SIMILAR PATTERNS OF AMINO ACIDS FOR 4LBX_B_ADNB401

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.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii) 		PF00294
(PfkB) 		8 ASN A  20
ILE A  22
ASP A  24
GLY A  68
GLY A  69
ASN A  73
LEU A 142
ASP A 318
 ADN  A 375 ( 3.8A)
ADN  A 375 ( 4.3A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
None
ADN  A 375 ( 3.1A)
 0.83A 4lbxB-1dgmA:
36.1		 4lbxB-1dgmA:
27.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii) 		PF00294
(PfkB) 		8 ILE A  22
ASP A  24
GLY A  68
GLY A  69
ASN A  73
THR A 140
LEU A 142
ASP A 318
 ADN  A 375 ( 4.3A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.9A)
None
ADN  A 375 ( 3.1A)
 0.64A 4lbxB-1dgmA:
36.1		 4lbxB-1dgmA:
27.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e1k ADRENODOXIN
REDUCTASE

(Bos taurus) 		PF07992
(Pyr_redox_2) 		5 ASP A 382
ASN A 351
SER A 383
THR A  21
LEU A  25
 None
 1.10A 4lbxB-1e1kA:
4.6		 4lbxB-1e1kA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 GLY A 277
THR A 281
LEU A 348
THR A 258
ASP A 180
 None
 1.06A 4lbxB-1h17A:
undetectable		 4lbxB-1h17A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qhm PYRUVATE
FORMATE-LYASE

(Escherichia
coli) 		PF02901
(PFL-like) 		5 GLY A1277
THR A1281
LEU A1348
THR A1258
ASP A1180
 None
 1.02A 4lbxB-1qhmA:
undetectable		 4lbxB-1qhmA:
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.
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)
 0.29A 4lbxB-1rk2A:
35.6		 4lbxB-1rk2A:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		5 GLY A  41
GLY A  42
ASN A  46
GLU A 143
ASP A 255
 RIB  A 311 (-3.3A)
RIB  A 311 (-3.4A)
RIB  A 311 (-3.3A)
RIB  A 311 (-2.5A)
RIB  A 311 (-3.1A)
 0.80A 4lbxB-1rk2A:
35.6		 4lbxB-1rk2A:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 ASP A 138
GLY A 139
GLY A 246
SER A 136
THR A 134
 None
None
None
None
SO4  A 373 (-3.1A)
 0.93A 4lbxB-1to6A:
undetectable		 4lbxB-1to6A:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tz6 PUTATIVE SUGAR
KINASE

(Salmonella
enterica) 		PF00294
(PfkB) 		6 ASP A  16
GLY A  30
GLY A  31
ASN A  35
THR A 248
ASP A 252
 AIS  A 402 (-2.5A)
AIS  A 402 ( 4.2A)
AIS  A 402 (-3.8A)
AIS  A 402 (-3.9A)
None
AIS  A 402 (-3.0A)
 0.41A 4lbxB-1tz6A:
35.2		 4lbxB-1tz6A:
27.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		6 GLY A  33
GLY A  34
ASN A  38
LEU A 138
GLU A  36
ASP A 251
 None
 1.08A 4lbxB-1v19A:
36.1		 4lbxB-1v19A:
25.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4lbxB-1vm7A:
30.7		 4lbxB-1vm7A:
26.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		6 GLY A  39
GLY A  40
ASN A  44
GLU A 137
THR A 242
ASP A 246
 None
 0.94A 4lbxB-1vm7A:
30.7		 4lbxB-1vm7A:
26.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wye 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Sulfurisphaera
tokodaii) 		PF00294
(PfkB) 		5 GLY A  34
ASN A  38
GLU A  36
THR A 252
ASP A 256
 None
 0.91A 4lbxB-1wyeA:
37.3		 4lbxB-1wyeA:
23.51
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.
1yv9 HYDROLASE, HALOACID
DEHALOGENASE FAMILY

(Enterococcus
faecalis) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 ASN A 152
ILE A 153
ASN A 148
LEU A 159
THR A  44
 None
None
None
None
PO4  A3001 (-4.2A)
 1.08A 4lbxB-1yv9A:
undetectable		 4lbxB-1yv9A:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a9f PUTATIVE MALIC
ENZYME
((S)-MALATE:NAD+
OXIDOREDUCTASE
(DECARBOXYLATING))

