SIMILAR PATTERNS OF AMINO ACIDS FOR 4N09_A_ADNA401_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.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 ASP A 454
GLY A 451
ALA A 461
PHE A 326
GLY A 436
 None
 0.93A 4n09A-1b0kA:
undetectable		 4n09A-1b0kA:
19.39
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 ASN A  20
ASP A  24
GLY A  69
ASN A  73
GLY A 315
ASP A 318
 ADN  A 375 ( 3.8A)
ADN  A 375 (-2.9A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.46A 4n09A-1dgmA:
41.6		 4n09A-1dgmA:
34.99
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) 		7 ASP A  24
LEU A  46
GLY A  69
ASN A  73
CYH A 127
GLY A 315
ASP A 318
 ADN  A 375 (-2.9A)
None
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.2A)
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.62A 4n09A-1dgmA:
41.6		 4n09A-1dgmA:
34.99
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) 		5 LEU A  46
GLY A  68
ASN A  73
CYH A 127
GLY A 315
 None
ADN  A 375 ( 4.5A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.2A)
ACY  A 370 (-3.1A)
 1.08A 4n09A-1dgmA:
41.6		 4n09A-1dgmA:
34.99
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.
1geu GLUTATHIONE
REDUCTASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 334
GLY A  15
ALA A 317
ASN A 304
GLY A 140
 None
FAD  A 451 (-3.5A)
None
None
FAD  A 451 (-3.5A)
 1.08A 4n09A-1geuA:
4.3		 4n09A-1geuA:
22.42
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.
1ghs 1,3-BETA-GLUCANASE

(Hordeum vulgare) 		PF00332
(Glyco_hydro_17) 		5 LEU A  40
GLY A   6
ALA A  39
PHE A  34
GLY A   9
 None
 1.21A 4n09A-1ghsA:
2.2		 4n09A-1ghsA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 LEU A 674
GLY A 643
ALA A 673
GLY A 638
ASP A 640
 None
 1.06A 4n09A-1h17A:
undetectable		 4n09A-1h17A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h7k CATALASE

(Proteus
mirabilis) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 LEU A 297
GLY A 110
ASN A 127
ALA A  90
GLY A 195
 None
HEM  A 600 (-3.6A)
HEM  A 600 (-3.3A)
None
None
 1.17A 4n09A-1h7kA:
undetectable		 4n09A-1h7kA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE

(Sus scrofa) 		PF01180
(DHO_dh)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF14697
(Fer4_21) 		5 LEU A 572
CYH A 816
ALA A 549
ASN A 609
GLY A 764
 None
FMN  A1030 (-3.8A)
FMN  A1030 (-3.3A)
FMN  A1030 (-3.7A)
None
 1.12A 4n09A-1h7wA:
4.9		 4n09A-1h7wA:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ken INFLUENZA VIRUS
INFECTIVITY
NEUTRALIZING
ANTIBODY (HEAVY
CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU H   4
GLY H  32
ALA H  98
ASN H  58
GLY H  56
 None
 0.99A 4n09A-1kenH:
undetectable		 4n09A-1kenH:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nrw HYPOTHETICAL
PROTEIN, HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacillus
subtilis) 		PF08282
(Hydrolase_3) 		5 ASP A   7
LEU A   3
ASN A 240
ALA A   5
GLY A  42
 PO4  A 900 ( 2.6A)
None
PO4  A 900 (-3.6A)
None
PO4  A 900 (-3.8A)
 1.18A 4n09A-1nrwA:
4.0		 4n09A-1nrwA:
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.
1p4s ADENYLATE KINASE

(Mycobacterium
tuberculosis) 		PF00406
(ADK) 		5 ASP A  54
LEU A  45
GLY A  32
ALA A  49
GLY A  85
 None
 1.09A 4n09A-1p4sA:
2.5		 4n09A-1p4sA:
21.10
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.
1si8 CATALASE

