114
GLY A 115
GLY A 440
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
GLC  A 503 ( 4.1A)
GLC  A 503 (-2.6A)
 0.47A 4dc3B-5o0jA:
24.0		 4dc3B-5o0jA:
12.86
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.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 5 ASP A  28
GLY A 106
GLY A 107
GLY A 439
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
PO4  A 504 (-3.1A)
GLC  A 501 ( 2.6A)
 0.48A 4dc3B-5od2A:
20.6		 4dc3B-5od2A:
14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5te1 ATP-CITRATE SYNTHASE

(Homo sapiens) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
PF16114
(Citrate_bind) 		5 ASN A 383
GLY A 380
GLY A 381
THR A 353
GLY A 665
 None
None
None
None
7A2  A 901 ( 3.4A)
 0.89A 4dc3B-5te1A:
3.3		 4dc3B-5te1A:
18.57
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.
5ysq TM0415

(Thermotoga
maritima) 		no annotation 5 ASP A  11
GLY A  25
GLY A  26
THR A  74
ASN A  78
 INS  A 301 (-2.7A)
INS  A 301 (-3.4A)
INS  A 301 (-3.8A)
None
INS  A 301 (-3.0A)
 0.83A 4dc3B-5ysqA:
24.8		 4dc3B-5ysqA:
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.
6ape BIFUNCTIONAL PROTEIN
FOLD

(Helicobacter
pylori) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 LEU A 224
GLY A 234
GLY A 245
ASN A 236
VAL A 211
 None
GOL  A 303 (-3.6A)
None
GOL  A 303 ( 4.6A)
None
 0.92A 4dc3B-6apeA:
undetectable		 4dc3B-6apeA:
27.25
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.
6b74 COAGULATION FACTOR
XII

(Homo sapiens) 		no annotation 5 LEU B  64
GLY B 197
GLY B 196
LEU B 106
GLY B 193
 None
None
None
None
SO4  B 304 (-3.7A)
 0.76A 4dc3B-6b74B:
undetectable		 4dc3B-6b74B:
11.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c8z ADP-DEPENDENT
PHOSPHOFRUCTOKINASE

(Methanosarcinales) 		no annotation 5 ASP A  36
GLY A 114
GLY A 115
GLY A 468
ASP A 471
 None
None
None
ADP  A 501 (-3.8A)
ADP  A 501 (-3.6A)
 0.89A 4dc3B-6c8zA:
18.2		 4dc3B-6c8zA:
17.05
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.
6cw5 RIBOKINASE

(Cryptococcus
neoformans) 		no annotation 6 ASP A  16
GLY A  41
GLY A  42
ASN A  46
GLY A 270
ASP A 273
 GOL  A 400 (-2.8A)
GOL  A 400 (-3.5A)
GOL  A 400 (-3.3A)
GOL  A 400 (-3.3A)
None
None
 0.53A 4dc3B-6cw5A:
30.8		 4dc3B-6cw5A:
12.70
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.
6f5d ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL

(Trypanosoma
brucei) 		no annotation 5 ASP A 167
LEU A 365
GLY A 162
ASN A 198
VAL A 166
 None
 0.92A 4dc3B-6f5dA:
2.3		 4dc3B-6f5dA:
13.07
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.
1ad3 ALDEHYDE
DEHYDROGENASE (CLASS
3)

(Rattus
norvegicus) 		PF00171
(Aldedh) 		4 LEU A 148
ILE A  36
MET A  35
PHE A 117
 None
 1.04A 4dc3B-1ad3A:
3.9		 4dc3B-1ad3A:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cf2 PROTEIN
(GLYCERALDEHYDE-3-PH
OSPHATE
DEHYDROGENASE)

(Methanothermus
fervidus) 		no annotation 4 LEU P 316
ILE P  20
ALA P 311
MET P  26
 None
 1.00A 4dc3B-1cf2P:
7.5		 4dc3B-1cf2P:
22.28
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.
1cs1 PROTEIN
(CYSTATHIONINE
GAMMA-SYNTHASE)

(Escherichia
coli) 		PF01053
(Cys_Met_Meta_PP) 		4 LEU A 140
ILE A  80
ALA A  96
PHE A 108
 None
 1.06A 4dc3B-1cs1A:
4.1		 4dc3B-1cs1A:
23.52
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.
1e69 CHROMOSOME
SEGREGATION SMC
PROTEIN