(Streptococcus
pyogenes) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ASN A 320
ILE A 319
GLY A 311
THR A 364
LEU A 323
 None
 1.02A 4lbxB-2a9fA:
undetectable		 4lbxB-2a9fA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2abq FRUCTOSE 1-PHOSPHATE
KINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		5 ASN A   8
ASP A  12
GLY A  36
GLY A  37
ASN A  41
 None
 1.02A 4lbxB-2abqA:
26.9		 4lbxB-2abqA:
23.42
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.
2abq FRUCTOSE 1-PHOSPHATE
KINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  36
GLY A  37
ASN A  41
ASP A 249
 None
 0.39A 4lbxB-2abqA:
26.9		 4lbxB-2abqA:
23.42
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.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		6 GLY A  32
GLY A  33
ASN A  37
LEU A 139
GLU A  35
ASP A 280
 None
 1.01A 4lbxB-2afbA:
33.1		 4lbxB-2afbA:
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.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		6 ASN A   8
ASP A  12
GLY A  39
GLY A  40
ASN A  44
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
 0.88A 4lbxB-2ajrA:
25.8		 4lbxB-2ajrA:
24.53
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.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		6 ASP A  17
GLY A  42
GLY A  43
ASN A  47
THR A 243
ASP A 247
 ADN  A1301 (-2.8A)
ADN  A1301 (-3.4A)
ADN  A1301 (-3.3A)
ADN  A1301 (-3.4A)
ANP  A1304 (-4.3A)
ADN  A1301 (-2.9A)
 0.37A 4lbxB-2c49A:
33.4		 4lbxB-2c49A:
25.48
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.
2cff 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)
METHYLIDENEAMINO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Thermotoga
maritima) 		PF00977
(His_biosynth) 		6 ILE A 197
GLY A 195
GLY A 196
LEU A 231
GLU A 174
THR A 180
 None
 1.15A 4lbxB-2cffA:
undetectable		 4lbxB-2cffA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d4w GLYCEROL KINASE

(Cellulomonas
sp.) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		6 GLY A 245
ASN A  80
THR A 290
LEU A 288
GLU A  83
THR A 183
 None
None
None
None
MPD  A   1 (-2.7A)
None
 1.46A 4lbxB-2d4wA:
undetectable		 4lbxB-2d4wA:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dpn GLYCEROL KINASE

(Thermus
thermophilus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		6 GLY A 241
ASN A  79
THR A 286
LEU A 284
GLU A  82
THR A 179
 None
 1.43A 4lbxB-2dpnA:
undetectable		 4lbxB-2dpnA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		6 ASN A   8
ASP A  12
GLY A  36
GLY A  37
ASN A  41
ASP A 255
 None
None
None
None
None
ATP  A 411 (-4.1A)
 1.15A 4lbxB-2f02A:
26.4		 4lbxB-2f02A:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  36
GLY A  37
ASN A  41
SER A  90
ASP A 255
 None
None
None
None
None
ATP  A 411 (-4.1A)
 0.99A 4lbxB-2f02A:
26.4		 4lbxB-2f02A:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  36
GLY A  37
THR A 291
ASP A 255
 None
None
None
None
ATP  A 411 (-4.1A)
 1.02A 4lbxB-2f02A:
26.4		 4lbxB-2f02A:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f5v PYRANOSE 2-OXIDASE

(Peniophora sp.
SG) 		PF05199
(GMC_oxred_C) 		5 ILE A  57
GLY A 581
GLY A 582
ASN A 585
THR A  60
 FAD  A1625 (-4.0A)
None
FAD  A1625 ( 3.9A)
None
None
 0.96A 4lbxB-2f5vA:
2.8		 4lbxB-2f5vA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		7 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.81A 4lbxB-2i6bA:
33.1		 4lbxB-2i6bA:
28.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jg5 FRUCTOSE 1-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  36
GLY A  37
ASN A  41
ASP A 249
 None
 0.66A 4lbxB-2jg5A:
26.1		 4lbxB-2jg5A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2k8o INTEGRIN ALPHA-L

