SIMILAR PATTERNS OF AMINO ACIDS FOR 4KAN_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.
1d6n PROTEIN
(HYPOXANTHINE-GUANIN
E
PHOSPHORIBOSYLTRANSF
ERASE)

(Homo sapiens) 		PF00156
(Pribosyltran) 		5 ASP A 134
GLY A  70
GLY A  69
ILE A 135
GLU A 196
 PRP  A 312 ( 2.9A)
PRP  A 312 (-3.1A)
PRP  A 312 (-4.3A)
PPO  A 300 ( 4.5A)
None
 1.00A 4kanB-1d6nA:
undetectable		 4kanB-1d6nA:
19.25
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.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii) 		PF00294
(PfkB) 		7 ASN A  20
ILE A  22
ASP A  24
GLY A  68
GLY A  69
ASN A  73
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)
ADN  A 375 ( 3.1A)
 0.62A 4kanB-1dgmA:
36.3		 4kanB-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) 		7 ILE A  22
ASP A  24
GLY A  68
GLY A  69
ASN A  73
THR A 140
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)
ADN  A 375 ( 3.1A)
 0.48A 4kanB-1dgmA:
36.3		 4kanB-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.
1hqr STREPTOCOCCAL
PYROGENIC EXOTOXIN C

(Streptococcus
pyogenes) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		5 ILE D 586
GLY D 589
GLY D 588
ASN D 691
ILE D 539
 None
 0.99A 4kanB-1hqrD:
undetectable		 4kanB-1hqrD:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
MAJOR SUBUNIT

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 ASN A 628
ASP A 456
GLY A 453
ASN A 171
ILE A 738
 None
 1.05A 4kanB-1kqfA:
undetectable		 4kanB-1kqfA:
17.29
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.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		6 ASP A  16
GLY A  41
GLY A  42
ASN A  46
ILE A 100
ASP A 255
 RIB  A 311 (-2.8A)
RIB  A 311 (-3.3A)
RIB  A 311 (-3.4A)
RIB  A 311 (-3.3A)
None
RIB  A 311 (-3.1A)
 0.34A 4kanB-1rk2A:
35.7		 4kanB-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)
 0.81A 4kanB-1rk2A:
35.7		 4kanB-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
ILE A 110
ASP A 255
 RIB  A 311 (-3.3A)
RIB  A 311 (-3.4A)
RIB  A 311 (-3.3A)
RIB  A 311 ( 4.6A)
RIB  A 311 (-3.1A)
 0.79A 4kanB-1rk2A:
35.7		 4kanB-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 4kanB-1to6A:
5.5		 4kanB-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.
1ty2 PUTATIVE EXOTOXIN
(SUPERANTIGEN)

(Streptococcus
pyogenes) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		5 ILE A  87
GLY A  90
GLY A  89
ASN A 193
ILE A  40
 None
 0.98A 4kanB-1ty2A:
undetectable		 4kanB-1ty2A:
19.44
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.
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)
 0.40A 4kanB-1tz6A:
35.2		 4kanB-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.
1ua4 ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
furiosus) 		PF04587
(ADP_PFK_GK) 		5 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.38A 4kanB-1ua4A:
24.5		 4kanB-1ua4A:
21.15
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.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		5 GLY A  33
GLY A  34
ASN A  38
GLU A  36
ASP A 251
 None
 0.56A 4kanB-1v19A:
36.2		 4kanB-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.
1vko INOSITOL-3-PHOSPHATE
SYNTHASE

(Caenorhabditis
elegans) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		5 ASN A  76
ASP A 148
GLY A  73
GLY A  74
ILE A 149
 NAD  A 601 ( 2.9A)
NAD  A 601 (-2.7A)
NAD  A 601 (-4.3A)
NAD  A 601 (-3.3A)
NAD  A 601 (-4.1A)
 0.99A 4kanB-1vkoA:
3.4		 4kanB-1vkoA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ASP A  14
GLY A  39
GLY A  40
ASN A  44
ASP A 246
 None
 0.54A 4kanB-1vm7A:
30.7		 4kanB-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
 0.95A 4kanB-1vm7A:
30.7		 4kanB-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 4kanB-1wyeA:
37.2		 4kanB-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.
1zmr PHOSPHOGLYCERATE
KINASE