(Thermotoga
maritima) 		PF02463
(SMC_N) 		4 LEU A1092
ILE A1061
ALA A1087
PHE A1030
 None
 0.92A 4dc3B-1e69A:
undetectable		 4dc3B-1e69A:
20.66
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.
1egx VASODILATOR-STIMULAT
ED PHOSPHOPROTEIN

(Homo sapiens) 		PF00568
(WH1) 		4 LEU A 110
ILE A   6
ALA A 112
PHE A  47
 None
 1.04A 4dc3B-1egxA:
undetectable		 4dc3B-1egxA:
15.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1phj TELOMERE-BINDING
PROTEIN BETA SUBUNIT

(Sterkiella nova) 		PF07404
(TEBP_beta) 		4 LEU B 138
ILE B 148
ALA B 114
PHE B  22
 None
 1.05A 4dc3B-1phjB:
undetectable		 4dc3B-1phjB:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uqw PUTATIVE BINDING
PROTEIN YLIB

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		4 LEU A 488
ILE A 195
ALA A 486
PHE A 473
 None
 1.00A 4dc3B-1uqwA:
undetectable		 4dc3B-1uqwA:
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.
1vcg ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Thermus
thermophilus) 		PF01070
(FMN_dh) 		4 LEU A 281
ILE A 121
ALA A 208
MET A  92
 None
 0.83A 4dc3B-1vcgA:
undetectable		 4dc3B-1vcgA:
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.
1wa3 2-KETO-3-DEOXY-6-PHO
SPHOGLUCONATE
ALDOLASE

(Thermotoga
maritima) 		PF01081
(Aldolase) 		4 LEU A  38
ILE A 127
ALA A 174
MET A 108
 None
 1.03A 4dc3B-1wa3A:
2.2		 4dc3B-1wa3A:
21.75
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.
1x9s DNA POLYMERASE

(Escherichia
virus T7) 		PF00476
(DNA_pol_A) 		4 LEU A 515
ILE A 525
ALA A 512
PHE A 555
 None
 0.82A 4dc3B-1x9sA:
undetectable		 4dc3B-1x9sA:
18.72
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.
1zcm CALPAIN 1, LARGE
[CATALYTIC] SUBUNIT

(Homo sapiens) 		PF00648
(Peptidase_C2) 		4 LEU A 247
ILE A 121
ALA A 213
PHE A 217
 None
 1.06A 4dc3B-1zcmA:
undetectable		 4dc3B-1zcmA:
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.
2a6o ISHP608 TRANSPOSASE

(Helicobacter
pylori) 		PF01797
(Y1_Tnp) 		4 ILE A  67
ALA A  84
MET A  58
PHE A  80
 None
 1.08A 4dc3B-2a6oA:
undetectable		 4dc3B-2a6oA:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a7n L(+)-MANDELATE
DEHYDROGENASE

(Pseudomonas
putida;
Spinacia
oleracea) 		PF01070
(FMN_dh) 		4 ILE A 133
ALA A 110
MET A 208
PHE A 184
 None
FMN  A 390 ( 4.5A)
None
None
 1.09A 4dc3B-2a7nA:
2.2		 4dc3B-2a7nA:
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.
2a7s PROBABLE
PROPIONYL-COA
CARBOXYLASE BETA
CHAIN 5

(Mycobacterium
tuberculosis) 		PF01039
(Carboxyl_trans) 		4 LEU A  67
ILE A 149
ALA A  65
PHE A 259
 None
 1.07A 4dc3B-2a7sA:
undetectable		 4dc3B-2a7sA:
22.02
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.
2bfu COWPEA MOSAIC VIRUS,
SMALL (S) SUBUNIT

(Cowpea mosaic
virus) 		PF02248
(Como_SCP) 		4 LEU S 146
ILE S  70
MET S 163
PHE S 122
 None
 1.05A 4dc3B-2bfuS:
undetectable		 4dc3B-2bfuS:
19.89
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.
2fuv PHOSPHOGLUCOMUTASE

