SIMILAR PATTERNS OF AMINO ACIDS FOR 4N09_C_ADNC401_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
 0.91A 4n09C-1b0kA:
undetectable		 4n09C-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) 		9 ASP A  24
LEU A  46
GLY A  68
GLY A  69
ASN A  73
CYH A 127
LEU A 142
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)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.71A 4n09C-1dgmA:
41.6		 4n09C-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) 		6 LEU A  46
GLY A  68
ASN A  73
CYH A 127
LEU A 142
GLY A 315
 None
ADN  A 375 ( 4.5A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.2A)
None
ACY  A 370 (-3.1A)
 1.29A 4n09C-1dgmA:
41.6		 4n09C-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.
1iir GLYCOSYLTRANSFERASE
GTFB

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		5 LEU A 359
GLY A 346
ALA A 362
LEU A 363
GLY A 338
 None
 0.93A 4n09C-1iirA:
6.7		 4n09C-1iirA:
23.29
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.
1lvl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  12
GLY A  13
ALA A  21
LEU A 106
GLY A 304
 FAD  A 459 (-3.2A)
FAD  A 459 ( 4.9A)
None
None
FAD  A 459 ( 3.8A)
 0.92A 4n09C-1lvlA:
3.8		 4n09C-1lvlA:
23.01
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.
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 4n09C-1rk2A:
33.6		 4n09C-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)
 0.53A 4n09C-1tz6A:
30.6		 4n09C-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
 0.99A 4n09C-1v19A:
30.7		 4n09C-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.
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
 1.12A 4n09C-1v19A:
30.7		 4n09C-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.
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 250
ASP A 251
 None
 1.48A 4n09C-1v19A:
30.7		 4n09C-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.
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 4n09C-1vgpA:
undetectable		 4n09C-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
 0.59A 4n09C-1vm7A:
31.8		 4n09C-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.
1y56 HYPOTHETICAL PROTEIN
PH1363

(Pyrococcus
horikoshii) 		PF07992
(Pyr_redox_2)
PF13510
(Fer2_4) 		5 GLY A 113
GLY A 114
ALA A 122
LEU A 169
GLY A 348
 ATP  A 801 (-3.2A)
ATP  A 801 ( 4.9A)
None
None
ATP  A 801 (-3.1A)
 0.88A 4n09C-1y56A:
3.1		 4n09C-1y56A:
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 GLY A 430
ALA A  84
LEU A 117
GLY A 376
ASP A 520
 None
 0.91A 4n09C-1z8lA:
undetectable		 4n09C-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.
1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE

(Klebsiella
aerogenes) 		PF00144
(Beta-lactamase) 		5 LEU A  97
GLY A 108
ALA A  90
LEU A 162
GLY A 146
 None
 0.94A 4n09C-1zkjA:
undetectable		 4n09C-1zkjA:
22.37
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.
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
 0.50A 4n09C-2abqA:
26.6		 4n09C-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) 		7 LEU A 171
GLY A  32
GLY A  33
ASN A  37
LEU A 139
GLY A 277
ASP A 280
 None
 1.09A 4n09C-2afbA:
30.8		 4n09C-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.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		6 LEU A 171
GLY A  33
ASN A  37
LEU A 139
GLY A 279
ASP A 280
 None
 1.43A 4n09C-2afbA:
30.8		 4n09C-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 ASP A  12
GLY A  39
GLY A  40
ASN A  44
GLY A 258
ASP A 261
 ACT  A 321 (-3.1A)
ACT  A 321 ( 4.3A)
ACT  A 321 (-3.9A)
ACT  A 321 (-3.9A)
None
None
 0.64A 4n09C-2ajrA:
25.6		 4n09C-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.
2bsx PURINE NUCLEOSIDE
PHOSPHORYLASE