(Homo sapiens) 		PF00357
(Integrin_alpha) 		5 ILE A  14
ASP A  59
GLY A  56
GLY A  19
LEU A  10
 None
 1.03A 4lbxB-2k8oA:
undetectable		 4lbxB-2k8oA:
11.53
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.
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
 0.92A 4lbxB-2nwhA:
26.6		 4lbxB-2nwhA:
26.17
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.
2qcv PUTATIVE
5-DEHYDRO-2-DEOXYGLU
CONOKINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		5 ASP A  22
GLY A  43
GLY A  44
ASN A  48
ASP A 272
 None
None
None
None
PGE  A 332 (-3.6A)
 0.35A 4lbxB-2qcvA:
35.7		 4lbxB-2qcvA:
25.14
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.
2qcv PUTATIVE
5-DEHYDRO-2-DEOXYGLU
CONOKINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		5 GLY A  43
GLY A  44
ASN A  48
LEU A 123
ASP A 272
 None
None
None
None
PGE  A 332 (-3.6A)
 0.88A 4lbxB-2qcvA:
35.7		 4lbxB-2qcvA:
25.14
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.
2r8a LONG-CHAIN FATTY
ACID TRANSPORT
PROTEIN

(Escherichia
coli) 		PF03349
(Toluene_X) 		5 GLY A 119
GLY A 118
LEU A  68
GLU A 399
THR A 197
 None
 1.02A 4lbxB-2r8aA:
undetectable		 4lbxB-2r8aA:
21.33
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.
2v7y CHAPERONE PROTEIN
DNAK

(Geobacillus
kaustophilus) 		PF00012
(HSP70) 		5 ASN A 194
GLY A 170
GLY A 171
SER A  66
ASP A 200
 None
ADP  A1505 (-3.5A)
None
None
None
 1.03A 4lbxB-2v7yA:
undetectable		 4lbxB-2v7yA:
22.16
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.
2var FRUCTOKINASE

(Sulfolobus
solfataricus) 		PF00294
(PfkB) 		5 GLY A  34
ASN A  38
GLU A  36
THR A 254
ASP A 258
 KDG  A1313 ( 3.3A)
KDF  A1314 ( 4.2A)
None
ANP  A1315 ( 4.6A)
KDF  A1314 (-2.8A)
 0.71A 4lbxB-2varA:
37.0		 4lbxB-2varA:
25.26
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.
2xsg CCMAN5

(Cellulosimicrobium
cellulans) 		PF07971
(Glyco_hydro_92) 		5 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.04A 4lbxB-2xsgA:
undetectable		 4lbxB-2xsgA:
18.53
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.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 249
ASP A 253
 AMP  A 501 (-2.9A)
AMP  A 501 ( 3.7A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.3A)
None
AMP  A 501 (-2.8A)
 0.54A 4lbxB-3b1rA:
31.7		 4lbxB-3b1rA:
26.63
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.
3b3l KETOHEXOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 GLY A  40
GLY A  41
ASN A  45
GLU A 139
ASP A 258
 None
 0.43A 4lbxB-3b3lA:
27.9		 4lbxB-3b3lA:
24.30
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.
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 4lbxB-3czmA:
6.2		 4lbxB-3czmA:
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.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		5 ASP A  13
GLY A  33
GLY A  34
ASN A  38
ASP A 247
 None
 0.38A 4lbxB-3ewmA:
33.5		 4lbxB-3ewmA:
25.39
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.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		6 GLY A  33
GLY A  34
ASN A  38
LEU A 103
THR A 243
ASP A 247
 None
 1.11A 4lbxB-3ewmA:
33.5		 4lbxB-3ewmA:
25.39
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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 ASP A  25
GLY A  50
GLY A  51
ASN A  55
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 (-2.9A)
 0.34A 4lbxB-3go7A:
31.8		 4lbxB-3go7A:
26.95
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.
3gx8 MONOTHIOL
GLUTAREDOXIN-5,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00462
(Glutaredoxin) 		5 ILE A 120
GLY A 115
THR A  66
LEU A  70
THR A 103
 None
 0.96A 4lbxB-3gx8A:
undetectable		 4lbxB-3gx8A:
19.47
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.
3hbz PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13201
(PCMD) 		5 ILE A 203
GLY A 204
GLY A 222
LEU A 355
THR A  43
 None
 0.87A 4lbxB-3hbzA:
undetectable		 4lbxB-3hbzA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		5 ASP A  33
GLY A  54
GLY A  55
ASN A  59
ASP A 275
 None
 0.43A 4lbxB-3hj6A:
29.0		 4lbxB-3hj6A:
27.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		6 ASN A 138
GLY A  37
GLY A  38
ASN A  42
THR A 228
ASP A 232
 None
 1.16A 4lbxB-3i3yA:
27.1		 4lbxB-3i3yA:
24.53
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  37
GLY A  38
ASN A  42
THR A 107
THR A 228
 None
 0.78A 4lbxB-3i3yA:
27.1		 4lbxB-3i3yA:
24.53
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  37
GLY A  38
ASN A  42
THR A 228
ASP A 232
 None
 0.78A 4lbxB-3i3yA:
27.1		 4lbxB-3i3yA:
24.53
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.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH

