SIMILAR PATTERNS OF AMINO ACIDS FOR 4N09_D_ADND401_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
 0.96A 4n09D-1b0kA:
undetectable		 4n09D-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) 		7 ASN A  20
ASP A  24
GLY A  68
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 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.48A 4n09D-1dgmA:
41.5		 4n09D-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) 		8 ASP A  24
LEU A  46
GLY A  68
GLY A  69
ASN A  73
CYH A 127
GLY A 315
ASP A 318
 ADN  A 375 (-2.9A)
None
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.2A)
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.61A 4n09D-1dgmA:
41.5		 4n09D-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) 		6 LEU A 334
GLY A  16
GLY A  15
ALA A 317
ASN A 304
GLY A 140
 None
None
FAD  A 451 (-3.5A)
None
None
FAD  A 451 (-3.5A)
 1.02A 4n09D-1geuA:
4.9		 4n09D-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.
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)
 0.35A 4n09D-1rk2A:
33.3		 4n09D-1rk2A:
26.40
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.
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)
 0.54A 4n09D-1tz6A:
30.5		 4n09D-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) 		6 LEU A 170
GLY A  33
GLY A  34
ASN A  38
GLY A 248
ASP A 251
 None
 1.01A 4n09D-1v19A:
30.6		 4n09D-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.
1vef ACETYLORNITHINE/ACET
YL-LYSINE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00202
(Aminotran_3) 		5 GLY A 257
GLY A 294
ALA A  69
ASN A 287
GLY A 286
 None
 0.95A 4n09D-1vefA:
3.2		 4n09D-1vefA:
23.11
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.
1vgp 373AA LONG
HYPOTHETICAL CITRATE
SYNTHASE

(Sulfurisphaera
tokodaii) 		PF00285
(Citrate_synt) 		5 LEU A  27
GLY A 216
GLY A 217
ASN A 219
GLY A 251
 None
 0.91A 4n09D-1vgpA:
undetectable		 4n09D-1vgpA:
23.21
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.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ASP A  14
GLY A  39
GLY A  40
ASN A  44
ASP A 246
 None
 0.57A 4n09D-1vm7A:
31.8		 4n09D-1vm7A:
26.87
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.
2abq FRUCTOSE 1-PHOSPHATE
KINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		7 ASN A   8
ASP A  12
GLY A  36
GLY A  37
ASN A  41
GLY A 246
ASP A 249
 None
 1.17A 4n09D-2abqA:
26.5		 4n09D-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) 		6 LEU A 171
GLY A  32
GLY A  33
ASN A  37
GLY A 277
ASP A 280
 None
 1.07A 4n09D-2afbA:
30.6		 4n09D-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) 		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
 1.04A 4n09D-2ajrA:
25.5		 4n09D-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) 		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)
 0.77A 4n09D-2c49A:
29.5		 4n09D-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) 		7 ASN A   8
ASP A  12
GLY A  36
GLY A  37
ASN A  41
GLY A 252
ASP A 255
 None
None
None
None
None
ATP  A 411 (-3.6A)
ATP  A 411 (-4.1A)
 1.07A 4n09D-2f02A:
26.2		 4n09D-2f02A:
25.45
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  63
GLY A  64
ASN A  68
CYH A 123
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
None
None
 0.67A 4n09D-2i6bA:
42.8		 4n09D-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) 		7 ASN A  14
GLY A  63
GLY A  64
ASN A  68
PHE A 170
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
None
89I  A 500 (-3.5A)
None
89I  A 500 (-3.8A)
None
None
 0.54A 4n09D-2i6bA:
42.8		 4n09D-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) 		9 ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
CYH A 123
ALA A 136
GLY A 297
ASP A 300
 None
89I  A 500 ( 4.8A)
None
89I  A 500 (-3.5A)
None
None
89I  A 500 (-3.4A)
None
None
 0.67A 4n09D-2i6bA:
42.8		 4n09D-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 LEU A  40
GLY A  64
ASN A  68
CYH A 123
ALA A 136
GLY A 297
 89I  A 500 ( 4.8A)
89I  A 500 (-3.5A)
None
None
89I  A 500 (-3.4A)
None
 1.33A 4n09D-2i6bA:
42.8		 4n09D-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.
2i6x HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Porphyromonas
gingivalis) 		PF13419
(HAD_2) 		5 ASP A 172
LEU A  37
GLY A  11
GLY A  10
ASN A 176
 None
 0.85A 4n09D-2i6xA:
4.1		 4n09D-2i6xA:
22.99
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.
2ibu ACETYL-COA
ACETYLTRANSFERASE