(Plasmodium
falciparum) 		PF01048
(PNP_UDP_1) 		5 LEU A 234
GLY A  90
ALA A 233
LEU A  20
GLY A 103
 None
 0.95A 4n09C-2bsxA:
undetectable		 4n09C-2bsxA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.74A 4n09C-2c49A:
29.6		 4n09C-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 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)
 0.72A 4n09C-2f02A:
26.4		 4n09C-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.
2h6e D-ARABINOSE
1-DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 GLY A  64
GLY A 120
ASN A  67
ALA A   7
LEU A   8
GLY A  37
 None
 1.30A 4n09C-2h6eA:
3.7		 4n09C-2h6eA:
21.54
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) 		10 ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
CYH A 123
ALA A 136
LEU A 138
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)
89I  A 500 (-4.4A)
None
None
 0.76A 4n09C-2i6bA:
42.8		 4n09C-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 GLY A  63
ASN A  68
CYH A 123
ALA A 136
LEU A 138
GLY A 297
 None
None
None
89I  A 500 (-3.4A)
89I  A 500 (-4.4A)
None
 1.48A 4n09C-2i6bA:
42.8		 4n09C-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 GLY A  63
GLY A  64
ASN A  68
LEU A 138
PHE A 170
GLY A 297
ASP A 300
 None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
89I  A 500 (-3.8A)
None
None
 0.75A 4n09C-2i6bA:
42.8		 4n09C-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 4n09C-2i6bA:
42.8		 4n09C-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.
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
 0.86A 4n09C-2ifyA:
2.2		 4n09C-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) 		6 ASP A  12
GLY A  36
GLY A  37
ASN A  41
GLY A 246
ASP A 249
 None
 0.70A 4n09C-2jg5A:
26.0		 4n09C-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
 0.88A 4n09C-2jgvA:
25.8		 4n09C-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
 0.73A 4n09C-2jgvA:
25.8		 4n09C-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.
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)
 0.54A 4n09C-2qcvA:
31.1		 4n09C-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.
2r6r CELL DIVISION
PROTEIN FTSZ

(Aquifex
aeolicus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY 1  16
GLY 1  17
ASN 1  40
GLY 1  66
ASP 1  42
 GDP  1 339 (-3.5A)
GDP  1 339 (-3.6A)
GDP  1 339 ( 4.4A)
None
None
 0.95A 4n09C-2r6r1:
7.9		 4n09C-2r6r1:
24.62
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.
2r7m 5-FORMAMINOIMIDAZOLE
-4-CARBOXAMIDE-1-(BE
TA)-D-RIBOFURANOSYL
5'-MONOPHOSPHATE
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF06849
(DUF1246)
PF06973
(DUF1297) 		6 ASP A 316
LEU A 222
GLY A 317
GLY A 318
ASN A 258
CYH A 295
 CL  A 601 ( 3.9A)
None
AMP  A 401 ( 3.5A)
AMP  A 401 ( 4.4A)
AMP  A 401 (-3.0A)
None
 1.39A 4n09C-2r7mA:
4.7		 4n09C-2r7mA:
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 LEU A1226
GLY A1128
ALA A1225
LEU A1401
GLY A1132
 None
 0.90A 4n09C-2vz9A:
undetectable		 4n09C-2vz9A:
8.88
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.
2x0i MALATE DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 205
GLY A 193
ALA A 202
LEU A 307
GLY A 164
 None
None
None
None
NAI  A1000 ( 4.1A)
 0.92A 4n09C-2x0iA:
6.2		 4n09C-2x0iA:
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.
2ybq METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00590
(TP_methylase) 		5 ASP A  50
LEU A  41
GLY A 103
LEU A  57
GLY A 112
 UP2  A1268 (-3.6A)
None
SAH  A1267 (-4.8A)
None
None
 0.93A 4n09C-2ybqA:
undetectable		 4n09C-2ybqA:
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.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A 381
GLY A 380
ASN A 378
GLY A 486
ASP A 487
 THM  A6510 (-3.6A)
THM  A6510 (-4.1A)
THM  A6510 (-3.4A)
None
THM  A6510 (-2.4A)
 0.90A 4n09C-2z1aA:
undetectable		 4n09C-2z1aA:
21.16
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.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 5 GLY A 539
GLY A 499
ALA A 515
LEU A 526
GLY A 455
 None
 0.90A 4n09C-3a0fA:
undetectable		 4n09C-3a0fA:
17.58
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.
3cuq VACUOLAR-SORTING
PROTEIN SNF8