(Enterococcus
faecalis) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 LEU A 297
GLY A 110
ASN A 127
ALA A  90
GLY A 195
 None
HEM  A 501 (-3.3A)
HEM  A 501 (-3.2A)
None
None
 1.16A 4n09A-1si8A:
undetectable		 4n09A-1si8A:
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.
1tz6 PUTATIVE SUGAR
KINASE

(Salmonella
enterica) 		PF00294
(PfkB) 		5 ASP A  16
GLY A  31
ASN A  35
GLY A 249
ASP A 252
 AIS  A 402 (-2.5A)
AIS  A 402 (-3.8A)
AIS  A 402 (-3.9A)
AIS  A 402 ( 4.5A)
AIS  A 402 (-3.0A)
 0.46A 4n09A-1tz6A:
30.6		 4n09A-1tz6A:
24.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		5 LEU A 170
GLY A  34
ASN A  38
GLY A 248
ASP A 251
 None
 0.97A 4n09A-1v19A:
30.9		 4n09A-1v19A:
28.84
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.
1ve0 HYPOTHETICAL PROTEIN
(ST2072)

(Sulfurisphaera
tokodaii) 		PF01894
(UPF0047) 		5 ASN A  63
ALA A  65
PHE A  16
GLY A  73
ASP A  72
 None
 1.23A 4n09A-1ve0A:
undetectable		 4n09A-1ve0A:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wye 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Sulfurisphaera
tokodaii) 		PF00294
(PfkB) 		5 LEU A 169
GLY A  34
ASN A  38
GLY A 253
ASP A 256
 None
 1.16A 4n09A-1wyeA:
31.2		 4n09A-1wyeA:
24.93
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.
1wye 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Sulfurisphaera
tokodaii) 		PF00294
(PfkB) 		5 LEU A 169
GLY A  34
ASN A  38
GLY A 255
ASP A 256
 None
 1.22A 4n09A-1wyeA:
31.2		 4n09A-1wyeA:
24.93
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.
1x2b PROLINE
IMINOPEPTIDASE

(Serratia
marcescens) 		PF00561
(Abhydrolase_1) 		5 CYH A 271
ASN A 275
LEU A 249
GLY A 137
GLY A 111
 STX  A 401 ( 4.9A)
None
None
None
None
 1.20A 4n09A-1x2bA:
undetectable		 4n09A-1x2bA:
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 LEU A  83
GLY A 430
ALA A  84
GLY A 376
ASP A 520
 None
 1.15A 4n09A-1z8lA:
undetectable		 4n09A-1z8lA:
19.72
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.
2abq FRUCTOSE 1-PHOSPHATE
KINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		6 ASN A   8
ASP A  12
GLY A  37
ASN A  41
GLY A 246
ASP A 249
 None
 1.18A 4n09A-2abqA:
26.7		 4n09A-2abqA:
24.93
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.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 LEU A 171
GLY A  33
ASN A  37
GLY A 277
ASP A 280
 None
 1.05A 4n09A-2afbA:
30.8		 4n09A-2afbA:
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.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		6 ASN A   8
ASP A  12
GLY A  40
ASN A  44
GLY A 258
ASP A 261
 None
ACT  A 321 (-3.1A)
ACT  A 321 (-3.9A)
ACT  A 321 (-3.9A)
None
None
 1.04A 4n09A-2ajrA:
25.3		 4n09A-2ajrA:
25.13
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.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		5 ASP A  17
GLY A  43
ASN A  47
GLY A 244
ASP A 247
 ADN  A1301 (-2.8A)
ADN  A1301 (-3.3A)
ADN  A1301 (-3.4A)
None
ADN  A1301 (-2.9A)
 0.66A 4n09A-2c49A:
29.7		 4n09A-2c49A:
25.40
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.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		6 ASN A   8
ASP A  12
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)
 1.10A 4n09A-2f02A:
26.5		 4n09A-2f02A:
25.45
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.
2ffj CONSERVED
HYPOTHETICAL PROTEIN