(Escherichia
coli) 		PF00162
(PGK) 		5 ILE A 217
GLY A 215
GLY A 191
ILE A 188
ASP A 342
 None
 1.06A 4kanB-1zmrA:
3.1		 4kanB-1zmrA:
23.10
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.
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 4kanB-2abqA:
27.0		 4kanB-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 4kanB-2abqA:
27.0		 4kanB-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) 		5 GLY A  32
GLY A  33
ASN A  37
GLU A  35
ASP A 280
 None
 0.70A 4kanB-2afbA:
33.1		 4kanB-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 4kanB-2ajrA:
25.8		 4kanB-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) 		5 ASP A  17
ASN A  47
ILE A  19
THR A 111
ASP A 247
 ADN  A1301 (-2.8A)
ADN  A1301 (-3.4A)
None
ADN  A1301 (-3.1A)
ADN  A1301 (-2.9A)
 1.02A 4kanB-2c49A:
33.3		 4kanB-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.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		7 ASP A  17
GLY A  42
GLY A  43
ASN A  47
ILE A  19
THR A 243
ASP A 247
 ADN  A1301 (-2.8A)
ADN  A1301 (-3.4A)
ADN  A1301 (-3.3A)
ADN  A1301 (-3.4A)
None
ANP  A1304 (-4.3A)
ADN  A1301 (-2.9A)
 1.13A 4kanB-2c49A:
33.3		 4kanB-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.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		7 ASP A  17
GLY A  42
GLY A  43
ASN A  47
ILE A 101
THR A 243
ASP A 247
 ADN  A1301 (-2.8A)
ADN  A1301 (-3.4A)
ADN  A1301 (-3.3A)
ADN  A1301 (-3.4A)
None
ANP  A1304 (-4.3A)
ADN  A1301 (-2.9A)
 0.41A 4kanB-2c49A:
33.3		 4kanB-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) 		5 ILE A 197
GLY A 195
GLY A 196
GLU A 174
THR A 180
 None
 1.06A 4kanB-2cffA:
undetectable		 4kanB-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.
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)
 1.14A 4kanB-2f02A:
26.5		 4kanB-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 4kanB-2f02A:
26.5		 4kanB-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)
 1.00A 4kanB-2f02A:
26.5		 4kanB-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
 0.97A 4kanB-2f5vA:
2.8		 4kanB-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.
2hk0 D-PSICOSE
3-EPIMERASE

(Agrobacterium
tumefaciens) 		PF01261
(AP_endonuc_2) 		5 ILE A  66
GLY A 105
GLY A  65
ILE A 145
THR A  92
 ILE  A  66 ( 0.7A)
GLY  A 105 ( 0.0A)
GLY  A  65 ( 0.0A)
ILE  A 145 ( 0.7A)
THR  A  92 ( 0.8A)
 0.99A 4kanB-2hk0A:
undetectable		 4kanB-2hk0A:
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.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		6 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.56A 4kanB-2i6bA:
33.1		 4kanB-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
 0.65A 4kanB-2jg5A:
26.3		 4kanB-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.
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
 0.91A 4kanB-2nwhA:
26.6		 4kanB-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.
2p18 GLYOXALASE II

(Leishmania
infantum) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 ILE A 192
ILE A 206
THR A 204
GLU A 132
THR A 162
 None
 0.98A 4kanB-2p18A:
undetectable		 4kanB-2p18A:
23.78
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.
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 4kanB-2qcvA:
35.7		 4kanB-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
ILE A 113
ASP A 272
 None
None
None
None
PGE  A 332 (-3.6A)
 0.62A 4kanB-2qcvA:
35.7		 4kanB-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.
2rbc SUGAR KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		5 ASP A  19
GLY A  45
SER A 101
ILE A 103
ASP A 254
 GOL  A 333 (-2.9A)
GOL  A 333 ( 4.1A)
GOL  A 333 ( 2.2A)
None
None
 0.94A 4kanB-2rbcA:
32.0		 4kanB-2rbcA:
28.13
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.
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
 1.01A 4kanB-2v7yA:
undetectable		 4kanB-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 4kanB-2varA:
36.9		 4kanB-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
 1.06A 4kanB-2xsgA:
undetectable		 4kanB-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) 		5 ASP A  12
GLY A  47
ASN A  52
ILE A  14
THR A 115
 AMP  A 501 (-2.9A)
AMP  A 501 ( 3.7A)
AMP  A 501 (-3.3A)
None
AMP  A 501 ( 4.2A)
 0.99A 4kanB-3b1rA:
31.6		 4kanB-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.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  47
GLY A  48
ASN A  52
ILE A  14
THR A 249
 AMP  A 501 (-2.9A)
AMP  A 501 ( 3.7A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.3A)
None
None
 1.09A 4kanB-3b1rA:
31.6		 4kanB-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.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		7 ASP A  12
GLY A  47
GLY A  48
ASN A  52
ILE A 105
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
None
AMP  A 501 (-2.8A)
 0.56A 4kanB-3b1rA:
31.6		 4kanB-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
 0.42A 4kanB-3b3lA:
27.8		 4kanB-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
 0.99A 4kanB-3czmA:
6.3		 4kanB-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
 0.35A 4kanB-3ewmA:
33.5		 4kanB-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) 		5 GLY A  33
GLY A  34
ASN A  38
THR A 243
ASP A 247
 None
 0.73A 4kanB-3ewmA:
33.5		 4kanB-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) 		6 ASP A  25
GLY A  50
GLY A  51
ASN A  55
ILE A 108
ASP A 242
 RIB  A 305 (-2.8A)
RIB  A 305 ( 3.7A)
RIB  A 305 (-3.1A)
RIB  A 305 (-3.2A)
None
RIB  A 305 (-2.9A)
 0.48A 4kanB-3go7A:
31.7		 4kanB-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.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		5 ASP A  33
GLY A  54
GLY A  55
ASN A  59
ASP A 275
 None
 0.41A 4kanB-3hj6A:
29.0		 4kanB-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.
3i16 ALUMINUM RESISTANCE
PROTEIN

