SIMILAR PATTERNS OF AMINO ACIDS FOR 4N09_B_ADNB401_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
 0.92A 4n09B-1b0kA:
undetectable		 4n09B-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)
 0.47A 4n09B-1dgmA:
41.5		 4n09B-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)
 0.62A 4n09B-1dgmA:
41.5		 4n09B-1dgmA:
34.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1geu GLUTATHIONE
REDUCTASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 334
GLY A  16
GLY A  15
ALA A 317
GLY A 140
 None
None
FAD  A 451 (-3.5A)
None
FAD  A 451 (-3.5A)
 1.01A 4n09B-1geuA:
4.8		 4n09B-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)
 0.33A 4n09B-1rk2A:
33.4		 4n09B-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 4n09B-1tz6A:
30.5		 4n09B-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 4n09B-1v19A:
30.7		 4n09B-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
 0.93A 4n09B-1vgpA:
undetectable		 4n09B-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 4n09B-1vm7A:
31.9		 4n09B-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
 1.15A 4n09B-2abqA:
26.7		 4n09B-2abqA:
24.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 LEU A 171
GLY A  32
GLY A  33
ASN A  37
ASP A 280
 None
 0.88A 4n09B-2afbA:
30.7		 4n09B-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
 1.03A 4n09B-2ajrA:
25.5		 4n09B-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)
 0.74A 4n09B-2c49A:
29.5		 4n09B-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 4n09B-2f02A:
26.4		 4n09B-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.
2go4 UDP-3-O-[3-HYDROXYMY
RISTOYL]
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Aquifex
aeolicus) 		PF03331
(LpxC) 		5 LEU A 206
GLY A 264
ASN A 268
GLY A 245
ASP A 246
 None
 1.01A 4n09B-2go4A:
undetectable		 4n09B-2go4A:
21.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		9 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
CYH A 123
ALA A 136
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
89I  A 500 (-3.4A)
None
None
 0.77A 4n09B-2i6bA:
42.8		 4n09B-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
 0.58A 4n09B-2i6bA:
42.8		 4n09B-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
 0.70A 4n09B-2i6bA:
42.8		 4n09B-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
 1.34A 4n09B-2i6bA:
42.8		 4n09B-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.
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
 1.02A 4n09B-2ibuA:
undetectable		 4n09B-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 4n09B-2ifyA:
4.3		 4n09B-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
 1.18A 4n09B-2jg5A:
26.0		 4n09B-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
 0.87A 4n09B-2jgvA:
25.8		 4n09B-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
 0.72A 4n09B-2jgvA:
25.8		 4n09B-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 4n09B-2nwhA:
26.4		 4n09B-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.
2opv KHSRP PROTEIN

(Homo sapiens) 		PF00013
(KH_1) 		5 GLY A  14
GLY A  13
ASN A  12
GLY A  71
ASP A  72
 None
 0.98A 4n09B-2opvA:
undetectable		 4n09B-2opvA:
13.16
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.
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)
 0.55A 4n09B-2qcvA:
31.2		 4n09B-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
 0.96A 4n09B-2r6r1:
8.6		 4n09B-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.
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)
 0.89A 4n09B-2z1aA:
undetectable		 4n09B-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.
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)
 0.98A 4n09B-2z8zA:
undetectable		 4n09B-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.
3bdk D-MANNONATE
DEHYDRATASE

(Streptococcus
suis) 		PF03786
(UxuA) 		5 ASP A 308
LEU A 150
GLY A 307
ASN A 289
GLY A 259
 None
 1.02A 4n09B-3bdkA:
undetectable		 4n09B-3bdkA:
23.75
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.
3czm L-LACTATE
DEHYDROGENASE