(Escherichia
coli) 		PF00294
(PfkB) 		6 ILE A  13
ASP A  15
GLY A  41
GLY A  42
ASN A  46
ASP A 260
 None
 0.81A 4lbxB-3in1A:
32.1		 4lbxB-3in1A:
27.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iv6 PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		no annotation 5 ILE A  14
GLY A  15
ASN A  16
THR A 200
LEU A 201
 None
 1.06A 4lbxB-3iv6A:
3.4		 4lbxB-3iv6A:
22.63
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.
3kd6 CARBOHYDRATE KINASE,
PFKB FAMILY

(Chlorobaculum
tepidum) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  26
GLY A  27
THR A 233
ASP A 237
 AMP  A 509 (-2.8A)
AMP  A 509 ( 3.8A)
AMP  A 509 (-3.4A)
AMP  A 509 ( 4.8A)
AMP  A 509 ( 3.3A)
 0.99A 4lbxB-3kd6A:
29.5		 4lbxB-3kd6A:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kd6 CARBOHYDRATE KINASE,
PFKB FAMILY

(Chlorobaculum
tepidum) 		PF00294
(PfkB) 		5 ASP A  12
THR A  99
LEU A 101
THR A 233
ASP A 237
 AMP  A 509 (-2.8A)
AMP  A 509 ( 4.4A)
None
AMP  A 509 ( 4.8A)
AMP  A 509 ( 3.3A)
 1.06A 4lbxB-3kd6A:
29.5		 4lbxB-3kd6A:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kzh PROBABLE SUGAR
KINASE

(Clostridium
perfringens) 		PF00294
(PfkB) 		5 GLY A  42
GLY A  43
ASN A  47
THR A 253
ASP A 257
 None
 0.56A 4lbxB-3kzhA:
28.8		 4lbxB-3kzhA:
24.87
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.
3lhx KETODEOXYGLUCONOKINA
SE

(Shigella
flexneri) 		PF00294
(PfkB) 		5 GLY A 100
GLY A 101
ASN A 105
THR A 333
ASP A 337
 None
 0.53A 4lbxB-3lhxA:
30.4		 4lbxB-3lhxA:
24.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lki FRUCTOKINASE

(Xylella
fastidiosa) 		PF00294
(PfkB) 		5 ASN A 146
ASP A  24
GLY A  44
GLY A  45
ASN A  49
 None
 0.92A 4lbxB-3lkiA:
25.8		 4lbxB-3lkiA:
25.13
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
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 137
ASP A 300
 B4P  A 349 ( 4.0A)
B4P  A 349 (-2.8A)
B4P  A 349 ( 3.8A)
B4P  A 349 (-3.5A)
B4P  A 349 (-3.6A)
None
B4P  A 349 (-3.4A)
 0.41A 4lbxB-3looA:
39.6		 4lbxB-3looA:
30.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n54 SPORE GERMINATION
PROTEIN B3

(Bacillus
subtilis) 		PF05504
(Spore_GerAC) 		5 ILE B 253
GLY B 237
GLY B 238
SER B 256
THR B 277
 None
 0.98A 4lbxB-3n54B:
undetectable		 4lbxB-3n54B:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3of7 REGULATOR OF
CHROMOSOME
CONDENSATION

(Saccharomyces
cerevisiae) 		PF00415
(RCC1)
PF13540
(RCC1_2) 		5 ASN A 450
ILE A 452
GLY A 464
GLY A 465
SER A  42
 None
 0.94A 4lbxB-3of7A:
undetectable		 4lbxB-3of7A:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3orf DIHYDROPTERIDINE
REDUCTASE

(Dictyostelium
discoideum) 		PF00106
(adh_short) 		5 GLY A  76
GLY A  77
ASN A  99
THR A 175
THR A 123
 NAD  A 901 (-3.6A)
NAD  A 901 (-4.3A)
NAD  A 901 (-4.0A)
NAD  A 901 (-3.2A)
NAD  A 901 ( 4.1A)
 1.09A 4lbxB-3orfA:
5.9		 4lbxB-3orfA:
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.
3otx ADENOSINE KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00294
(PfkB) 		7 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.45A 4lbxB-3otxA:
39.6		 4lbxB-3otxA:
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.
3pkj NAD-DEPENDENT
DEACETYLASE
SIRTUIN-6