(Archaeoglobus
fulgidus) 		PF01937
(DUF89) 		5 ASP A 194
LEU A  11
GLY A 221
ASN A 248
GLY A 245
 None
None
None
None
SO4  A 291 (-3.4A)
 1.05A 4n09A-2ffjA:
3.6		 4n09A-2ffjA:
22.75
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.
2i0m PHOSPHATE TRANSPORT
SYSTEM PROTEIN PHOU

(Streptococcus
pneumoniae) 		PF01895
(PhoU) 		5 LEU A  31
GLY A  94
ALA A  30
PHE A 193
GLY A  20
 None
 1.18A 4n09A-2i0mA:
undetectable		 4n09A-2i0mA:
20.73
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) 		8 ASN A  14
ASP A  18
GLY A  64
ASN A  68
CYH A 123
ALA A 136
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
None
89I  A 500 (-3.5A)
None
None
89I  A 500 (-3.4A)
None
None
 0.82A 4n09A-2i6bA:
42.8		 4n09A-2i6bA:
40.22
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) 		6 ASN A  14
GLY A  64
ASN A  68
PHE A 170
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
89I  A 500 (-3.5A)
None
89I  A 500 (-3.8A)
None
None
 0.52A 4n09A-2i6bA:
42.8		 4n09A-2i6bA:
40.22
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) 		5 ASP A  18
LEU A  40
CYH A 123
ALA A 136
ASN A  68
 None
89I  A 500 ( 4.8A)
None
89I  A 500 (-3.4A)
None
 1.20A 4n09A-2i6bA:
42.8		 4n09A-2i6bA:
40.22
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) 		8 ASP A  18
LEU A  40
GLY A  64
ASN A  68
CYH A 123
ALA A 136
GLY A 297
ASP A 300
 None
89I  A 500 ( 4.8A)
89I  A 500 (-3.5A)
None
None
89I  A 500 (-3.4A)
None
None
 0.77A 4n09A-2i6bA:
42.8		 4n09A-2i6bA:
40.22
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.
2isa CATALASE

(Aliivibrio
salmonicida) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 LEU A 297
GLY A 110
ASN A 127
ALA A  90
GLY A 195
 None
HEM  A 486 (-3.6A)
HEM  A 486 (-3.4A)
None
None
 1.17A 4n09A-2isaA:
undetectable		 4n09A-2isaA:
22.97
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.
2jg5 FRUCTOSE 1-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		6 ASN A   8
ASP A  12
GLY A  37
ASN A  41
GLY A 246
ASP A 249
 None
 1.23A 4n09A-2jg5A:
26.0		 4n09A-2jg5A:
24.66
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.
2jis CYSTEINE SULFINIC
ACID DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 ASP A 273
LEU A 162
GLY A 152
ASN A 302
ALA A 159
 PLP  A1494 (-2.7A)
None
PLP  A1494 (-3.5A)
PLP  A1494 (-3.5A)
None
 1.20A 4n09A-2jisA:
3.9		 4n09A-2jisA:
21.71
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.
2qcv PUTATIVE
5-DEHYDRO-2-DEOXYGLU
CONOKINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		5 ASP A  22
GLY A  44
ASN A  48
GLY A 269
ASP A 272
 None
None
None
None
PGE  A 332 (-3.6A)
 0.51A 4n09A-2qcvA:
31.1		 4n09A-2qcvA:
24.28
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.
2x1c ACYL-COENZYME

(Penicillium
chrysogenum) 		PF03417
(AAT) 		5 ASP A 264
LEU A 275
ASN A 246
GLY A 102
ASP A 121
 None
 1.09A 4n09A-2x1cA:
undetectable		 4n09A-2x1cA:
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.
2z8z LIPASE

(Pseudomonas sp.
MIS38) 		PF00353
(HemolysinCabind) 		5 ASN A 441
GLY A 403
ASN A 405
GLY A 382
ASP A 400
 None
CA  A 621 ( 4.7A)
CA  A 621 (-2.8A)
CA  A 621 ( 4.8A)
CA  A 621 (-2.3A)
 0.99A 4n09A-2z8zA:
undetectable		 4n09A-2z8zA:
20.95
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.
3bv6 METAL-DEPENDENT
HYDROLASE