(Homo sapiens) 		PF04157
(EAP30) 		6 CYH A 108
LEU A 100
GLY A 159
ALA A 147
LEU A 144
GLY A 155
 None
 1.45A 4n09C-3cuqA:
undetectable		 4n09C-3cuqA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4n09C-3ewmA:
29.8		 4n09C-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)
 0.51A 4n09C-3go7A:
28.9		 4n09C-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.
3h4i GLYCOSYLTRANSFERASE
GTFA,
GLYCOSYLTRANSFERASE

(Actinoplanes
teichomyceticus;
Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		5 LEU A 342
GLY A 329
ALA A 345
LEU A 346
GLY A 321
 None
 0.81A 4n09C-3h4iA:
7.4		 4n09C-3h4iA:
23.70
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.
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
 0.81A 4n09C-3hj6A:
28.2		 4n09C-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.
3hww 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Escherichia
coli) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		5 LEU A 452
ASN A 412
ALA A 451
LEU A 455
GLY A 417
 None
None
None
None
GOL  A 577 (-3.3A)
 0.90A 4n09C-3hwwA:
undetectable		 4n09C-3hwwA:
20.63
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.
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
 0.86A 4n09C-3i3yA:
26.4		 4n09C-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
 0.74A 4n09C-3in1A:
31.1		 4n09C-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.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH

(Escherichia
coli) 		PF00294
(PfkB) 		6 LEU A 148
GLY A  42
ASN A  46
LEU A 121
GLY A 259
ASP A 260
 None
None
None
None
NA  A 411 (-3.5A)
None
 1.40A 4n09C-3in1A:
31.1		 4n09C-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
 0.91A 4n09C-3islA:
undetectable		 4n09C-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.
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
 0.38A 4n09C-3kzhA:
28.1		 4n09C-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.
3kzu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE II

(Brucella
melitensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 415
GLY A 196
GLY A 195
ALA A 357
LEU A 413
 None
 0.87A 4n09C-3kzuA:
undetectable		 4n09C-3kzuA:
23.95
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 ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
CYH A 122
ALA A 135
LEU A 137
PHE A 168
GLY A 297
ASP A 300
 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)
None
B4P  A 349 (-3.4A)
B4P  A 349 (-2.9A)
B4P  A 349 (-3.4A)
 0.52A 4n09C-3looA:
48.0		 4n09C-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)
 1.20A 4n09C-3looA:
48.0		 4n09C-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 LEU A  40
GLY A  64
ASN A  68
LEU A 137
PHE A 168
GLY A 299
ASP A 300
 None
B4P  A 349 (-3.5A)
B4P  A 349 (-3.6A)
None
B4P  A 349 (-3.4A)
B4P  A 349 (-3.3A)
B4P  A 349 (-3.4A)
 1.16A 4n09C-3looA:
48.0		 4n09C-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.
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)
 0.83A 4n09C-3noqA:
4.4		 4n09C-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) 		9 ASP A  17
LEU A  39
GLY A  62
GLY A  63
CYH A 123
ALA A 136
LEU A 138
PHE A 169
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)
None
AP5  A 346 (-3.4A)
AP5  A 346 (-3.2A)
 0.64A 4n09C-3otxA:
58.3		 4n09C-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) 		11 CYH A  12
ASP A  17
LEU A  39
GLY A  62
GLY A  63
ASN A  67
CYH A 123
ALA A 136
LEU A 138
PHE A 169
ASP A 299
 AP5  A 346 (-3.6A)
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)
None
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.20A 4n09C-3otxA:
58.3		 4n09C-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) 		8 CYH A  12
LEU A  39
GLY A  63
ASN A  67
LEU A 138
PHE A 169
GLY A 298
ASP A 299
 AP5  A 346 (-3.6A)
None
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 (-3.4A)
AP5  A 346 (-3.2A)
AP5  A 346 ( 3.2A)
 1.09A 4n09C-3otxA:
58.3		 4n09C-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
 0.59A 4n09C-3pl2A:
31.1		 4n09C-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 ASP A  12
GLY A  37
GLY A  38
CYH A  92
GLY A 248
ASP A 251
 None
 0.69A 4n09C-3q1yA:
26.4		 4n09C-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.
3r9u THIOREDOXIN
REDUCTASE