(Salmonella
enterica) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 LEU A 325
ILE A 312
ALA A 328
MET A 319
 None
 1.09A 4dc3B-2fuvA:
undetectable		 4dc3B-2fuvA:
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.
2gk3 PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF07090
(GATase1_like) 		4 ILE A  13
ALA A 104
MET A  56
PHE A  88
 None
 0.76A 4dc3B-2gk3A:
3.6		 4dc3B-2gk3A:
19.95
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.
2go7 HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Streptococcus
pneumoniae) 		PF13419
(HAD_2) 		4 LEU A  93
ILE A 199
ALA A  96
PHE A   6
 None
 1.04A 4dc3B-2go7A:
3.7		 4dc3B-2go7A:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hrz NUCLEOSIDE-DIPHOSPHA
TE-SUGAR EPIMERASE

(Agrobacterium
fabrum) 		PF01370
(Epimerase) 		4 ILE A  11
ALA A 243
MET A   9
PHE A  85
 None
 1.10A 4dc3B-2hrzA:
2.7		 4dc3B-2hrzA:
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.
2i0q TELOMERE-BINDING
PROTEIN BETA SUBUNIT

(Sterkiella nova) 		PF07404
(TEBP_beta) 		4 LEU B 138
ILE B 148
ALA B 114
PHE B  22
 None
 1.05A 4dc3B-2i0qB:
undetectable		 4dc3B-2i0qB:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nqi CALPAIN-1 CATALYTIC
SUBUNIT

(Rattus
norvegicus) 		PF00648
(Peptidase_C2) 		4 LEU A 247
ILE A 121
ALA A 213
PHE A 217
 None
 1.08A 4dc3B-2nqiA:
undetectable		 4dc3B-2nqiA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ohh TYPE A FLAVOPROTEIN
FPRA

(Methanothermobacter
thermautotrophicus) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		4 LEU A 330
ILE A 305
ALA A 369
PHE A 371
 None
 0.90A 4dc3B-2ohhA:
5.5		 4dc3B-2ohhA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pbf PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE
BETA-ASPARTATE
METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF01135
(PCMT) 		4 LEU A 105
ILE A 129
ALA A  99
PHE A 142
 None
 0.95A 4dc3B-2pbfA:
2.6		 4dc3B-2pbfA:
22.60
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.
2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3

(Homo sapiens) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		4 LEU A 103
ILE A 119
ALA A 275
MET A 114
 None
 0.98A 4dc3B-2qk4A:
3.9		 4dc3B-2qk4A:
23.69
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.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		4 LEU A 398
ILE A 109
ALA A 404
PHE A 199
 None
CL  A   2 ( 4.9A)
None
None
 1.10A 4dc3B-2r9hA:
undetectable		 4dc3B-2r9hA:
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.
2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		4 LEU A 546
ILE A 510
ALA A 542
MET A 499
 None
 1.05A 4dc3B-2wkpA:
4.7		 4dc3B-2wkpA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wnr PROBABLE EXOSOME
COMPLEX EXONUCLEASE
2

(Methanothermobacter
thermautotrophicus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		4 LEU A 187
ILE A 115
ALA A 161
MET A 120
 None
 0.94A 4dc3B-2wnrA:
undetectable		 4dc3B-2wnrA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wp9 SUCCINATE
DEHYDROGENASE
IRON-SULFUR SUBUNIT

(Escherichia
coli) 		PF13085
(Fer2_3)
PF13534
(Fer4_17) 		4 LEU B  39
ILE B  79
MET B  33
PHE B   5
 None
 1.09A 4dc3B-2wp9B:
undetectable		 4dc3B-2wp9B:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z0f PUTATIVE
PHOSPHOGLUCOMUTASE

(Thermus
thermophilus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 LEU A 307
ILE A 294
ALA A 310
MET A 301
 None
 1.07A 4dc3B-2z0fA:
undetectable		 4dc3B-2z0fA:
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.
2z7x TOLL-LIKE RECEPTOR
1, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		4 LEU B 425
ILE B 405
ALA B 391
MET B 430
 None
 0.97A 4dc3B-2z7xB:
undetectable		 4dc3B-2z7xB:
21.44
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.
2zo7 CYAN/GREEN-EMITTING
GFP-LIKE PROTEIN,
KUSABIRA-CYAN MUTANT
(KCY-R1)