(Clostridium
novyi) 		PF06838
(Met_gamma_lyase) 		5 ILE A 388
GLY A 246
GLY A 247
SER A 386
ILE A 383
 None
 1.04A 4kanB-3i16A:
undetectable		 4kanB-3i16A:
22.22
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.
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
 1.15A 4kanB-3i3yA:
27.1		 4kanB-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
 0.76A 4kanB-3i3yA:
27.1		 4kanB-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
 0.75A 4kanB-3i3yA:
27.1		 4kanB-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
 0.80A 4kanB-3in1A:
32.3		 4kanB-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.
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)
 0.97A 4kanB-3kd6A:
29.5		 4kanB-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
 0.55A 4kanB-3kzhA:
28.8		 4kanB-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 4kanB-3lhxA:
30.5		 4kanB-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 4kanB-3lkiA:
25.8		 4kanB-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) 		6 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
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)
B4P  A 349 (-3.4A)
 0.28A 4kanB-3looA:
39.5		 4kanB-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
 0.99A 4kanB-3n54B:
undetectable		 4kanB-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
 0.95A 4kanB-3of7A:
undetectable		 4kanB-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.
3otx ADENOSINE KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00294
(PfkB) 		6 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
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)
AP5  A 346 ( 3.2A)
 0.27A 4kanB-3otxA:
39.6		 4kanB-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.
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
 0.29A 4kanB-3pl2A:
35.2		 4kanB-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
 1.00A 4kanB-3q1yA:
27.3		 4kanB-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.
3ry7 RIBOKINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 ASP A  14
GLY A  40
GLY A  41
ASN A  45
ASP A 254
 GOL  A 401 (-3.1A)
GOL  A 401 ( 3.7A)
GOL  A 401 (-3.8A)
GOL  A 401 (-3.9A)
None
 0.51A 4kanB-3ry7A:
28.3		 4kanB-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 ASP A  14
GLY A  40
GLY A  41
ASN A  45
ILE A  99
 GOL  A 401 (-3.1A)
GOL  A 401 ( 3.7A)
GOL  A 401 (-3.8A)
GOL  A 401 (-3.9A)
None
 0.63A 4kanB-3ry7A:
28.3		 4kanB-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
 0.99A 4kanB-3ry7A:
28.3		 4kanB-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.
3s4d LACTOSE
PHOSPHORYLASE

(Cellulomonas
uda) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 GLY A  42
GLY A  69
SER A  84
ILE A 106
THR A  82
 None
 0.95A 4kanB-3s4dA:
undetectable		 4kanB-3s4dA:
18.01
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
ILE A 117
THR A 129
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)
None
ADN  A 353 (-3.3A)
ADN  A 353 (-3.2A)
ADN  A 353 ( 4.8A)
ADN  A 353 (-3.3A)
 0.19A 4kanB-3uboA:
56.9		 4kanB-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) 		7 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
THR A 136
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 (-2.9A)
 0.39A 4kanB-3vasA:
40.5		 4kanB-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.
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 ILE A 590
GLY A 589
ILE A 109
GLU A 596
THR A 121
 None
 0.88A 4kanB-3zyvA:
undetectable		 4kanB-3zyvA:
14.01
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.
4b8s ADP-DEPENDENT
GLUCOKINASE

(Thermococcus
litoralis) 		PF04587
(ADP_PFK_GK) 		5 ASP A  42
GLY A 119
GLY A 120
ILE A 186
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
None
GLC  A 468 (-2.9A)
 0.42A 4kanB-4b8sA:
23.6		 4kanB-4b8sA:
23.17
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
ILE A 115
THR A 127
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)
None
ADN  A 500 (-3.0A)
ADN  A 500 (-3.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-2.8A)
 0.12A 4kanB-4e3aA:
62.7		 4kanB-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.
4fu0 D-ALANINE--D-ALANINE
LIGASE 7