(Vibrio cholerae) 		PF13483
(Lactamase_B_3) 		5 LEU A 114
ALA A 112
ASN A  55
GLY A  54
ASP A 174
 None
 1.18A 4n09A-3bv6A:
undetectable		 4n09A-3bv6A:
19.33
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.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		6 ASP A  13
LEU A 167
GLY A  34
ASN A  38
GLY A 244
ASP A 247
 None
 1.08A 4n09A-3ewmA:
29.8		 4n09A-3ewmA:
23.74
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.
3f6m 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF02542
(YgbB) 		5 LEU A  50
GLY A  23
ALA A  46
GLY A  39
ASP A  38
 None
 1.15A 4n09A-3f6mA:
undetectable		 4n09A-3f6mA:
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.
3fle SE_1780 PROTEIN

(Staphylococcus
epidermidis) 		PF06028
(DUF915) 		5 ASN A 118
GLY A 146
ASN A 147
PHE A 115
GLY A 174
 None
 1.22A 4n09A-3fleA:
3.6		 4n09A-3fleA:
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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 ASP A  25
GLY A  51
ASN A  55
GLY A 239
ASP A 242
 RIB  A 305 (-2.8A)
RIB  A 305 (-3.1A)
RIB  A 305 (-3.2A)
RIB  A 305 ( 4.5A)
RIB  A 305 (-2.9A)
 0.45A 4n09A-3go7A:
28.9		 4n09A-3go7A:
27.44
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.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		5 ASP A  33
LEU A 188
GLY A  55
ASN A  59
ASP A 275
 None
 0.88A 4n09A-3hj6A:
28.1		 4n09A-3hj6A:
24.93
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.
3hwu PUTATIVE DNA-BINDING
PROTEIN

(Cupriavidus
pinatubonensis) 		PF03479
(DUF296) 		5 GLY A  71
ASN A 102
CYH A 144
PHE A  69
GLY A 120
 None
 1.23A 4n09A-3hwuA:
undetectable		 4n09A-3hwuA:
19.32
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  38
ASN A  42
GLY A 229
ASP A 232
 None
 0.83A 4n09A-3i3yA:
26.4		 4n09A-3i3yA:
23.16
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.
3i4f 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Bacillus
thuringiensis) 		PF13561
(adh_short_C2) 		5 ASP A 255
LEU A 240
GLY A 253
ALA A 237
GLY A 223
 None
 1.13A 4n09A-3i4fA:
7.8		 4n09A-3i4fA:
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4) 		5 GLY 3 294
CYH 3 263
ASN 3 225
GLY 3 224
ASP 3 292
 SF4  3 786 (-3.4A)
SF4  3 786 (-2.2A)
None
None
None
 1.20A 4n09A-3i9v3:
3.8		 4n09A-3i9v3:
19.52
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.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH

(Escherichia
coli) 		PF00294
(PfkB) 		5 ASP A  15
GLY A  42
ASN A  46
GLY A 257
ASP A 260
 None
None
None
NA  A 411 ( 4.9A)
None
 0.72A 4n09A-3in1A:
30.9		 4n09A-3in1A:
26.13
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.
3isl PURINE CATABOLISM
PROTEIN PUCG