(Verrillofungia
concinna) 		PF01353
(GFP) 		4 ILE A 131
ALA A 102
MET A 132
PHE A  96
 None
 1.05A 4dc3B-2zo7A:
undetectable		 4dc3B-2zo7A:
20.49
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.
3akz GLUTAMYL-TRNA
SYNTHETASE 2

(Thermotoga
maritima) 		no annotation 4 LEU B 474
ILE B 465
ALA B 411
PHE B 415
 C  G  56 ( 4.3A)
None
None
None
 1.00A 4dc3B-3akzB:
undetectable		 4dc3B-3akzB:
21.31
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.
3bb8 CDP-4-KETO-6-DEOXY-D
-GLUCOSE-3-DEHYDRASE

(Yersinia
pseudotuberculosis) 		PF01041
(DegT_DnrJ_EryC1) 		4 LEU A 107
ILE A 189
ALA A  96
MET A 163
 None
 1.07A 4dc3B-3bb8A:
undetectable		 4dc3B-3bb8A:
20.58
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.
3c5h GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1

(Homo sapiens) 		PF00071
(Ras) 		4 LEU A 243
ILE A  93
ALA A 239
MET A  91
 None
 1.07A 4dc3B-3c5hA:
undetectable		 4dc3B-3c5hA:
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.
3c5y RIBOSE/GALACTOSE
ISOMERASE

(Novosphingobium
aromaticivorans) 		PF02502
(LacAB_rpiB)
PF12408
(DUF3666) 		4 LEU A  22
ILE A 111
MET A 113
PHE A  67
 None
 0.96A 4dc3B-3c5yA:
undetectable		 4dc3B-3c5yA:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cqh L-RIBULOSE-5-PHOSPHA
TE 3-EPIMERASE ULAE

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		4 LEU A  15
ILE A 250
MET A 252
PHE A  33
 None
 0.97A 4dc3B-3cqhA:
undetectable		 4dc3B-3cqhA:
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.
3e8s PUTATIVE SAM
DEPENDENT
METHYLTRANSFERASE

(Pseudomonas
putida) 		PF13489
(Methyltransf_23) 		4 LEU A 200
ILE A 149
ALA A 194
MET A 221
 None
 1.07A 4dc3B-3e8sA:
undetectable		 4dc3B-3e8sA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ecd SERINE
HYDROXYMETHYLTRANSFE
RASE 2

(Burkholderia
pseudomallei) 		PF00464
(SHMT) 		4 LEU A 121
ILE A 158
ALA A 177
PHE A 191
 None
 1.04A 4dc3B-3ecdA:
2.3		 4dc3B-3ecdA:
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.
3fho ATP-DEPENDENT RNA
HELICASE DBP5

(Schizosaccharomyces
pombe) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 LEU A 382
ILE A 356
ALA A 380
PHE A 398
 None
 1.03A 4dc3B-3fhoA:
3.0		 4dc3B-3fhoA:
16.91
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.
3fkd L-THREONINE-O-3-PHOS
PHATE DECARBOXYLASE

(Porphyromonas
gingivalis) 		PF00155
(Aminotran_1_2) 		4 LEU A  71
ILE A  83
ALA A 211
PHE A 215
 None
 0.91A 4dc3B-3fkdA:
3.0		 4dc3B-3fkdA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fxi TOLL-LIKE RECEPTOR 4

(Homo sapiens) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		4 LEU A 473
ILE A 454
MET A 478
PHE A 443
 None
 1.01A 4dc3B-3fxiA:
undetectable		 4dc3B-3fxiA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hm2 PRECORRIN-6Y
C5,15-METHYLTRANSFER
ASE

(Corynebacterium
diphtheriae) 		no annotation 4 LEU A 114
ILE A  29
ALA A 109
PHE A  85
 None
 1.05A 4dc3B-3hm2A:
5.3		 4dc3B-3hm2A:
18.21
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.
3iv3 TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE 2

(Streptococcus
mutans) 		PF01791
(DeoC) 		4 LEU A  68
ILE A  21
ALA A 123
PHE A 161
 None
 0.80A 4dc3B-3iv3A:
undetectable		 4dc3B-3iv3A:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kao TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE

(Staphylococcus
aureus) 		PF01791
(DeoC) 		4 LEU A  68
ILE A  21
ALA A 123
PHE A 161
 None
 0.83A 4dc3B-3kaoA:
undetectable		 4dc3B-3kaoA:
21.73
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.
3l8a PUTATIVE
AMINOTRANSFERASE,
PROBABLE
BETA-CYSTATHIONASE