(Enterococcus
faecalis) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 ASN A 314
ASP A 243
GLY A 228
ILE A 265
GLU A 312
 SO4  A 402 (-3.9A)
None
None
None
ADP  A 401 (-3.3A)
 0.91A 4kanB-4fu0A:
2.1		 4kanB-4fu0A:
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.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		5 GLY A  33
GLY A  34
ASN A  38
GLU A  36
ASP A 270
 GOL  A 401 ( 4.1A)
GOL  A 401 (-3.7A)
GOL  A 401 (-4.4A)
None
GOL  A 401 (-3.0A)
 0.63A 4kanB-4gm6A:
31.1		 4kanB-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.
4h16 SHORT CHAIN ALCOHOL
DEHYDROGENASE-RELATE
D DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 ILE A 218
GLY A 254
GLY A 253
ILE A 138
THR A 250
 None
 0.99A 4kanB-4h16A:
5.8		 4kanB-4h16A:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hq1 PROBABLE RECEPTOR
PROTEIN KINASE TMK1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 ILE A 443
GLY A 424
GLY A 444
ILE A 402
THR A 437
 None
 1.01A 4kanB-4hq1A:
undetectable		 4kanB-4hq1A:
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.
4j0w U3 SMALL NUCLEOLAR
RNA-INTERACTING
PROTEIN 2

(Homo sapiens) 		PF00400
(WD40) 		5 ASN A 457
ILE A 149
GLY A 439
SER A 163
ILE A 161
 None
 0.96A 4kanB-4j0wA:
undetectable		 4kanB-4j0wA:
21.57
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.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 5 ILE A 467
GLY A 454
GLY A 453
ILE A  14
THR A 431
 None
 0.94A 4kanB-4lgnA:
undetectable		 4kanB-4lgnA:
19.65
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.
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)
 0.45A 4kanB-4pvvA:
29.5		 4kanB-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.
4urp FATTY ACID
REPRESSION MUTANT
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00881
(Nitroreductase) 		5 ILE A 130
GLY A 126
ILE A  40
THR A 134
THR A  44
 None
 1.05A 4kanB-4urpA:
undetectable		 4kanB-4urpA:
21.45
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.
4wj3 ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Pseudomonas
aeruginosa) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 GLY M 487
GLY M 486
ILE M 237
GLU M 483
THR M 251
 None
 1.02A 4kanB-4wj3M:
undetectable		 4kanB-4wj3M:
21.31
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.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		5 ASP A  11
GLY A  29
GLY A  30
ASN A  34
ASP A 249
 None
None
None
None
ANP  A 401 ( 4.3A)
 0.51A 4kanB-4wjmA:
31.5		 4kanB-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.
4x2d FIC FAMILY PROTEIN
PUTATIVE
FILAMENTATION
INDUCED BY CAMP
PROTEIN

(Clostridioides
difficile) 		PF02661
(Fic) 		5 ASN A 169
ILE A 172
GLY A 173
ILE A  83
GLU A 160
 None
None
None
None
ATP  A 302 (-3.6A)
 0.96A 4kanB-4x2dA:
undetectable		 4kanB-4x2dA:
20.33
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.
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
 0.69A 4kanB-4x8fA:
30.3		 4kanB-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)
 0.79A 4kanB-4xf7A:
24.4		 4kanB-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.
4ybr NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01467
(CTP_transf_like) 		5 GLY A  10
GLY A  11
ILE A 114
THR A  86
ASP A  77
 NAP  A 301 (-3.1A)
NAP  A 301 (-3.4A)
NAP  A 301 (-3.9A)
NAP  A 301 (-4.0A)
None
 1.03A 4kanB-4ybrA:
2.3		 4kanB-4ybrA:
20.17
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.
4zze SUGAR BINDING
PROTEIN OF ABC
TRANSPORTER SYSTEM

(Bifidobacterium
animalis) 		PF01547
(SBP_bac_1) 		5 ASN A 417
ILE A 420
ILE A 248
THR A 250
THR A 243
 None
 1.05A 4kanB-4zzeA:
undetectable		 4kanB-4zzeA:
21.20
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.
5c41 RIBOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		7 ASP A  27
GLY A  52
GLY A  53
ASN A  57
GLU A 154
THR A 265
ASP A 269
 None
None
None
None
None
None
NA  A 403 ( 4.7A)
 1.13A 4kanB-5c41A:
33.4		 4kanB-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 ASP A  27
GLY A  52
GLY A  53
ASN A  57
ILE A 111
GLU A 154
 None
 1.19A 4kanB-5c41A:
33.4		 4kanB-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.
5e4y HOMOSERINE
O-ACETYLTRANSFERASE