(Bacillus
subtilis) 		PF00266
(Aminotran_5) 		5 CYH A 328
GLY A 152
CYH A 321
PHE A 316
GLY A  97
 None
 0.89A 4n09A-3islA:
5.5		 4n09A-3islA:
22.75
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.
3ive NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 ASP A 245
LEU A 166
GLY A 243
ALA A 209
GLY A 263
 None
 1.13A 4n09A-3iveA:
undetectable		 4n09A-3iveA:
21.93
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  64
ASN A  68
CYH A 122
ALA A 135
PHE A 168
GLY A 297
ASP A 300
 B4P  A 349 ( 4.0A)
B4P  A 349 (-2.8A)
None
B4P  A 349 (-3.5A)
B4P  A 349 (-3.6A)
B4P  A 349 (-3.6A)
B4P  A 349 (-3.4A)
B4P  A 349 (-3.4A)
B4P  A 349 (-2.9A)
B4P  A 349 (-3.4A)
 0.46A 4n09A-3looA:
48.1		 4n09A-3looA:
36.72
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
LEU A  40
GLY A  64
ASN A  68
CYH A 122
ALA A 135
PHE A 168
ASN A 296
GLY A 297
ASP A 300
 B4P  A 349 ( 4.0A)
None
B4P  A 349 (-3.5A)
B4P  A 349 (-3.6A)
B4P  A 349 (-3.6A)
B4P  A 349 (-3.4A)
B4P  A 349 (-3.4A)
B4P  A 349 (-3.6A)
B4P  A 349 (-2.9A)
B4P  A 349 (-3.4A)
 0.78A 4n09A-3looA:
48.1		 4n09A-3looA:
36.72
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) 		6 GLY A  63
ASN A  68
CYH A 122
ALA A 135
GLY A 297
ASP A 300
 B4P  A 349 ( 3.8A)
B4P  A 349 (-3.6A)
B4P  A 349 (-3.6A)
B4P  A 349 (-3.4A)
B4P  A 349 (-2.9A)
B4P  A 349 (-3.4A)
 1.17A 4n09A-3looA:
48.1		 4n09A-3looA:
36.72
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.
3oib ACYL-COA
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 CYH A 113
LEU A  62
GLY A  73
ALA A  66
PHE A 111
 None
IOD  A 502 ( 4.4A)
None
None
None
 1.20A 4n09A-3oibA:
undetectable		 4n09A-3oibA:
22.67
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) 		5 ASP A  17
LEU A  39
CYH A 123
ALA A 136
ASN A  67
 AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.7A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
 1.21A 4n09A-3otxA:
58.6		 4n09A-3otxA:
99.14
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 ASP A  17
LEU A  39
CYH A 123
ALA A 136
PHE A 169
GLY A 296
 AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.7A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.2A)
 0.71A 4n09A-3otxA:
58.6		 4n09A-3otxA:
99.14
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) 		10 CYH A  12
ASN A  13
ASP A  17
LEU A  39
GLY A  63
ASN A  67
CYH A 123
ALA A 136
PHE A 169
ASP A 299
 AP5  A 346 (-3.6A)
AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.7A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.18A 4n09A-3otxA:
58.6		 4n09A-3otxA:
99.14
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) 		7 CYH A  12
ASN A  13
LEU A  39
ASN A  67
PHE A 169
GLY A 298
ASP A 299
 AP5  A 346 (-3.6A)
AP5  A 346 (-4.1A)
None
AP5  A 346 (-3.4A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.2A)
AP5  A 346 ( 3.2A)
 1.15A 4n09A-3otxA:
58.6		 4n09A-3otxA:
99.14
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.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		5 ASP A  19
GLY A  41
ASN A  45
GLY A 261
ASP A 264
 None
 0.54A 4n09A-3pl2A:
31.0		 4n09A-3pl2A:
26.46
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.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		6 ASN A   8
ASP A  12
GLY A  38
CYH A  92
GLY A 248
ASP A 251
 None
 0.96A 4n09A-3q1yA:
26.1		 4n09A-3q1yA:
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.
3q3u LIGNIN PEROXIDASE

(Trametopsis
cervina) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 ASN A 134
LEU A  99
GLY A 106
ALA A  98
ASP A  48
 None
None
None
None
CA  A 340 (-3.3A)
 1.04A 4n09A-3q3uA:
undetectable		 4n09A-3q3uA:
23.66
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.
3stt METHYLKETONE
SYNTHASE I

(Solanum
habrochaites) 		PF12697
(Abhydrolase_6) 		5 LEU A  83
GLY A 203
ALA A 107
ASN A 230
GLY A 116
 None
 1.12A 4n09A-3sttA:
5.0		 4n09A-3sttA:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t32 AMINOTRANSFERASE,
CLASS I/II