(Homo sapiens) 		PF02146
(SIR2) 		5 ILE A  53
GLY A 212
GLY A  52
THR A  90
LEU A 116
 None
A2N  A1000 (-3.5A)
A2N  A1000 (-3.3A)
None
None
 1.05A 4lbxB-3pkjA:
4.7		 4lbxB-3pkjA:
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.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		5 ASP A  19
GLY A  40
GLY A  41
ASN A  45
ASP A 264
 None
 0.31A 4lbxB-3pl2A:
35.2		 4lbxB-3pl2A:
24.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		5 ASN A   8
ASP A  12
GLY A  37
GLY A  38
ASP A 251
 None
 0.99A 4lbxB-3q1yA:
27.3		 4lbxB-3q1yA:
25.85
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.
3qg5 RAD50

(Thermotoga
maritima) 		PF13476
(AAA_23)
PF13558
(SbcCD_C) 		5 GLY A 751
GLY A 752
SER A 151
LEU A 779
ASP A 748
 None
 1.05A 4lbxB-3qg5A:
undetectable		 4lbxB-3qg5A:
22.69
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.
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 4lbxB-3ry7A:
28.3		 4lbxB-3ry7A:
25.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ry7 RIBOKINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 GLY A  40
GLY A  41
ASN A  45
GLU A 142
ASP A 254
 GOL  A 401 ( 3.7A)
GOL  A 401 (-3.8A)
GOL  A 401 (-3.9A)
GOL  A 401 (-2.8A)
None
 0.98A 4lbxB-3ry7A:
28.3		 4lbxB-3ry7A:
25.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u0f BETA-KETOACYL
SYNTHASE

(Brucella
abortus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ASN A  75
GLY A  71
THR A 143
LEU A 144
THR A 111
 None
CL  A 408 (-3.4A)
None
None
None
 1.10A 4lbxB-3u0fA:
undetectable		 4lbxB-3u0fA:
22.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		12 ASN A  11
ILE A  13
ASP A  15
GLY A  58
GLY A  59
ASN A  63
SER A 115
THR A 129
LEU A 131
GLU A 156
THR A 274
ASP A 278
 ADN  A 353 (-3.7A)
ADN  A 353 (-3.7A)
ADN  A 353 (-2.8A)
ADN  A 353 (-3.3A)
ADN  A 353 (-3.2A)
ADN  A 353 (-3.4A)
ADN  A 353 ( 4.0A)
ADN  A 353 (-3.3A)
None
ADN  A 353 (-3.2A)
ADN  A 353 ( 4.8A)
ADN  A 353 (-3.3A)
 0.22A 4lbxB-3uboA:
56.9		 4lbxB-3uboA:
71.88
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.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		8 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
THR A 136
LEU A 138
ASP A 302
 ADN  A 401 ( 4.0A)
ADN  A 401 (-2.7A)
ADN  A 401 ( 3.8A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.1A)
ADN  A 401 (-4.9A)
ADN  A 401 (-2.9A)
 0.42A 4lbxB-3vasA:
40.5		 4lbxB-3vasA:
28.75
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.
3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6

(Homo sapiens) 		PF02146
(SIR2) 		5 ILE A  53
GLY A 212
GLY A  52
THR A  90
LEU A 116
 None
APR  A1296 (-3.6A)
APR  A1296 (-3.3A)
None
None
 1.10A 4lbxB-3zg6A:
4.9		 4lbxB-3zg6A:
22.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		12 ASN A   9
ILE A  11
ASP A  13
GLY A  56
GLY A  57
ASN A  61
SER A 113
THR A 127
LEU A 129
GLU A 154
THR A 272
ASP A 276
 ADN  A 500 (-3.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 (-3.5A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.5A)
ADN  A 500 ( 3.8A)
ADN  A 500 (-3.0A)
None
ADN  A 500 (-3.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-2.8A)
 0.10A 4lbxB-4e3aA:
62.5		 4lbxB-4e3aA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		7 ASP A  13
ASN A  61
SER A 113
THR A 127
LEU A  35
THR A 272
ASP A 276
 ADN  A 500 (-2.7A)
ADN  A 500 (-3.5A)
ADN  A 500 ( 3.8A)
ADN  A 500 (-3.0A)
None
ADN  A 500 (-4.6A)
ADN  A 500 (-2.8A)
 1.46A 4lbxB-4e3aA:
62.5		 4lbxB-4e3aA:
100.00
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.
4eb5 PROBABLE CYSTEINE
DESULFURASE 2