(Pseudomonas
veronii) 		PF00561
(Abhydrolase_1) 		5 ASN A 252
GLY A  90
ASN A  97
ILE A  87
THR A 256
 None
 1.04A 4kanB-5e4yA:
undetectable		 4kanB-5e4yA:
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.
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
 0.50A 4kanB-5ey7A:
34.7		 4kanB-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.
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 4kanB-5ix1A:
undetectable		 4kanB-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.
5o0j ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
horikoshii) 		no annotation 5 ASP A  37
GLY A 114
GLY A 115
ILE A 181
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
None
GLC  A 503 (-2.6A)
 0.44A 4kanB-5o0jA:
24.4		 4kanB-5o0jA:
11.90
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.
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
 0.97A 4kanB-5obwA:
undetectable		 4kanB-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.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 5 ASP A  28
GLY A 106
GLY A 107
ILE A 174
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
None
GLC  A 501 ( 2.6A)
 0.47A 4kanB-5od2A:
22.8		 4kanB-5od2A:
13.61
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.
6cw5 RIBOKINASE

(Cryptococcus
neoformans) 		no annotation 7 ASP A  16
GLY A  41
GLY A  42
ASN A  46
ILE A  98
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)
None
GOL  A 400 ( 4.9A)
None
 0.42A 4kanB-6cw5A:
30.5		 4kanB-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
 0.88A 4kanB-6cw5A:
30.5		 4kanB-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
ILE A 108
ASP A 273
 GOL  A 400 (-3.5A)
GOL  A 400 (-3.3A)
GOL  A 400 (-3.3A)
GOL  A 400 ( 4.8A)
None
 0.87A 4kanB-6cw5A:
30.5		 4kanB-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.
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		3 SER A 222
TYR A 218
PRO A 187
 None
None
EST  A 350 (-4.1A)
 0.89A 4kanB-1a27A:
6.3		 4kanB-1a27A:
21.69
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.
1am5 PEPSIN

(Gadus morhua) 		PF00026
(Asp) 		3 SER A  35
TYR A  75
PRO A 135
 None
 0.83A 4kanB-1am5A:
undetectable		 4kanB-1am5A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b5f PROTEIN (CARDOSIN A)

(Cynara
cardunculus) 		PF00026
(Asp) 		3 SER A  35
TYR A  75
PRO A 135
 None
 0.89A 4kanB-1b5fA:
undetectable		 4kanB-1b5fA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b74 GLUTAMATE RACEMASE

(Aquifex
pyrophilus) 		PF01177
(Asp_Glu_race) 		3 SER A 205
TYR A  23
PRO A  95
 None
 0.61A 4kanB-1b74A:
3.3		 4kanB-1b74A:
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		3 SER E  35
TYR E  75
PRO E 135
 None
 0.74A 4kanB-1cziE:
undetectable		 4kanB-1cziE:
23.04
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.
1dgp ARISTOLOCHENE
SYNTHASE

(Penicillium
roqueforti) 		no annotation 3 SER A 210
TYR A 319
PRO A 174
 None
 0.93A 4kanB-1dgpA:
undetectable		 4kanB-1dgpA:
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.
1fdw 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		3 SER A 222
TYR A 218
PRO A 187
 EST  A 350 (-4.4A)
None
EST  A 350 (-4.3A)
 0.88A 4kanB-1fdwA:
6.3		 4kanB-1fdwA:
24.29
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.
1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE

(Escherichia
coli) 		PF00982
(Glyco_transf_20) 		3 SER A  80
TYR A 105
PRO A  86
 None
 0.74A 4kanB-1gz5A:
4.8		 4kanB-1gz5A:
20.75
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.
1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE

(Escherichia
coli) 		PF00982
(Glyco_transf_20) 		3 SER A 266
TYR A 265
PRO A 156
 None
 0.93A 4kanB-1gz5A:
4.8		 4kanB-1gz5A:
20.75
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.
1nt4 GLUCOSE-1-PHOSPHATAS
E

(Escherichia
coli) 		PF00328
(His_Phos_2) 		3 SER A 208
TYR A 247
PRO A  23
 None
 0.86A 4kanB-1nt4A:
undetectable		 4kanB-1nt4A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q0p COMPLEMENT FACTOR B