(Bacillus
anthracis) 		PF00155
(Aminotran_1_2) 		5 ASN A 294
LEU A 375
CYH A 299
ALA A 298
GLY A 170
 None
 1.19A 4n09A-3t32A:
undetectable		 4n09A-3t32A:
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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		7 ASN A  11
ASP A  15
LEU A  37
GLY A  59
ASN A  63
GLY A 275
ASP A 278
 ADN  A 353 (-3.7A)
ADN  A 353 (-2.8A)
None
ADN  A 353 (-3.2A)
ADN  A 353 (-3.4A)
ADN  A 353 (-3.7A)
ADN  A 353 (-3.3A)
 0.52A 4n09A-3uboA:
39.6		 4n09A-3uboA:
29.10
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 LEU A1220
GLY A1252
ASN A1251
ALA A1219
GLY A1150
 None
 1.21A 4n09A-3ummA:
2.1		 4n09A-3ummA:
14.55
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) 		9 ASN A  14
ASP A  18
LEU A  40
GLY A  64
ASN A  68
PHE A 169
ASN A 298
GLY A 299
ASP A 302
 ADN  A 401 ( 4.0A)
ADN  A 401 (-2.7A)
None
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
ADN  A 401 ( 3.8A)
ADN  A 401 (-2.9A)
 0.43A 4n09A-3vasA:
47.3		 4n09A-3vasA:
30.27
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 ASP A  18
LEU A 138
PHE A 169
ASN A 298
GLY A 299
ASP A 302
 ADN  A 401 (-2.7A)
ADN  A 401 (-4.9A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
ADN  A 401 ( 3.8A)
ADN  A 401 (-2.9A)
 1.39A 4n09A-3vasA:
47.3		 4n09A-3vasA:
30.27
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.
3wp5 CDBFV

(Neocallimastix
patriciarum) 		PF00457
(Glyco_hydro_11) 		5 ASN A 207
GLY A 209
ASN A  54
ASN A  38
GLY A  36
 None
 1.10A 4n09A-3wp5A:
undetectable		 4n09A-3wp5A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zs6 PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Burkholderia
pseudomallei) 		PF00496
(SBP_bac_5) 		5 ASN A  76
LEU A 151
GLY A  79
ASN A 225
GLY A 226
 None
 1.13A 4n09A-3zs6A:
undetectable		 4n09A-3zs6A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4beq ALANINE RACEMASE 2

(Vibrio cholerae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 LEU A 256
GLY A 169
ASN A 167
PHE A 220
GLY A 175
 None
 1.16A 4n09A-4beqA:
undetectable		 4n09A-4beqA:
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		7 ASN A   9
ASP A  13
LEU A  35
GLY A  57
ASN A  61
GLY A 273
ASP A 276
 ADN  A 500 (-3.8A)
ADN  A 500 (-2.7A)
None
ADN  A 500 (-3.7A)
ADN  A 500 (-3.5A)
ADN  A 500 (-3.9A)
ADN  A 500 (-2.8A)
 0.45A 4n09A-4e3aA:
41.0		 4n09A-4e3aA:
25.63
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		5 ASP A  13
LEU A 129
ASN A  61
GLY A 273
ASP A 276
 ADN  A 500 (-2.7A)
None
ADN  A 500 (-3.5A)
ADN  A 500 (-3.9A)
ADN  A 500 (-2.8A)
 1.17A 4n09A-4e3aA:
41.0		 4n09A-4e3aA:
25.63
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.
4e84 D-BETA-D-HEPTOSE
7-PHOSPHATE KINASE