(Archaeoglobus
fulgidus) 		PF00266
(Aminotran_5) 		5 ASN A 281
ILE A 151
GLY A 152
LEU A 337
THR A   7
 None
 0.99A 4lbxB-4eb5A:
3.0		 4lbxB-4eb5A:
24.01
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.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		6 GLY A  33
GLY A  34
ASN A  38
LEU A 140
GLU A  36
ASP A 270
 GOL  A 401 ( 4.1A)
GOL  A 401 (-3.7A)
GOL  A 401 (-4.4A)
None
None
GOL  A 401 (-3.0A)
 1.01A 4lbxB-4gm6A:
31.1		 4lbxB-4gm6A:
28.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hxe PUTATIVE
UNCHARACTERIZED
PROTEIN PH0594

(Pyrococcus
horikoshii) 		PF00326
(Peptidase_S9)
PF07676
(PD40) 		5 ASN B 521
ILE B 512
GLY B 513
THR B 433
LEU B 525
 None
 1.09A 4lbxB-4hxeB:
2.2		 4lbxB-4hxeB:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l4q S-ADENOSYLMETHIONINE
SYNTHASE

(Thermococcus
kodakarensis) 		PF01941
(AdoMet_Synthase) 		5 GLY A 282
GLY A  72
SER A 278
THR A 277
LEU A 126
 None
 1.09A 4lbxB-4l4qA:
undetectable		 4lbxB-4l4qA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4owt INTEGRATOR COMPLEX
SUBUNIT 3

(Homo sapiens) 		PF10189
(Ints3) 		5 ASP A 218
GLY A 174
GLY A 173
LEU A 183
ASP A 348
 None
 0.89A 4lbxB-4owtA:
undetectable		 4lbxB-4owtA:
20.93
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.
4pvv ADENOSINE KINASE

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-4.4A)
HO4  A 401 (-3.3A)
 0.46A 4lbxB-4pvvA:
29.6		 4lbxB-4pvvA:
26.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s13 FERULIC ACID
DECARBOXYLASE 1

(Saccharomyces
cerevisiae) 		PF01977
(UbiD) 		5 ILE A  84
GLY A  82
THR A 328
LEU A 329
ASP A  22
 None
 0.93A 4lbxB-4s13A:
undetectable		 4lbxB-4s13A:
20.39
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.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		6 ASP A  11
GLY A  29
GLY A  30
ASN A  34
LEU A 162
ASP A 249
 None
None
None
None
None
ANP  A 401 ( 4.3A)
 1.28A 4lbxB-4wjmA:
31.5		 4lbxB-4wjmA:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x8f RIBOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		6 ASP A  13
GLY A  38
GLY A  39
ASN A  43
THR A 248
ASP A 252
 None
 0.71A 4lbxB-4x8fA:
30.2		 4lbxB-4x8fA:
27.01
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.
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis) 		no annotation 5 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
 INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
 0.81A 4lbxB-4xf7A:
24.6		 4lbxB-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xyw O-ANTIGEN
BIOSYNTHESIS
GLYCOSYLTRANSFERASE
WBNH

(Escherichia
coli) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		6 GLY A 278
GLY A 279
ASN A 144
SER A 255
LEU A 251
ASP A 145
 None
 1.39A 4lbxB-4xywA:
5.8		 4lbxB-4xywA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y6o NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2

(Homo sapiens) 		PF02146
(SIR2) 		5 ILE A  87
GLY A 261
GLY A  86
THR A 146
LEU A 172
 None
 1.00A 4lbxB-4y6oA:
4.3		 4lbxB-4y6oA:
22.10
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.
5c41 RIBOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 ASP A  27
GLY A  52
GLY A  53
ASN A  57
ASP A 269
 None
None
None
None
NA  A 403 ( 4.7A)
 0.44A 4lbxB-5c41A:
33.3		 4lbxB-5c41A:
25.82
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.
5c41 RIBOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		6 GLY A  52
GLY A  53
ASN A  57
GLU A 154
THR A 265
ASP A 269
 None
None
None
None
None
NA  A 403 ( 4.7A)
 1.05A 4lbxB-5c41A:
33.3		 4lbxB-5c41A:
25.82
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.
5eb5 HNL ISOENZYME 5