(Homo sapiens) 		PF00092
(VWA) 		3 SER A 342
TYR A 338
PRO A 349
 None
 0.76A 4kanB-1q0pA:
undetectable		 4kanB-1q0pA:
19.50
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.
1q0z ACLACINOMYCIN
METHYLESTERASE

(Streptomyces
purpurascens) 		PF00561
(Abhydrolase_1) 		3 SER A 187
TYR A 198
PRO A 249
 None
1PE  A2712 (-4.2A)
None
 0.85A 4kanB-1q0zA:
3.8		 4kanB-1q0zA:
23.45
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.
1qrp PEPSIN 3A

(Homo sapiens) 		PF00026
(Asp) 		3 SER E  35
TYR E  75
PRO E 135
 HH0  E 327 (-4.1A)
HH0  E 327 (-4.5A)
None
 0.81A 4kanB-1qrpE:
undetectable		 4kanB-1qrpE:
21.82
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.
1rpw TRANSCRIPTIONAL
REGULATOR QACR

(Staphylococcus
aureus) 		PF00440
(TetR_N)
PF08360
(TetR_C_5) 		3 SER A  86
TYR A  82
PRO A  94
 None
 0.72A 4kanB-1rpwA:
undetectable		 4kanB-1rpwA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1smr RENIN

(Mus musculus) 		PF00026
(Asp) 		3 SER A  35
TYR A  75
PRO A 135
 None
 0.86A 4kanB-1smrA:
undetectable		 4kanB-1smrA:
21.57
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.
1tzs CATHEPSIN E

(Homo sapiens) 		PF00026
(Asp) 		3 SER A  46
TYR A  86
PRO A 146
 None
 0.71A 4kanB-1tzsA:
undetectable		 4kanB-1tzsA:
21.17
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.
1vq0 33 KDA CHAPERONIN

(Thermotoga
maritima) 		PF01430
(HSP33) 		3 SER A 127
TYR A 143
PRO A 124
 None
 0.89A 4kanB-1vq0A:
undetectable		 4kanB-1vq0A:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5) 		3 SER 1 277
TYR 1 489
PRO 1 482
 None
 0.92A 4kanB-1wao1:
undetectable		 4kanB-1wao1:
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.
1wz2 LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		3 SER A  46
TYR A 109
PRO A  43
 None
 0.84A 4kanB-1wz2A:
undetectable		 4kanB-1wz2A:
15.66
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.
1ydm HYPOTHETICAL PROTEIN
YQGN

(Bacillus
subtilis) 		PF01812
(5-FTHF_cyc-lig) 		3 SER A  49
TYR A  97
PRO A 122
 None
 0.64A 4kanB-1ydmA:
2.8		 4kanB-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.
2aey FRUCTAN
1-EXOHYDROLASE IIA

(Cichorium
intybus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		3 SER A 276
TYR A 268
PRO A  26
 None
 0.86A 4kanB-2aeyA:
undetectable		 4kanB-2aeyA:
19.71
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.
2b71 CYCLOPHILIN-LIKE
PROTEIN

(Plasmodium
yoelii) 		PF00160
(Pro_isomerase) 		3 SER A 136
TYR A 108
PRO A  94
 None
 0.97A 4kanB-2b71A:
undetectable		 4kanB-2b71A:
20.34
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.
2c0l NONSPECIFIC
LIPID-TRANSFER
PROTEIN
PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR

(Homo sapiens) 		PF00515
(TPR_1)
PF02036
(SCP2)
PF13432
(TPR_16) 		3 SER A 565
TYR A 545
PRO B 138
 None
 0.94A 4kanB-2c0lA:
undetectable		 4kanB-2c0lA:
22.66
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.
2d4e 5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
SEMIALDEHYDE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00171
(Aldedh) 		3 SER A 481
TYR A 435
PRO A 270
 None
 0.90A 4kanB-2d4eA:
3.3		 4kanB-2d4eA:
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.
2g1s RENIN

(Homo sapiens) 		PF00026
(Asp) 		3 SER A  36
TYR A  78
PRO A 137
 4IG  A 885 ( 4.8A)
4IG  A 885 (-4.0A)
None
 0.88A 4kanB-2g1sA:
undetectable		 4kanB-2g1sA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gb3 ASPARTATE
AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00155
(Aminotran_1_2) 		3 SER A 215
TYR A  80
PRO A 171
 None
 0.93A 4kanB-2gb3A:
2.8		 4kanB-2gb3A:
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.
2lsn RNASE H

(Simian foamy
virus) 		PF00075
(RNase_H) 		3 SER A  90
TYR A  86
PRO A  96
 None
 0.89A 4kanB-2lsnA:
undetectable		 4kanB-2lsnA:
18.37
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.
2qt6 LACCASE