(Burkholderia
cenocepacia) 		PF00294
(PfkB) 		5 ASP A  29
GLY A  59
ASN A  62
GLY A 267
ASP A 270
 M7B  A 502 (-2.9A)
M7B  A 502 (-3.6A)
None
M7B  A 502 (-3.7A)
M7B  A 502 (-3.1A)
 1.16A 4n09A-4e84A:
27.1		 4n09A-4e84A:
23.20
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.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		5 LEU A 172
GLY A  34
ASN A  38
GLY A 267
ASP A 270
 None
GOL  A 401 (-3.7A)
GOL  A 401 (-4.4A)
GOL  A 401 ( 4.5A)
GOL  A 401 (-3.0A)
 0.95A 4n09A-4gm6A:
29.2		 4n09A-4gm6A:
21.58
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.
4kna N-SUCCINYLGLUTAMATE
5-SEMIALDEHYDE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00171
(Aldedh) 		5 GLY A 426
ALA A 437
PHE A 443
ASN A 249
GLY A 247
 None
 1.21A 4n09A-4knaA:
3.5		 4n09A-4knaA:
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.
4ktb PUTATIVE
UNCHARACTERIZED
PROTEIN

(Jonesia
denitrificans) 		PF16262
(DUF4916) 		5 LEU A 178
GLY A 186
ALA A 181
GLY A  51
ASP A  52
 None
 1.12A 4n09A-4ktbA:
undetectable		 4n09A-4ktbA:
20.28
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.
4m8n PLEXINC1
INTRACELLULAR REGION
RAS-RELATED PROTEIN
RAP-1B

(Danio rerio;
Homo sapiens) 		PF00071
(Ras)
PF08337
(Plexin_cytopl) 		5 ASN A1005
LEU A1000
PHE E  64
GLY A1025
ASP A1024
 None
 1.08A 4n09A-4m8nA:
undetectable		 4n09A-4m8nA:
20.85
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.
4pvv ADENOSINE KINASE

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 ASP A 257
ALA A 146
PHE A 116
GLY A  47
ASP A  12
 HO4  A 401 (-3.3A)
HO4  A 401 (-4.3A)
HO4  A 401 (-3.6A)
HO4  A 401 (-3.5A)
HO4  A 401 (-2.4A)
 1.05A 4n09A-4pvvA:
28.2		 4n09A-4pvvA:
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.
4tl9 CIRCADIAN CLOCK
PROTEIN KINASE KAIC

(Synechococcus
elongatus) 		PF06745
(ATPase) 		5 ASN A 245
LEU A  54
GLY A  27
GLY A  35
ASP A  29
 None
AGS  A 303 (-4.2A)
None
None
None
 1.12A 4n09A-4tl9A:
3.0		 4n09A-4tl9A:
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.
4uoz BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 LEU A 140
GLY A 162
ALA A 139
ASN A 169
GLY A 166
 None
 0.91A 4n09A-4uozA:
4.0		 4n09A-4uozA:
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.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		5 ASP A  11
GLY A  30
ASN A  34
GLY A 246
ASP A 249
 None
None
None
ANP  A 401 (-3.3A)
ANP  A 401 ( 4.3A)
 0.50A 4n09A-4wjmA:
29.9		 4n09A-4wjmA:
26.26
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.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		5 GLY A  30
ASN A  34
ALA A  85
GLY A 246
ASP A 249
 None
None
None
ANP  A 401 (-3.3A)
ANP  A 401 ( 4.3A)
 0.98A 4n09A-4wjmA:
29.9		 4n09A-4wjmA:
26.26
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.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		5 LEU A  42
ASN A 157
ALA A  38
GLY A 126
ASP A 155
 None
ANP  A 401 (-3.6A)
None
None
None
 1.11A 4n09A-4wjmA:
29.9		 4n09A-4wjmA:
26.26
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.
4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN

(Homo sapiens) 		PF00017
(SH2)
PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B)
PF16454
(PI3K_P85_iSH2) 		5 LEU A1396
ASN A1370
ALA A1400
ASN A 377
GLY A 376
 None
 1.21A 4n09A-4yknA:
undetectable		 4n09A-4yknA:
12.42
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.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT GAMMA

(Schizosaccharomyces
pombe) 		PF00483
(NTP_transferase) 		5 LEU E  64
CYH E 148
ALA E  63
ASN E  49
ASP E 124
 None
 1.06A 4n09A-5b04E:
undetectable		 4n09A-5b04E:
20.04
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.
5c41 RIBOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 ASP A  27
GLY A  53
ASN A  57
GLY A 266
ASP A 269
 None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.46A 4n09A-5c41A:
29.7		 4n09A-5c41A:
25.69
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.
5cwv NUCLEOPORIN NUP192