(Campylobacter
jejuni) 		PF07992
(Pyr_redox_2) 		5 GLY A  24
GLY A  23
ALA A 301
LEU A 302
GLY A  73
 None
 0.94A 4n09C-3r9uA:
4.0		 4n09C-3r9uA:
24.18
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.
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
 0.53A 4n09C-3ry7A:
29.2		 4n09C-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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		8 ASP A  15
LEU A  37
GLY A  58
GLY A  59
ASN A  63
LEU A 131
GLY A 275
ASP A 278
 ADN  A 353 (-2.8A)
None
ADN  A 353 (-3.3A)
ADN  A 353 (-3.2A)
ADN  A 353 (-3.4A)
None
ADN  A 353 (-3.7A)
ADN  A 353 (-3.3A)
 0.70A 4n09C-3uboA:
39.7		 4n09C-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
 0.78A 4n09C-3uqeA:
26.4		 4n09C-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
 0.52A 4n09C-3uqeA:
26.4		 4n09C-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) 		6 ASP A  18
ASN A  68
LEU A  40
PHE A 169
GLY A 299
ASP A 302
 ADN  A 401 (-2.7A)
ADN  A 401 (-3.7A)
None
ADN  A 401 (-3.7A)
ADN  A 401 ( 3.8A)
ADN  A 401 (-2.9A)
 1.44A 4n09C-3vasA:
47.3		 4n09C-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) 		9 ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
LEU A 138
PHE A 169
GLY A 299
ASP A 302
 ADN  A 401 (-2.7A)
None
ADN  A 401 ( 3.8A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
ADN  A 401 (-4.9A)
ADN  A 401 (-3.7A)
ADN  A 401 ( 3.8A)
ADN  A 401 (-2.9A)
 0.39A 4n09C-3vasA:
47.3		 4n09C-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 LEU A  40
ASN A  68
LEU A 138
PHE A 169
GLY A 301
ASP A 302
 None
ADN  A 401 (-3.7A)
ADN  A 401 (-4.9A)
ADN  A 401 (-3.7A)
None
ADN  A 401 (-2.9A)
 1.25A 4n09C-3vasA:
47.3		 4n09C-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.
3wcx SPHINGOMYELINASE C

(Streptomyces
griseocarneus) 		PF03372
(Exo_endo_phos) 		6 ASP A 140
LEU A 104
GLY A 141
GLY A 142
ALA A 101
LEU A  60
 None
 1.42A 4n09C-3wcxA:
undetectable		 4n09C-3wcxA:
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.
3wh9 ENDO-BETA-1,4-MANNAN
ASE

(Aspergillus
niger) 		PF00150
(Cellulase) 		5 LEU A 273
ALA A 302
LEU A 304
PHE A 161
GLY A  14
 None
 0.91A 4n09C-3wh9A:
undetectable		 4n09C-3wh9A:
22.53
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.
4ayj BOGT -
METAL-INDEPENDENT
GLYCOSYLTRANSFERASE

(Bacteroides
ovatus) 		PF03414
(Glyco_transf_6) 		5 CYH A 170
GLY A 160
LEU A  84
PHE A  77
GLY A 157
 None
 0.95A 4n09C-4ayjA:
undetectable		 4n09C-4ayjA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.91A 4n09C-4du5A:
29.5		 4n09C-4du5A:
24.04
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		8 ASP A  13
LEU A  35
GLY A  56
GLY A  57
ASN A  61
LEU A 129
GLY A 273
ASP A 276
 ADN  A 500 (-2.7A)
None
ADN  A 500 (-3.5A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.5A)
None
ADN  A 500 (-3.9A)
ADN  A 500 (-2.8A)
 0.56A 4n09C-4e3aA:
40.8		 4n09C-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 LEU A  35
GLY A  57
ASN A  61
LEU A 129
GLY A 275
ASP A 276
 None
ADN  A 500 (-3.7A)
ADN  A 500 (-3.5A)
None
None
ADN  A 500 (-2.8A)
 1.26A 4n09C-4e3aA:
40.8		 4n09C-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)
 0.93A 4n09C-4e84A:
26.9		 4n09C-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.
4eb5 PROBABLE CYSTEINE
DESULFURASE 2