(Lentinus
tigrinus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 SER A 202
TYR A 209
PRO A 123
 None
 0.98A 4kanB-2qt6A:
undetectable		 4kanB-2qt6A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rch CYTOCHROME P450 74A

(Arabidopsis
thaliana) 		PF00067
(p450) 		3 SER A 213
TYR A 190
PRO A 240
 None
 0.97A 4kanB-2rchA:
undetectable		 4kanB-2rchA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x5d PROBABLE
AMINOTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00155
(Aminotran_1_2) 		3 SER A 225
TYR A  87
PRO A 180
 None
 0.88A 4kanB-2x5dA:
undetectable		 4kanB-2x5dA:
24.08
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.
2xwb COMPLEMENT FACTOR B

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin)
PF00092
(VWA) 		3 SER F 342
TYR F 338
PRO F 349
 None
 0.86A 4kanB-2xwbF:
undetectable		 4kanB-2xwbF:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yjn DTDP-4-KETO-6-DEOXY-
HEXOSE 3,4-ISOMERASE
GLYCOSYLTRANSFERASE

(Saccharopolyspora
erythraea) 		PF00067
(p450)
PF06722
(DUF1205) 		3 SER B  45
TYR A  93
PRO B  51
 None
 0.98A 4kanB-2yjnB:
undetectable		 4kanB-2yjnB:
25.75
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.
2yn2 UNCHARACTERIZED
PROTEIN YNL108C

(Saccharomyces
cerevisiae) 		PF00300
(His_Phos_1) 		3 SER A  37
TYR A  13
PRO A  24
 None
 0.98A 4kanB-2yn2A:
undetectable		 4kanB-2yn2A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ajb PEROXISOMAL
BIOGENESIS FACTOR 3

(Homo sapiens) 		PF04882
(Peroxin-3) 		3 SER A 167
TYR A 164
PRO A 240
 None
 0.98A 4kanB-3ajbA:
undetectable		 4kanB-3ajbA:
18.90
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.
3asa LL-DIAMINOPIMELATE
AMINOTRANSFERASE

(Chlamydia
trachomatis) 		PF00155
(Aminotran_1_2) 		3 SER A 217
TYR A  89
PRO A 172
 None
 0.78A 4kanB-3asaA:
undetectable		 4kanB-3asaA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		3 SER A 480
TYR A 509
PRO A 415
 None
 0.93A 4kanB-3bgaA:
undetectable		 4kanB-3bgaA:
17.37
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.
3ctp PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Alkaliphilus
metalliredigens) 		PF13377
(Peripla_BP_3) 		3 SER A 125
TYR A 131
PRO A  68
 None
 0.96A 4kanB-3ctpA:
2.3		 4kanB-3ctpA:
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.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		3 SER A 456
TYR A 485
PRO A 391
 None
 0.92A 4kanB-3decA:
undetectable		 4kanB-3decA:
17.13
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.
3eh2 PROTEIN TRANSPORT
PROTEIN SEC24C

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		3 SER A 488
TYR A 486
PRO A 208
 None
 0.77A 4kanB-3eh2A:
2.8		 4kanB-3eh2A:
18.88
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.
3iiu PERIDININ-CHLOROPHYL
L A-BINDING PROTEIN
1, CHLOROPLASTIC

(Amphidinium
carterae) 		PF02429
(PCP) 		3 SER M 112
TYR M 108
PRO M  32
 J7Z  M 615 (-3.6A)
PID  M 613 ( 3.4A)
J7Z  M 615 ( 4.5A)
 0.88A 4kanB-3iiuM:
undetectable		 4kanB-3iiuM:
18.05
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.
3lso PUTATIVE MEMBRANE
ANCHORED PROTEIN

(Corynebacterium
diphtheriae) 		PF16640
(Big_3_5) 		3 SER B 381
TYR B 379
PRO B 393
 None
 0.94A 4kanB-3lsoB:
undetectable		 4kanB-3lsoB:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mru AMINOACYL-HISTIDINE
DIPEPTIDASE

(Vibrio
alginolyticus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		3 SER A 174
TYR A 181
PRO A 460
 None
 0.89A 4kanB-3mruA:
undetectable		 4kanB-3mruA:
24.27
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.
3ntl ACID
GLUCOSE-1-PHOSPHATE
PHOSPHATASE

(Enterobacter
cloacae) 		PF00328
(His_Phos_2) 		3 SER A 206
TYR A 245
PRO A  21
 None
IHP  A 550 (-4.8A)
None
 0.96A 4kanB-3ntlA:
undetectable		 4kanB-3ntlA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ohn OUTER MEMBRANE USHER
PROTEIN FIMD