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ASN A 158
LEU A  67
GLY A  97
ALA A  64
GLY A 183
 None
 1.00A 4n09D-2ibuA:
undetectable		 4n09D-2ibuA:
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.
2ify 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Bacillus
anthracis) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ASP A 402
GLY A  12
GLY A 445
ALA A 460
GLY A  64
 MN  A 601 (-2.4A)
None
None
None
None
 0.84A 4n09D-2ifyA:
5.0		 4n09D-2ifyA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jg5 FRUCTOSE 1-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		7 ASN A   8
ASP A  12
GLY A  36
GLY A  37
ASN A  41
GLY A 246
ASP A 249
 None
 1.19A 4n09D-2jg5A:
25.9		 4n09D-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.
2jgv TAGATOSE-6-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  36
GLY A  37
ASN A  41
ASP A 254
 None
 0.86A 4n09D-2jgvA:
25.7		 4n09D-2jgvA:
22.79
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.
2jgv TAGATOSE-6-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  36
GLY A  37
ASN A  41
CYH A  90
 None
 0.99A 4n09D-2jgvA:
25.7		 4n09D-2jgvA:
22.79
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.
2jgv TAGATOSE-6-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 GLY A  36
GLY A  37
ASN A  41
GLY A 251
ASP A 254
 None
 0.71A 4n09D-2jgvA:
25.7		 4n09D-2jgvA:
22.79
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.
2nwh CARBOHYDRATE KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		5 ASP A  13
GLY A  37
GLY A  38
ASN A  42
ASP A 253
 None
None
CL  A 403 (-3.5A)
None
None
 0.97A 4n09D-2nwhA:
26.3		 4n09D-2nwhA:
27.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.56A 4n09D-2qcvA:
30.9		 4n09D-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.
2vaw CELL DIVISION
PROTEIN FTSZ

(Pseudomonas
aeruginosa) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 LEU A  83
GLY A  20
GLY A 110
ALA A  82
GLY A  72
 None
GDP  A1317 (-3.4A)
GDP  A1317 (-3.2A)
None
None
 0.96A 4n09D-2vawA:
8.6		 4n09D-2vawA:
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.
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)
 0.96A 4n09D-2z8zA:
undetectable		 4n09D-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.
3a8u OMEGA-AMINO
ACID--PYRUVATE
AMINOTRANSFERASE

(Pseudomonas
putida) 		PF00202
(Aminotran_3) 		5 LEU X 186
GLY X 416
GLY X 417
ASN X 168
GLY X 167
 None
 0.99A 4n09D-3a8uX:
undetectable		 4n09D-3a8uX:
25.05
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.
3czm L-LACTATE
DEHYDROGENASE

(Toxoplasma
gondii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASP A 143
GLY A 288
GLY A 193
ASN A 165
ASP A 168
 None
 0.99A 4n09D-3czmA:
5.9		 4n09D-3czmA:
20.27
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.
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
 1.05A 4n09D-3ewmA:
29.7		 4n09D-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.
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)
 0.54A 4n09D-3go7A:
28.7		 4n09D-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) 		6 ASP A  33
LEU A 188
GLY A  54
GLY A  55
ASN A  59
ASP A 275
 None
 0.80A 4n09D-3hj6A:
28.3		 4n09D-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.
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 4n09D-3i3yA:
26.1		 4n09D-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.
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
 0.73A 4n09D-3in1A:
31.1		 4n09D-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.
3ive NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A 373
GLY A 372
ASN A 370
GLY A 471
ASP A 472
 CTN  A 603 (-3.3A)
CTN  A 603 (-3.2A)
CTN  A 603 (-3.2A)
None
CTN  A 603 (-2.7A)
 0.98A 4n09D-3iveA:
undetectable		 4n09D-3iveA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jty BENF-LIKE PORIN