(Streptococcus
mutans) 		PF00155
(Aminotran_1_2) 		4 LEU A 102
ILE A 227
ALA A 104
PHE A 105
 None
 1.00A 4dc3B-3l8aA:
3.6		 4dc3B-3l8aA:
26.50
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.
3myo TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE 1

(Streptococcus
pyogenes) 		PF01791
(DeoC) 		4 LEU A  67
ILE A  20
ALA A 122
PHE A 160
 None
 0.78A 4dc3B-3myoA:
undetectable		 4dc3B-3myoA:
20.26
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.
3nap CAPSID PROTEIN

(Triatoma virus) 		PF00073
(Rhv) 		4 LEU B 110
ILE B 119
ALA B 131
MET B 115
 None
 1.09A 4dc3B-3napB:
undetectable		 4dc3B-3napB:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o1l FORMYLTETRAHYDROFOLA
TE DEFORMYLASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00551
(Formyl_trans_N) 		4 LEU A  24
ILE A   8
MET A  47
PHE A  67
 None
 0.91A 4dc3B-3o1lA:
6.0		 4dc3B-3o1lA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3okf 3-DEHYDROQUINATE
SYNTHASE

(Vibrio cholerae) 		PF01761
(DHQ_synthase) 		4 LEU A  60
ILE A 131
ALA A  56
PHE A  27
 None
 0.87A 4dc3B-3okfA:
undetectable		 4dc3B-3okfA:
25.11
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.
3olz GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		4 LEU A 383
ILE A 227
ALA A 131
PHE A 251
 None
 1.05A 4dc3B-3olzA:
3.4		 4dc3B-3olzA:
22.60
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.
3pl5 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
mutans) 		PF02645
(DegV) 		4 LEU A 108
ILE A 118
ALA A 103
PHE A  74
 None
 0.96A 4dc3B-3pl5A:
undetectable		 4dc3B-3pl5A:
27.75
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.
3r0q PROBABLE PROTEIN
ARGININE
N-METHYLTRANSFERASE
4.2

(Arabidopsis
thaliana) 		no annotation 4 LEU C 181
ILE C 359
MET C 347
PHE C 327
 None
 1.08A 4dc3B-3r0qC:
3.1		 4dc3B-3r0qC:
21.46
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.
3rqa PUTATIVE
UNCHARACTERIZED
PROTEIN

(Xanthomonas
campestris) 		PF16823
(PilZ_2) 		4 LEU A 143
ILE A 108
ALA A 140
PHE A 158
 None
 1.05A 4dc3B-3rqaA:
undetectable		 4dc3B-3rqaA:
18.60
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.
3soz CYTOPLASMIC PROTEIN
STM1381

(Salmonella
enterica) 		PF07090
(GATase1_like) 		4 ILE A   6
ALA A  97
MET A  49
PHE A  81
 None
 0.78A 4dc3B-3sozA:
3.8		 4dc3B-3sozA:
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.
3swv BREFELDIN
A-INHIBITED GUANINE
NUCLEOTIDE-EXCHANGE
PROTEIN 2

(Homo sapiens) 		PF01369
(Sec7) 		4 LEU A 810
ILE A 776
ALA A 769
PHE A 722
 None
 1.08A 4dc3B-3swvA:
undetectable		 4dc3B-3swvA:
18.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		5 LEU A  16
ILE A  38
ALA A  65
MET A 134
PHE A 169
 ADN  A 401 (-4.7A)
ADN  A 401 (-4.3A)
ADN  A 401 (-3.8A)
ADN  A 401 ( 4.0A)
ADN  A 401 (-3.7A)
 0.56A 4dc3B-3vasA:
62.6		 4dc3B-3vasA:
99.46
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.
3zgb PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Flaveria
pringlei) 		PF00311
(PEPcase) 		4 LEU A 782
ILE A 763
ALA A 774
PHE A 736
 None
 1.06A 4dc3B-3zgbA:
undetectable		 4dc3B-3zgbA:
18.60
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.
3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)