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ILE A 108
GLY A 105
GLY A 104
THR A  66
LEU A  67
 None
FAD  A 601 (-3.4A)
None
None
None
 0.98A 4lbxB-5eb5A:
2.3		 4lbxB-5eb5A:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ey7 FRUCTOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		6 ASP A  30
GLY A  44
GLY A  45
ASN A  49
THR A 262
ASP A 266
 None
None
None
None
NA  A 401 (-4.9A)
None
 0.52A 4lbxB-5ey7A:
34.7		 4lbxB-5ey7A:
27.39
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.
5fkc BETA-FRUCTOFURANOSID
ASE

(Xanthophyllomyces
dendrorhous) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 GLY A 253
GLY A 218
ASN A 301
THR A 163
GLU A 176
 None
 1.08A 4lbxB-5fkcA:
undetectable		 4lbxB-5fkcA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fok IRON TRANSPORT OUTER
MEMBRANE RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ILE A  78
GLY A  77
ASN A 625
GLU A 581
THR A 645
 None
 1.03A 4lbxB-5fokA:
undetectable		 4lbxB-5fokA:
18.58
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.
5fyq NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2

(Homo sapiens) 		PF02146
(SIR2) 		5 ILE A  87
GLY A 261
GLY A  86
THR A 146
LEU A 172
 None
 0.89A 4lbxB-5fyqA:
undetectable		 4lbxB-5fyqA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ix1 MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
3

(Mus musculus) 		PF07496
(zf-CW)
PF13589
(HATPase_c_3) 		5 ASN A 121
ASP A  67
GLY A  69
THR A 119
ASP A  44
 None
ANP  A 502 (-3.6A)
None
None
ANP  A 502 (-4.0A)
 1.02A 4lbxB-5ix1A:
undetectable		 4lbxB-5ix1A:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mzs FERRIC ENTEROBACTIN
RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 5 ASP A 236
GLY A 237
THR A 148
GLU A 250
THR A 290
 None
 1.09A 4lbxB-5mzsA:
undetectable		 4lbxB-5mzsA:
13.72
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.
5obw CHAPERONE PROTEIN
DNAK

(Mycoplasma
genitalium) 		no annotation 5 ASN A 204
GLY A 180
GLY A 181
SER A  70
ASP A 210
 GOL  A 410 ( 3.9A)
ADP  A 402 (-3.5A)
None
None
None
 0.99A 4lbxB-5obwA:
undetectable		 4lbxB-5obwA:
10.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cw5 RIBOKINASE

(Cryptococcus
neoformans) 		no annotation 6 ASP A  16
GLY A  41
GLY A  42
ASN A  46
THR A 269
ASP A 273
 GOL  A 400 (-2.8A)
GOL  A 400 (-3.5A)
GOL  A 400 (-3.3A)
GOL  A 400 (-3.3A)
GOL  A 400 ( 4.9A)
None
 0.33A 4lbxB-6cw5A:
30.5		 4lbxB-6cw5A:
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 GLY A  41
GLY A  42
ASN A  46
GLU A 138
ASP A 273
 GOL  A 400 (-3.5A)
GOL  A 400 (-3.3A)
GOL  A 400 (-3.3A)
GOL  A 400 (-2.8A)
None
 0.86A 4lbxB-6cw5A:
30.5		 4lbxB-6cw5A:
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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 5 ILE L 215
GLY L 210
GLY L 209
THR L  66
LEU L  70
 None
 1.00A 4lbxB-6ehsL:
undetectable		 4lbxB-6ehsL:
12.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eno DEHYDRATASE FAMILY
PROTEIN

(Carboxydothermus
hydrogenoformans) 		no annotation 5 ILE A  55
ASP A  51
GLY A  54
ASN A   3
ASP A   2
 None
None
None
CIT  A 502 (-3.8A)
None
 1.08A 4lbxB-6enoA:
undetectable		 4lbxB-6enoA:
14.37
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.
6g0c UBIQUITINATING/DEUBI
QUITINATING ENZYME
SDEA