(Archaeoglobus
fulgidus) 		PF00266
(Aminotran_5) 		5 LEU A 308
ASN A 290
ALA A 315
LEU A 346
GLY A 351
 None
 0.91A 4n09C-4eb5A:
undetectable		 4n09C-4eb5A:
22.89
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.
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)
 0.95A 4n09C-4gm6A:
29.2		 4n09C-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.
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)
 1.14A 4n09C-4gm6A:
29.2		 4n09C-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 4n09C-4h1sA:
undetectable		 4n09C-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.
4k3j HEPATOCYTE GROWTH
FACTOR

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU A 565
GLY A 520
GLY A 521
ALA A 546
LEU A 548
 None
 0.90A 4n09C-4k3jA:
undetectable		 4n09C-4k3jA:
17.85
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.
4oh1 L-IDITOL
2-DEHYDROGENASE

([Clostridium]
scindens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 LEU A 162
GLY A 182
GLY A 183
ALA A 161
LEU A 191
GLY A  46
 None
None
None
None
None
OCS  A  45 ( 2.4A)
 1.19A 4n09C-4oh1A:
4.9		 4n09C-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.
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)
 0.53A 4n09C-4wjmA:
29.9		 4n09C-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) 		6 CYH A 127
ASP A  11
GLY A  29
GLY A  30
ASN A  34
ASP A 249
 None
None
None
None
None
ANP  A 401 ( 4.3A)
 1.32A 4n09C-4wjmA:
29.9		 4n09C-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) 		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)
 0.95A 4n09C-4wjmA:
29.9		 4n09C-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
 0.56A 4n09C-4x8fA:
29.6		 4n09C-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.
4yji ARYL ACYLAMIDASE

(bacterium
CSBL00001) 		PF01425
(Amidase) 		5 ASP A 183
GLY A 184
GLY A 185
LEU A 435
GLY A 162
 TYL  A 502 ( 4.8A)
TYL  A 502 (-3.4A)
TYL  A 502 (-3.6A)
None
None
 0.94A 4n09C-4yjiA:
undetectable		 4n09C-4yjiA:
23.01
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.
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 GLY A1359
ASN A1370
ALA A1400
LEU A1429
GLY A 376
 None
 0.83A 4n09C-4yknA:
undetectable		 4n09C-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.
4ypw TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Haemophilus
influenzae) 		PF01746
(tRNA_m1G_MT) 		5 ASP A  95
LEU A  87
GLY A  97
GLY A  98
LEU A 148
 None
 0.89A 4n09C-4ypwA:
undetectable		 4n09C-4ypwA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5awp ISOMALTODEXTRANASE

(Arthrobacter
globiformis) 		no annotation 5 LEU A 582
GLY A 303
ASN A 302
ALA A 515
LEU A 584
 None
 0.93A 4n09C-5awpA:
undetectable		 4n09C-5awpA:
20.48
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.
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
 1.48A 4n09C-5az4A:
undetectable		 4n09C-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.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 5 LEU A 353
GLY A 265
LEU A 349
GLY A 181
ASP A 182
 None
 0.89A 4n09C-5b7iA:
2.9		 4n09C-5b7iA:
14.75
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.
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 4n09C-5c41A:
32.3		 4n09C-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.
5e0n ENOYL-COA
HYDRATASE/ISOMERASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		5 LEU X  39
GLY X 119
GLY X 121
LEU X  22
GLY X 154
 None
 0.94A 4n09C-5e0nX:
undetectable		 4n09C-5e0nX:
20.79
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.
5e6s INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		6 LEU A 410
GLY A 437
GLY A 436
ALA A 396
LEU A 453
GLY A 377
 None
 1.15A 4n09C-5e6sA:
undetectable		 4n09C-5e6sA:
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.
5ey7 FRUCTOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 ASP A  30
GLY A  44
GLY A  45
ASN A  49
ASP A 266
 None
 0.44A 4n09C-5ey7A:
31.2		 4n09C-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
 0.80A 4n09C-5ey7A:
31.2		 4n09C-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
 0.85A 4n09C-5h7wA:
undetectable		 4n09C-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
 0.90A 4n09C-5h8yA:
undetectable		 4n09C-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.
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
 0.92A 4n09C-5kgnA:
4.9		 4n09C-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.
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
 0.60A 4n09C-5o0jA:
24.2		 4n09C-5o0jA:
13.51