(Bacteroides
ovatus) 		PF00150
(Cellulase)
PF13004
(BACON) 		4 LEU A 240
ILE A 208
ALA A 238
PHE A 195
 None
 1.08A 4dc3B-3zmrA:
undetectable		 4dc3B-3zmrA:
22.72
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.
4a2p RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 LEU A 371
ILE A 346
ALA A 294
PHE A 285
 None
 1.05A 4dc3B-4a2pA:
undetectable		 4dc3B-4a2pA:
21.02
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.
4a2q RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		4 LEU A 371
ILE A 346
ALA A 294
PHE A 285
 None
 1.07A 4dc3B-4a2qA:
undetectable		 4dc3B-4a2qA:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ac1 ENDO-N-ACETYL-BETA-D
-GLUCOSAMINIDASE

(Trichoderma
reesei) 		PF00704
(Glyco_hydro_18) 		4 LEU X 246
ILE X 210
ALA X 222
PHE X 194
 None
 1.07A 4dc3B-4ac1X:
2.5		 4dc3B-4ac1X:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dj3 PERIOD CIRCADIAN
PROTEIN HOMOLOG 3

(Mus musculus) 		PF08447
(PAS_3) 		4 LEU A 161
ILE A 212
ALA A 134
PHE A 132
 None
 0.99A 4dc3B-4dj3A:
undetectable		 4dc3B-4dj3A:
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.
4eyo EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		4 LEU A 317
ILE A  35
ALA A 313
MET A  68
 None
 1.02A 4dc3B-4eyoA:
undetectable		 4dc3B-4eyoA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f3y DIHYDRODIPICOLINATE
REDUCTASE

(Burkholderia
thailandensis) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		4 LEU A 251
ILE A   6
ALA A 244
MET A   4
 None
 1.04A 4dc3B-4f3yA:
5.2		 4dc3B-4f3yA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fkz UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Bacillus
subtilis) 		PF02350
(Epimerase_2) 		4 LEU A  50
ILE A  17
ALA A  52
PHE A  53
 None
UDP  A 402 (-3.7A)
None
None
 1.04A 4dc3B-4fkzA:
9.3		 4dc3B-4fkzA:
24.26
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.
4fss RAS
GTPASE-ACTIVATING
PROTEIN 1

(Homo sapiens) 		PF00018
(SH3_1) 		4 ILE A 331
ALA A 286
MET A 318
PHE A 301
 None
 1.09A 4dc3B-4fssA:
undetectable		 4dc3B-4fssA:
9.12
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.
4kt6 NICOTINE ADENINE
DINUCLEOTIDE
GLYCOHYDROLASE

(Streptococcus
pyogenes) 		PF07461
(NADase_NGA) 		4 LEU A 349
ILE A 359
ALA A 271
PHE A 394
 None
 1.08A 4dc3B-4kt6A:
undetectable		 4dc3B-4kt6A:
22.06
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.
4ldn PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		4 LEU A  10
ILE A   6
ALA A  12
PHE A  13
 None
 1.10A 4dc3B-4ldnA:
undetectable		 4dc3B-4ldnA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n2p PROTEIN ARCHEASE

(Pyrococcus
horikoshii) 		PF01951
(Archease) 		4 LEU A  67
ILE A 127
MET A 125
PHE A  27
 None
 0.95A 4dc3B-4n2pA:
undetectable		 4dc3B-4n2pA:
14.44
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.
4ns1 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Porphyromonas
gingivalis) 		PF01048
(PNP_UDP_1) 		4 LEU A 284
ILE A 144
ALA A 187
MET A 245
 None
 1.06A 4dc3B-4ns1A:
undetectable		 4dc3B-4ns1A:
23.56
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.
4ovs TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Sulfurospirillum
deleyianum) 		PF03480
(DctP) 		4 ILE A  84
ALA A 257
MET A 238
PHE A  45
 None
 0.96A 4dc3B-4ovsA:
2.1		 4dc3B-4ovsA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r0b GLYCODELIN

(Homo sapiens) 		PF00061
(Lipocalin) 		4 ILE A 137
ALA A  25
MET A 133
PHE A 140
 None
 0.99A 4dc3B-4r0bA:
undetectable		 4dc3B-4r0bA:
18.45
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.
4wfi CUTINASE