(Toxoplasma
gondii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASP A 143
GLY A 288
GLY A 193
ASN A 165
ASP A 168
 None
 1.00A 4n09B-3czmA:
5.9		 4n09B-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.
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF01266
(DAO) 		5 CYH A 198
LEU A 367
GLY A 182
GLY A 183
GLY A 218
 None
 0.95A 4n09B-3dmeA:
2.8		 4n09B-3dmeA:
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.
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
 1.02A 4n09B-3ewmA:
29.8		 4n09B-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)
 0.52A 4n09B-3go7A:
28.7		 4n09B-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 4n09B-3hj6A:
28.2		 4n09B-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 4n09B-3i3yA:
26.3		 4n09B-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 4n09B-3in1A:
31.2		 4n09B-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
 0.92A 4n09B-3islA:
undetectable		 4n09B-3islA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ive NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A 373
GLY A 372
ASN A 370
ALA A 217
GLY A 471
 CTN  A 603 (-3.3A)
CTN  A 603 (-3.2A)
CTN  A 603 (-3.2A)
SO4  A 604 (-3.7A)
None
 1.02A 4n09B-3iveA:
undetectable		 4n09B-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.
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 4n09B-3iveA:
undetectable		 4n09B-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
 0.97A 4n09B-3jtyA:
undetectable		 4n09B-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
 0.95A 4n09B-3kfuE:
undetectable		 4n09B-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
 0.38A 4n09B-3kzhA:
28.3		 4n09B-3kzhA:
24.40
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)
 0.54A 4n09B-3looA:
48.0		 4n09B-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)
 1.14A 4n09B-3looA:
48.0		 4n09B-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)
 1.21A 4n09B-3looA:
48.0		 4n09B-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.
3mkt MULTI ANTIMICROBIAL
EXTRUSION PROTEIN
(NA(+)/DRUG
ANTIPORTER)
MATE-LIKE MDR EFFLUX
PUMP

(Vibrio cholerae) 		PF01554
(MatE) 		5 GLY A 421
GLY A 424
ALA A 276
PHE A 363
GLY A 406
 None
 1.00A 4n09B-3mktA:
undetectable		 4n09B-3mktA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.98A 4n09B-3ngmA:
undetectable		 4n09B-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)
 0.86A 4n09B-3noqA:
4.7		 4n09B-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) 		8 ASP A  17
LEU A  39
GLY A  62
GLY A  63
CYH A 123
ALA A 136
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)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.2A)
 0.64A 4n09B-3otxA:
58.2		 4n09B-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
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 (-3.6A)
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)
 0.19A 4n09B-3otxA:
58.2		 4n09B-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
ASN A  13
LEU A  39
GLY A  63
ASN A  67
PHE A 169
GLY A 298
ASP A 299
 AP5  A 346 (-3.6A)
AP5  A 346 (-4.1A)
None
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.2A)
AP5  A 346 ( 3.2A)
 1.06A 4n09B-3otxA:
58.2		 4n09B-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 4n09B-3pl2A:
31.0		 4n09B-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
 0.97A 4n09B-3q1yA:
26.4		 4n09B-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
 0.50A 4n09B-3ry7A:
29.2		 4n09B-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
 0.96A 4n09B-3shwA:
undetectable		 4n09B-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 4n09B-3tswA:
undetectable		 4n09B-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)
 0.64A 4n09B-3uboA:
39.3		 4n09B-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 4n09B-3uqeA:
26.6		 4n09B-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
 0.50A 4n09B-3uqeA:
26.6		 4n09B-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) 		9 ASN A  14
ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
PHE A 169
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 ( 3.8A)
ADN  A 401 (-2.9A)
 0.43A 4n09B-3vasA:
47.2		 4n09B-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 ASN A  14
LEU A  40
ASN A  68
PHE A 169
GLY A 301
ASP A 302
 ADN  A 401 ( 4.0A)
None
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
None
ADN  A 401 (-2.9A)
 1.23A 4n09B-3vasA:
47.2		 4n09B-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.
3vth HYDROGENASE
MATURATION FACTOR

(Caldanaerobacter
subterraneus) 		PF00708
(Acylphosphatase)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		5 LEU A 474
GLY A 407
GLY A 406
ALA A 471
GLY A 740
 None
 1.01A 4n09B-3vthA:
undetectable		 4n09B-3vthA:
17.44
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.
3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1