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		5 ASN A1527
LEU A1586
CYH A1520
GLY A1472
ASP A1473
 None
 1.21A 4n09A-5cwvA:
undetectable		 4n09A-5cwvA:
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		5 GLY A 317
ASN A 301
PHE A 656
ASN A 558
GLY A 590
 None
 1.17A 4n09A-5dkxA:
undetectable		 4n09A-5dkxA:
16.53
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.
5e7q ACYL-COA SYNTHETASE

(Streptomyces
platensis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 198
GLY A 223
ASN A 233
ALA A 195
GLY A 231
 None
 1.13A 4n09A-5e7qA:
2.7		 4n09A-5e7qA:
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.
5ey7 FRUCTOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 ASP A  30
GLY A  45
ASN A  49
GLY A 263
ASP A 266
 None
 0.72A 4n09A-5ey7A:
31.2		 4n09A-5ey7A:
23.88
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.
5i73 8B6 ANTIBODY, HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU B 102
GLY B  68
ASN B  69
ALA B  87
GLY B  76
 None
 1.20A 4n09A-5i73B:
undetectable		 4n09A-5i73B:
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.
5jwr CIRCADIAN CLOCK
PROTEIN KINASE KAIC

(Thermosynechococcus
elongatus) 		PF06745
(ATPase) 		5 ASN A 245
LEU A  55
GLY A  28
GLY A  36
ASP A  30
 None
 1.05A 4n09A-5jwrA:
4.6		 4n09A-5jwrA:
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.
5o0j ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
horikoshii) 		no annotation 5 ASP A  37
GLY A 115
ALA A 204
GLY A 440
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.7A)
None
GLC  A 503 ( 4.1A)
GLC  A 503 (-2.6A)
 0.96A 4n09A-5o0jA:
24.1		 4n09A-5o0jA:
13.51
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
LEU A  93
GLY A 115
ALA A 204
GLY A 440
 GLC  A 503 (-2.7A)
None
GLC  A 503 (-3.7A)
None
GLC  A 503 ( 4.1A)
 1.15A 4n09A-5o0jA:
24.1		 4n09A-5o0jA:
13.51
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.
5o3w PEPTIDE CYCLASE 1

(Gypsophila
vaccaria) 		no annotation 5 LEU A 292
GLY A 307
PHE A 310
GLY A 248
ASP A 247
 None
 1.16A 4n09A-5o3wA:
undetectable		 4n09A-5o3wA:
12.24
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.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 5 ASP A  28
GLY A 107
ALA A 201
GLY A 439
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.7A)
None
PO4  A 504 (-3.1A)
GLC  A 501 ( 2.6A)
 0.81A 4n09A-5od2A:
22.4		 4n09A-5od2A:
14.46
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.
5odp -

(-) 		no annotation 5 LEU A  62
CYH A  30
ALA A  58
PHE A  78
GLY A  15
 None
 1.15A 4n09A-5odpA:
undetectable		 4n09A-5odpA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cw5 RIBOKINASE

(Cryptococcus
neoformans) 		no annotation 5 ASP A  16
GLY A  42
ASN A  46
GLY A 270
ASP A 273
 GOL  A 400 (-2.8A)
GOL  A 400 (-3.3A)
GOL  A 400 (-3.3A)
None
None
 0.56A 4n09A-6cw5A:
31.9		 4n09A-6cw5A:
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.
6eua ANGIOPOIETIN-RELATED
PROTEIN 3

(Homo sapiens) 		no annotation 5 ASN A 301
ASN A 296
PHE A 306
ASN A 412
GLY A 415
 None
 1.19A 4n09A-6euaA:
undetectable		 4n09A-6euaA:
12.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f1j -

(-) 		no annotation 5 ASN A 267
LEU A 324
GLY A 269
ALA A 325
GLY A  38
 None
 1.13A 4n09A-6f1jA:
undetectable		 4n09A-6f1jA:
undetectable