(Saccharomonospora
viridis) 		PF03403
(PAF-AH_p_II) 		4 LEU A 150
ILE A 130
ALA A 148
PHE A  77
 None
 1.05A 4dc3B-4wfiA:
4.8		 4dc3B-4wfiA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x8i LYSYL AMINOPEPTIDASE

(Pyrococcus
furiosus) 		PF05343
(Peptidase_M42) 		4 LEU A 247
ILE A 180
ALA A 322
PHE A 171
 None
 0.98A 4dc3B-4x8iA:
undetectable		 4dc3B-4x8iA:
23.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE

(Escherichia
coli) 		PF06007
(PhnJ) 		4 ILE D  53
ALA D  10
MET D  42
PHE D  86
 None
 1.01A 4dc3B-4xb6D:
undetectable		 4dc3B-4xb6D:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ejy MYOSIN-I HEAVY CHAIN

(Dictyostelium
discoideum) 		PF00784
(MyTH4) 		4 LEU A  83
ILE A  62
ALA A  56
PHE A  72
 None
 0.86A 4dc3B-5ejyA:
undetectable		 4dc3B-5ejyA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fdn PHOSPHOENOLPYRUVATE
CARBOXYLASE 3

(Arabidopsis
thaliana) 		PF00311
(PEPcase) 		4 LEU A 785
ILE A 766
ALA A 777
PHE A 739
 None
 1.09A 4dc3B-5fdnA:
undetectable		 4dc3B-5fdnA:
18.66
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.
5frs SISTER CHROMATID
COHESION PROTEIN
PDS5

(Saccharomyces
cerevisiae) 		PF12717
(Cnd1) 		4 LEU A  39
ILE A  15
ALA A  34
PHE A  11
 None
 0.89A 4dc3B-5frsA:
undetectable		 4dc3B-5frsA:
20.69
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.
5fwx GLUTAMATE RECEPTOR 4

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		4 LEU B 375
ILE B 217
ALA B 120
PHE B 241
 None
 0.98A 4dc3B-5fwxB:
2.4		 4dc3B-5fwxB:
24.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fyr PHOSPHOINOSITOL-SPEC
IFIC PHOSPHOLIPASE C

(Pseudomonas sp.) 		PF16670
(PI-PLC-C1) 		4 LEU A 154
ILE A 258
MET A 238
PHE A  17
 None
 1.08A 4dc3B-5fyrA:
undetectable		 4dc3B-5fyrA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gmh TOLL-LIKE RECEPTOR 7

(Macaca mulatta) 		PF00560
(LRR_1)
PF13306
(LRR_5)
PF13855
(LRR_8) 		4 LEU A 595
ILE A 573
ALA A 561
PHE A 562
 None
 1.08A 4dc3B-5gmhA:
undetectable		 4dc3B-5gmhA:
17.93
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.
5gvb WD REPEAT AND
HMG-BOX DNA-BINDING
PROTEIN 1

(Homo sapiens) 		PF12341
(Mcl1_mid) 		4 LEU A 498
ILE A 527
ALA A 547
PHE A 557
 None
 1.02A 4dc3B-5gvbA:
undetectable		 4dc3B-5gvbA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hjl TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE

(Streptococcus
porcinus) 		PF01791
(DeoC) 		4 LEU A  67
ILE A  20
ALA A 122
PHE A 160
 None
 0.86A 4dc3B-5hjlA:
undetectable		 4dc3B-5hjlA:
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.
5kp9 EPN-01*

(Human
immunodeficiency
virus 1;
Thermotoga
maritima) 		PF01081
(Aldolase) 		4 LEU B  36
ILE B 125
ALA B 172
MET B 106
 None
 1.03A 4dc3B-5kp9B:
undetectable		 4dc3B-5kp9B:
23.06
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.
5kyu PROTEIN TRANSPORT
PROTEIN SEC24D

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 ILE B 489
ALA B 568
MET B 446
PHE B 526
 None
 1.07A 4dc3B-5kyuB:
undetectable		 4dc3B-5kyuB:
18.46
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.
5l22 ABC TRANSPORTER
(HLYB SUBFAMILY)

(Aquifex
aeolicus) 		no annotation 4 LEU B 375
ILE B 356
ALA B 538
PHE B 548
 None
 1.00A 4dc3B-5l22B:
undetectable		 4dc3B-5l22B:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ogs WD REPEAT AND
HMG-BOX DNA-BINDING
PROTEIN 1