(Homo sapiens) 		PF00753
(Lactamase_B)
PF12706
(Lactamase_B_2) 		5 CYH A 254
LEU A 309
GLY A 188
CYH A 249
GLY A 261
 None
 1.01A 4n09B-3zwfA:
undetectable		 4n09B-3zwfA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 LEU A 707
GLY A 873
GLY A 872
ASN A 913
ALA A 706
 None
None
NA  A2337 (-4.0A)
None
None
 1.01A 4n09B-3zyvA:
undetectable		 4n09B-3zyvA:
14.56
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.
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
 0.90A 4n09B-4du5A:
29.7		 4n09B-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 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 4n09B-4e3aA:
40.6		 4n09B-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)
 1.23A 4n09B-4e3aA:
40.6		 4n09B-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 4n09B-4e84A:
26.9		 4n09B-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
 0.98A 4n09B-4emdA:
undetectable		 4n09B-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.
4fms PROBABLE PORIN

(Pseudomonas
aeruginosa) 		no annotation 5 ASP B 292
GLY B 287
PHE B 172
GLY B 128
ASP B 126
 BDP  B 401 (-2.9A)
None
None
BDP  B 401 ( 4.4A)
BDP  B 401 (-2.8A)
 1.02A 4n09B-4fmsB:
undetectable		 4n09B-4fmsB:
22.46
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.
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)
 0.96A 4n09B-4gm6A:
29.2		 4n09B-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
 0.82A 4n09B-4h1sA:
undetectable		 4n09B-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.
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)
 0.96A 4n09B-4oh1A:
5.6		 4n09B-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)
 0.98A 4n09B-4oonA:
undetectable		 4n09B-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.
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 4n09B-4wjmA:
30.0		 4n09B-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 4n09B-4wjmA:
30.0		 4n09B-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)
 1.00A 4n09B-4wjmA:
30.0		 4n09B-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)
 0.92A 4n09B-4wjmA:
30.0		 4n09B-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
 0.54A 4n09B-4x8fA:
29.7		 4n09B-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.
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 4n09B-5az4A:
undetectable		 4n09B-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)
 0.54A 4n09B-5c41A:
32.5		 4n09B-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
 1.00A 4n09B-5da0A:
undetectable		 4n09B-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
 0.44A 4n09B-5ey7A:
31.1		 4n09B-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 4n09B-5h7wA:
undetectable		 4n09B-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 4n09B-5h8yA:
undetectable		 4n09B-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
 1.00A 4n09B-5iofA:
undetectable		 4n09B-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.
5jwr CIRCADIAN CLOCK
PROTEIN KINASE KAIC

(Thermosynechococcus
elongatus) 		PF06745
(ATPase) 		5 ASN A 245
LEU A  55
GLY A  28
GLY A  36
ASP A  30
 None
 1.02A 4n09B-5jwrA:
4.6		 4n09B-5jwrA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.89A 4n09B-5kgnA:
3.5		 4n09B-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
 1.02A 4n09B-5kvaA:
4.7		 4n09B-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 4n09B-5o0jA:
22.7		 4n09B-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 4n09B-5o0jA:
22.7		 4n09B-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 4n09B-5od2A:
22.4		 4n09B-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)
 0.89A 4n09B-5od2A:
22.4		 4n09B-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.
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)
 0.97A 4n09B-5x4jA:
3.5		 4n09B-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
 1.01A 4n09B-5xb6A:
3.6		 4n09B-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
 0.33A 4n09B-6cw5A:
31.7		 4n09B-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 4n09B-6cw5A:
31.7		 4n09B-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.
6f2t -

(-) 		no annotation 5 LEU A 345
GLY A 333
GLY A 329
ALA A 342
GLY A 375
 None
 1.00A 4n09B-6f2tA:
undetectable		 4n09B-6f2tA:
undetectable