(Pseudomonas
protegens) 		PF03573
(OprD) 		5 GLY A 312
GLY A 311
ALA A 321
GLY A 153
ASP A 151
 None
 0.96A 4n09D-3jtyA:
undetectable		 4n09D-3jtyA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kfu GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermus
thermophilus) 		PF01425
(Amidase) 		5 LEU E 106
GLY E 143
GLY E 144
ALA E  64
GLY E  79
 None
 0.96A 4n09D-3kfuE:
undetectable		 4n09D-3kfuE:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.37A 4n09D-3kzhA:
28.1		 4n09D-3kzhA:
24.40
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.
3l44 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
1

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 GLY A 273
GLY A 313
ALA A  79
ASN A 306
GLY A 305
 LLP  A 270 ( 4.0A)
None
None
None
None
 0.81A 4n09D-3l44A:
undetectable		 4n09D-3l44A:
22.91
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) 		11 ASN A  14
ASP A  18
LEU A  40
GLY A  63
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 ( 3.8A)
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)
 0.55A 4n09D-3looA:
47.9		 4n09D-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)
 0.91A 4n09D-3looA:
47.9		 4n09D-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) 		7 ASN A  14
LEU A  40
GLY A  64
ASN A  68
PHE A 168
GLY A 299
ASP A 300
 B4P  A 349 ( 4.0A)
None
B4P  A 349 (-3.5A)
B4P  A 349 (-3.6A)
B4P  A 349 (-3.4A)
B4P  A 349 (-3.3A)
B4P  A 349 (-3.4A)
 1.12A 4n09D-3looA:
47.9		 4n09D-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)
 1.22A 4n09D-3looA:
47.9		 4n09D-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.
3mdq EXOPOLYPHOSPHATASE

(Cytophaga
hutchinsonii) 		PF02541
(Ppx-GppA) 		5 LEU A  61
GLY A  40
ALA A  57
ASN A  89
GLY A  87
 None
 0.99A 4n09D-3mdqA:
undetectable		 4n09D-3mdqA:
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.
3ngm EXTRACELLULAR LIPASE

(Fusarium
graminearum) 		PF01764
(Lipase_3) 		5 LEU A 157
GLY A  63
GLY A  64
ALA A 153
GLY A  19
 None
 0.99A 4n09D-3ngmA:
undetectable		 4n09D-3ngmA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3noq THIJ/PFPI FAMILY
PROTEIN

(Pseudomonas
fluorescens) 		PF01965
(DJ-1_PfpI) 		5 GLY A 150
GLY A 151
ALA A 123
GLY A  70
ASP A  17
 None
None
NHE  A 501 ( 4.4A)
NHE  A 501 ( 4.7A)
EDO  A 604 ( 4.6A)
 0.84A 4n09D-3noqA:
4.6		 4n09D-3noqA:
22.95
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 ASN A  13
ASP A  17
LEU A  39
GLY A  62
GLY A  63
ASN A  67
CYH A 123
ALA A 136
PHE A 169
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)
AP5  A 346 (-3.7A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.18A 4n09D-3otxA:
58.3		 4n09D-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 ASN A  13
LEU A  39
GLY A  63
ASN A  67
PHE A 169
GLY A 298
ASP A 299
 AP5  A 346 (-4.1A)
None
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.2A)
AP5  A 346 ( 3.2A)
 1.06A 4n09D-3otxA:
58.3		 4n09D-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 ASP A  17
LEU A  39
GLY A  62
GLY A  63
CYH A 123
ALA A 136
GLY A 296
 AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.7A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.2A)
 0.64A 4n09D-3otxA:
58.3		 4n09D-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) 		6 ASP A  19
GLY A  40
GLY A  41
ASN A  45
GLY A 261
ASP A 264
 None
 0.60A 4n09D-3pl2A:
30.9		 4n09D-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) 		7 ASN A   8
ASP A  12
GLY A  37
GLY A  38
CYH A  92
GLY A 248
ASP A 251
 None
 0.98A 4n09D-3q1yA:
26.1		 4n09D-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.
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
 0.51A 4n09D-3ry7A:
29.2		 4n09D-3ry7A:
25.78
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.
3shw TIGHT JUNCTION
PROTEIN ZO-1