(Homo sapiens) 		no annotation 4 LEU A 498
ILE A 527
ALA A 547
PHE A 557
 None
 0.98A 4dc3B-5ogsA:
undetectable		 4dc3B-5ogsA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tgf UNCHARACTERIZED
PROTEIN

(Bacteroides
dorei) 		PF00144
(Beta-lactamase) 		4 LEU A 207
ILE A  17
ALA A 308
PHE A 306
 None
 1.07A 4dc3B-5tgfA:
undetectable		 4dc3B-5tgfA:
24.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tja MUCOLIPIN-1

(Homo sapiens) 		no annotation 4 LEU A 106
ILE A 233
ALA A 128
PHE A 262
 None
 0.96A 4dc3B-5tjaA:
undetectable		 4dc3B-5tjaA:
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.
5uve SUBSTRATE-BINDING
REGION OF ABC-TYPE
GLYCINE BETAINE
TRANSPORT SYSTEM

(Brucella
abortus) 		PF04069
(OpuAC) 		4 LEU A 190
ILE A 131
ALA A 163
PHE A 167
 None
 1.08A 4dc3B-5uveA:
undetectable		 4dc3B-5uveA:
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.
5vhj 26S PROTEASOME
REGULATORY SUBUNIT
10B

(Homo sapiens) 		PF00004
(AAA) 		4 LEU E 270
ILE E 230
MET E 275
PHE E 219
 None
 0.96A 4dc3B-5vhjE:
undetectable		 4dc3B-5vhjE:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vmb SERINE
HYDROXYMETHYLTRANSFE
RASE

(Acinetobacter
baumannii) 		PF00464
(SHMT) 		4 LEU A 116
ILE A 153
ALA A 172
PHE A 186
 None
 1.09A 4dc3B-5vmbA:
undetectable		 4dc3B-5vmbA:
24.45
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.
5vrb TRANSKETOLASE

(Neisseria
gonorrhoeae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 LEU A 513
ILE A 362
ALA A 429
PHE A 427
 None
 1.00A 4dc3B-5vrbA:
undetectable		 4dc3B-5vrbA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xbj FLAGELLAR
HOOK-ASSOCIATED
PROTEIN FLGK

(Campylobacter
jejuni) 		no annotation 4 ILE A 400
ALA A 459
MET A 397
PHE A 372
 None
 0.96A 4dc3B-5xbjA:
undetectable		 4dc3B-5xbjA:
13.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xup TELOMERIC
REPEAT-BINDING
FACTOR 1

(Homo sapiens) 		no annotation 4 ILE A 240
ALA A 154
MET A 236
PHE A 128
 None
 0.99A 4dc3B-5xupA:
undetectable		 4dc3B-5xupA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z0y SERINE
HYDROXYMETHYLTRANSFE
RASE

(Komagataella
phaffii) 		no annotation 4 LEU A  93
ALA A  95
MET A 258
PHE A  96
 None
 0.99A 4dc3B-5z0yA:
undetectable		 4dc3B-5z0yA:
12.90
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.
5z96 SHORT TRANSIENT
RECEPTOR POTENTIAL
CHANNEL 4

(Mus musculus) 		no annotation 4 LEU A 527
ILE A 607
ALA A 529
PHE A 530
 LPP  A 802 (-4.7A)
None
None
None
 0.87A 4dc3B-5z96A:
undetectable		 4dc3B-5z96A:
11.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bdt CALPAIN-3

(Homo sapiens) 		no annotation 4 LEU A 261
ILE A 135
ALA A 227
PHE A 231
 None
 1.08A 4dc3B-6bdtA:
undetectable		 4dc3B-6bdtA:
16.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ccz SERINE
HYDROXYMETHYLTRANSFE
RASE

(Medicago
truncatula) 		no annotation 4 LEU A 162
ALA A 164
MET A 327
PHE A 165
 None
 1.04A 4dc3B-6cczA:
undetectable		 4dc3B-6cczA:
13.91
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.
6gne -

(-) 		no annotation 4 LEU A 352
ILE A 429
ALA A 345
PHE A 466
 None
 1.04A 4dc3B-6gneA:
6.0		 4dc3B-6gneA:
undetectable