(Legionella
pneumophila) 		no annotation 5 ILE A 779
ASP A 780
GLY A 777
LEU A 880
GLU A 772
 None
 0.88A 4lbxB-6g0cA:
undetectable		 4lbxB-6g0cA:
13.72
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.
1fcp PROTEIN (FERRIC
HYDROXAMATE UPTAKE
RECEPTOR)

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER A  49
ILE A 581
TYR A 502
PRO A  74
 None
 1.29A 4lbxB-1fcpA:
0.0		 4lbxB-1fcpA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ydm HYPOTHETICAL PROTEIN
YQGN

(Bacillus
subtilis) 		PF01812
(5-FTHF_cyc-lig) 		4 SER A  49
ILE A 120
TYR A  97
PRO A 122
 None
 1.41A 4lbxB-1ydmA:
2.8		 4lbxB-1ydmA:
18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bwf UBIQUITIN-LIKE
PROTEIN DSK2

(Saccharomyces
cerevisiae) 		PF00240
(ubiquitin) 		4 SER A  59
ILE A   5
TYR A  60
PRO A  20
 None
 1.49A 4lbxB-2bwfA:
undetectable		 4lbxB-2bwfA:
12.20
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.
3tjr SHORT CHAIN
DEHYDROGENASE

(Mycobacterium
avium) 		PF00106
(adh_short) 		4 SER A 147
ILE A  22
TYR A 160
PRO A 251
 UNL  A 281 ( 2.6A)
UNL  A 281 ( 4.3A)
UNL  A 281 ( 4.7A)
None
 1.45A 4lbxB-3tjrA:
6.2		 4lbxB-3tjrA:
23.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		4 SER A  60
ILE A 117
TYR A 158
PRO A 314
 ADN  A 353 (-4.6A)
None
ADN  A 353 (-3.6A)
ADN  A 353 (-4.2A)
 0.14A 4lbxB-3uboA:
56.9		 4lbxB-3uboA:
71.88
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.
4ako SPORE COAT PROTEIN A

(Bacillus
subtilis) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 SER A 459
ILE A 467
TYR A 300
PRO A 456
 EDO  A1517 ( 3.8A)
None
None
None
 0.99A 4lbxB-4akoA:
0.0		 4lbxB-4akoA:
19.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		4 SER A  58
ILE A 115
TYR A 156
PRO A 312
 ADN  A 500 (-3.3A)
None
ADN  A 500 (-3.8A)
ADN  A 500 (-4.3A)
 0.50A 4lbxB-4e3aA:
62.5		 4lbxB-4e3aA:
100.00
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.
4im7 HYPOTHETICAL
OXIDOREDUCTASE YDFI

(Escherichia
coli) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		4 SER A 122
ILE A 260
TYR A  55
PRO A 219
 None
 1.43A 4lbxB-4im7A:
2.3		 4lbxB-4im7A:
25.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kh9 HYPOTHETICAL PROTEIN

(Legionella
pneumophila) 		PF16024
(DUF4785) 		4 SER A  83
ILE A 145
TYR A  67
PRO A 109
 None
 1.27A 4lbxB-4kh9A:
undetectable		 4lbxB-4kh9A:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ony EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 5

(Brucella
melitensis) 		PF00496
(SBP_bac_5) 		4 SER A 415
ILE A 427
TYR A 411
PRO A 429
 None
 1.41A 4lbxB-4onyA:
undetectable		 4lbxB-4onyA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l7n PLEXIN-A1

(Mus musculus) 		PF01833
(TIG) 		4 SER A1056
ILE A1051
TYR A1144
PRO A1053
 None
EDO  A1304 ( 4.6A)
None
None
 1.39A 4lbxB-5l7nA:
undetectable		 4lbxB-5l7nA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 SER A 900
ILE A 908
TYR A 897
PRO A 675
 None
 1.37A 4lbxB-5m5pA:
undetectable		 4lbxB-5m5pA:
10.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w8x LIPID-A-DISACCHARIDE
SYNTHASE

(Escherichia
coli) 		no annotation 4 SER A 122
ILE A 104
TYR A 154
PRO A 100
 None
 1.50A 4lbxB-5w8xA:
6.3		 4lbxB-5w8xA:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c4r STAPHYLOPINE
DEHYDROGENASE

(Staphylococcus
aureus) 		no annotation 4 SER A 123
ILE A 141
TYR A  96
PRO A 202
 None
 0.94A 4lbxB-6c4rA:
4.5		 4lbxB-6c4rA:
15.36