(Homo sapiens) 		PF00595
(PDZ)
PF00625
(Guanylate_kin)
PF07653
(SH3_2) 		5 ASP A 517
LEU A 487
GLY A 516
GLY A 439
ALA A 483
 None
 0.97A 4n09D-3shwA:
undetectable		 4n09D-3shwA:
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.
3tsw TIGHT JUNCTION
PROTEIN ZO-1

(Homo sapiens) 		PF00595
(PDZ)
PF00625
(Guanylate_kin)
PF07653
(SH3_2) 		5 ASP A 517
LEU A 487
GLY A 516
GLY A 439
ALA A 483
 None
 0.99A 4n09D-3tswA:
undetectable		 4n09D-3tswA:
25.47
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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		8 ASN A  11
ASP A  15
LEU A  37
GLY A  58
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 (-3.3A)
ADN  A 353 (-3.2A)
ADN  A 353 (-3.4A)
ADN  A 353 (-3.7A)
ADN  A 353 (-3.3A)
 0.65A 4n09D-3uboA:
39.5		 4n09D-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.
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
 0.76A 4n09D-3uqeA:
26.4		 4n09D-3uqeA:
24.46
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.
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
 0.53A 4n09D-3uqeA:
26.4		 4n09D-3uqeA:
24.46
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) 		10 ASN A  14
ASP A  18
LEU A  40
GLY A  63
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 ( 3.8A)
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)
 0.54A 4n09D-3vasA:
47.4		 4n09D-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)
 1.46A 4n09D-3vasA:
47.4		 4n09D-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.
4b98 BETA-ALANINE--PYRUVA
TE TRANSAMINASE

(Pseudomonas
aeruginosa) 		PF00202
(Aminotran_3) 		5 LEU A 186
GLY A 416
GLY A 417
ASN A 169
GLY A 168
 None
 1.00A 4n09D-4b98A:
3.0		 4n09D-4b98A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		8 ASN A   9
ASP A  13
LEU A  35
GLY A  56
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 (-3.5A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.5A)
ADN  A 500 (-3.9A)
ADN  A 500 (-2.8A)
 0.55A 4n09D-4e3aA:
40.8		 4n09D-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) 		6 ASN A   9
LEU A  35
GLY A  57
ASN A  61
GLY A 275
ASP A 276
 ADN  A 500 (-3.8A)
None
ADN  A 500 (-3.7A)
ADN  A 500 (-3.5A)
None
ADN  A 500 (-2.8A)
 1.20A 4n09D-4e3aA:
40.8		 4n09D-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  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)
 0.94A 4n09D-4e84A:
26.6		 4n09D-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.
4emd 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE

(Mycobacteroides
abscessus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 ASP A 117
GLY A 114
GLY A 113
ALA A  49
GLY A  68
 None
SO4  A 402 (-3.4A)
SO4  A 402 (-3.8A)
None
None
 0.97A 4n09D-4emdA:
undetectable		 4n09D-4emdA:
24.20
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) 		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)
 0.98A 4n09D-4gm6A:
29.3		 4n09D-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.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A 393
GLY A 392
ASN A 390
GLY A 505
ASP A 506
 None
 0.83A 4n09D-4h1sA:
undetectable		 4n09D-4h1sA:
21.98
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.
4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13419
(HAD_2) 		5 ASP A 172
LEU A  37
GLY A  11
GLY A  10
ASN A 176
 NA  A 301 (-2.8A)
None
NA  A 301 ( 4.0A)
NA  A 301 (-4.4A)
None
 0.92A 4n09D-4jb3A:
2.9		 4n09D-4jb3A:
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.
4oh1 L-IDITOL
2-DEHYDROGENASE

([Clostridium]
scindens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 162
GLY A 182
GLY A 183
ALA A 161
GLY A  46
 None
None
None
None
OCS  A  45 ( 2.4A)
 0.97A 4n09D-4oh1A:
5.6		 4n09D-4oh1A:
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.
4oon PENICILLIN-BINDING
PROTEIN 1A

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		5 LEU A 685
GLY A 709
GLY A 694
ALA A 684
GLY A 697
 None
None
None
None
2U4  A 901 (-3.7A)
 0.99A 4n09D-4oonA:
undetectable		 4n09D-4oonA:
20.30
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.
4rlb CARBAPENEM-ASSOCIATE
D RESISTANCE PROTEIN

(Acinetobacter
baumannii) 		no annotation 5 LEU A  35
GLY A 151
ALA A  45
PHE A 165
GLY A 218
 None
 1.00A 4n09D-4rlbA:
undetectable		 4n09D-4rlbA:
19.48
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.
4uhm OMEGA AMINO
ACID-PYRUVATE
AMINOTRANSFERASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		5 LEU A 186
GLY A 416
GLY A 417
ASN A 169
GLY A 168
 None
None
None
CL  A1459 (-3.2A)
None
 0.96A 4n09D-4uhmA:
2.7		 4n09D-4uhmA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.87A 4n09D-4uozA:
4.2		 4n09D-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) 		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)
 0.52A 4n09D-4wjmA:
29.9		 4n09D-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)
 0.99A 4n09D-4wjmA:
29.9		 4n09D-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 162
GLY A  29
GLY A  30
ASN A  34
ASP A 249
 None
None
None
None
ANP  A 401 ( 4.3A)
 0.93A 4n09D-4wjmA:
29.9		 4n09D-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.
4x8f RIBOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 ASP A  13
GLY A  38
GLY A  39
ASN A  43
ASP A 252
 None
 0.55A 4n09D-4x8fA:
29.7		 4n09D-4x8fA:
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.
4z42 UREASE SUBUNIT ALPHA
UREASE SUBUNIT BETA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		6 ASN C 104
ASP C 109
LEU B 124
GLY C 110
ASN B  50
GLY C  40
 None
 1.48A 4n09D-4z42C:
2.4		 4n09D-4z42C:
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		6 LEU A 296
GLY A 343
GLY A 345
ASN A 340
ALA A 316
ASP A 347
 None
 1.49A 4n09D-5az4A:
undetectable		 4n09D-5az4A:
18.35
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.
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)
 0.55A 4n09D-5c41A:
32.4		 4n09D-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.
5da0 SULPHATE TRANSPORTER

(Deinococcus
geothermalis) 		PF00916
(Sulfate_transp)
PF01740
(STAS) 		5 LEU A  35
GLY A 298
GLY A  72
ALA A 305
GLY A  68
 None
 0.98A 4n09D-5da0A:
undetectable		 4n09D-5da0A:
21.92
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.
5ey7 FRUCTOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 ASP A  30
GLY A  44
GLY A  45
ASN A  49
ASP A 266
 None
 0.45A 4n09D-5ey7A:
31.1		 4n09D-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.
5ey7 FRUCTOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 ASP A  30
GLY A  45
ASN A  49
GLY A 263
ASP A 266
 None
 0.82A 4n09D-5ey7A:
31.1		 4n09D-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.
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
 0.86A 4n09D-5h7wA:
undetectable		 4n09D-5h7wA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h8y SULFITE REDUCTASE
[FERREDOXIN],
CHLOROPLASTIC

(Zea mays) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 LEU A 497
GLY A 543
CYH A 494
ALA A 496
GLY A 553
 None
SF4  A 701 (-4.4A)
SF4  A 701 ( 2.2A)
SF4  A 701 ( 3.9A)
None
 0.91A 4n09D-5h8yA:
undetectable		 4n09D-5h8yA:
20.07
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.
5iof SULPHATE TRANSPORTER

(Deinococcus
geothermalis) 		PF00916
(Sulfate_transp) 		5 LEU A  35
GLY A 298
GLY A  72
ALA A 305
GLY A  68
 None
 0.98A 4n09D-5iofA:
undetectable		 4n09D-5iofA:
23.82
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.
5kgn 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Caenorhabditis
elegans) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ASP A 426
GLY A  38
GLY A 469
ALA A 484
GLY A  89
 MN  A 604 (-2.2A)
None
None
None
None
 0.90A 4n09D-5kgnA:
3.3		 4n09D-5kgnA:
21.92
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 LEU A 115
GLY A 197
GLY A 198
ALA A  94
PHE A 173
 None
 1.00A 4n09D-5kvaA:
4.7		 4n09D-5kvaA:
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.
5o0j ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
horikoshii) 		no annotation 5 ASP A  37
GLY A 114
GLY A 115
ALA A 204
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.79A 4n09D-5o0jA:
23.9		 4n09D-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 114
GLY A 115
ALA A 204
 GLC  A 503 (-2.7A)
None
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
 0.59A 4n09D-5o0jA:
23.9		 4n09D-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.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 5 ASP A  28
GLY A 106
GLY A 107
ALA A 201
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.61A 4n09D-5od2A:
22.2		 4n09D-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.
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)
 0.90A 4n09D-5od2A:
22.2		 4n09D-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.
5vdn GLUTATHIONE
OXIDOREDUCTASE

(Yersinia pestis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  26
GLY A  25
ALA A 327
ASN A 314
GLY A 150
 None
FAD  A 502 (-3.6A)
None
None
FAD  A 502 (-3.3A)
 0.94A 4n09D-5vdnA:
3.4		 4n09D-5vdnA:
22.59
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.
5vdn GLUTATHIONE
OXIDOREDUCTASE

(Yersinia pestis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 344
GLY A  26
ALA A 327
ASN A 314
GLY A 150
 None
None
None
None
FAD  A 502 (-3.3A)
 0.99A 4n09D-5vdnA:
3.4		 4n09D-5vdnA:
22.59
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.
5x4j UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		no annotation 5 GLY A 138
GLY A 136
ALA A  41
GLY A 164
ASP A 165
 None
ZN  A 501 ( 4.8A)
None
None
ZN  A 501 (-2.3A)
 0.96A 4n09D-5x4jA:
3.1		 4n09D-5x4jA:
12.46
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.
5xb6 UNCHARACTERIZED
PROTEIN YCJY

(Escherichia
coli) 		no annotation 5 LEU A 199
GLY A  45
GLY A  44
ALA A 202
GLY A 119
 None
 0.99A 4n09D-5xb6A:
3.8		 4n09D-5xb6A:
13.79
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.
6cw5 RIBOKINASE

(Cryptococcus
neoformans) 		no annotation 5 ASP A  16
GLY A  41
GLY A  42
ASN A  46
ASP A 273
 GOL  A 400 (-2.8A)
GOL  A 400 (-3.5A)
GOL  A 400 (-3.3A)
GOL  A 400 (-3.3A)
None
 0.35A 4n09D-6cw5A:
31.7		 4n09D-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.
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
 0.67A 4n09D-6cw5A:
31.7		 4n09D-6cw5A:
18.18