(Escherichia
coli) 		PF00577
(Usher) 		3 SER A 296
TYR A 222
PRO A 254
 None
 0.85A 4kanB-3ohnA:
undetectable		 4kanB-3ohnA:
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.
3psg PEPSINOGEN

(Sus scrofa) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		3 SER A  35
TYR A  75
PRO A 135
 None
 0.68A 4kanB-3psgA:
undetectable		 4kanB-3psgA:
21.81
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.
3qtg PYRUVATE KINASE

(Pyrobaculum
aerophilum) 		PF00224
(PK)
PF02887
(PK_C) 		3 SER A 411
TYR A 199
PRO A 420
 None
 0.86A 4kanB-3qtgA:
2.4		 4kanB-3qtgA:
24.16
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.
3qxf ENDOGLUCANASE

(Escherichia
coli) 		PF01270
(Glyco_hydro_8) 		3 SER A 115
TYR A 182
PRO A  94
 None
 0.73A 4kanB-3qxfA:
undetectable		 4kanB-3qxfA:
20.51
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.
3sgg HYPOTHETICAL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF14323
(GxGYxYP_C)
PF16216
(GxGYxYP_N) 		3 SER A 285
TYR A 408
PRO A 288
 None
 0.90A 4kanB-3sggA:
undetectable		 4kanB-3sggA:
19.27
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.
3ti7 BASIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE BPRV

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		3 SER A   7
TYR A 270
PRO A   3
 None
 0.94A 4kanB-3ti7A:
4.5		 4kanB-3ti7A:
24.02
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) 		3 SER A  60
TYR A 158
PRO A 314
 ADN  A 353 (-4.6A)
ADN  A 353 (-3.6A)
ADN  A 353 (-4.2A)
 0.12A 4kanB-3uboA:
56.9		 4kanB-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.
3ujq LEGUME LECTIN

(Lablab
purpureus) 		PF00139
(Lectin_legB) 		3 SER A 138
TYR A 136
PRO A 224
 None
 0.76A 4kanB-3ujqA:
undetectable		 4kanB-3ujqA:
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.
4ako SPORE COAT PROTEIN A

(Bacillus
subtilis) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 SER A 459
TYR A 300
PRO A 456
 EDO  A1517 ( 3.8A)
None
None
 0.67A 4kanB-4akoA:
undetectable		 4kanB-4akoA:
19.49
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.
4arx PESTICIDAL CRYSTAL
PROTEIN CRY1AC

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		3 SER A 176
TYR A 193
PRO A  52
 None
 0.98A 4kanB-4arxA:
undetectable		 4kanB-4arxA:
21.56
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.
4c4v OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		3 SER A 591
TYR A 578
PRO A 587
 None
 0.90A 4kanB-4c4vA:
undetectable		 4kanB-4c4vA:
23.71
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.
4ccd GALACTOCEREBROSIDASE

(Mus musculus) 		PF02057
(Glyco_hydro_59)
PF17387
(Glyco_hydro_59M) 		3 SER A 316
TYR A  58
PRO A 471
 None
 0.89A 4kanB-4ccdA:
undetectable		 4kanB-4ccdA:
19.73
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) 		3 SER A  58
TYR A 156
PRO A 312
 ADN  A 500 (-3.3A)
ADN  A 500 (-3.8A)
ADN  A 500 (-4.3A)
 0.59A 4kanB-4e3aA:
62.7		 4kanB-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.
4f5x RNA-DIRECTED RNA
POLYMERASE

(Rotavirus A) 		PF02123
(RdRP_4)
PF12289
(Rotavirus_VP1) 		3 SER W 671
TYR W 518
PRO W 281
 None
 0.84A 4kanB-4f5xW:
undetectable		 4kanB-4f5xW:
16.74
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.
4fl0 AMINOTRANSFERASE
ALD1

(Arabidopsis
thaliana) 		PF00155
(Aminotran_1_2) 		3 SER A 265
TYR A 126
PRO A 221
 None
 0.84A 4kanB-4fl0A:
undetectable		 4kanB-4fl0A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ikv DI-TRIPEPTIDE ABC
TRANSPORTER
(PERMEASE)

(Geobacillus
kaustophilus) 		PF00854
(PTR2) 		3 SER A 405
TYR A 406
PRO A 388
 None
 0.96A 4kanB-4ikvA:
undetectable		 4kanB-4ikvA:
21.95
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.
4k3c OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

([Haemophilus]
ducreyi) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		3 SER A 590
TYR A 577
PRO A 586
 None
 0.92A 4kanB-4k3cA:
undetectable		 4kanB-4k3cA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n75 OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag) 		3 SER A 591
TYR A 578
PRO A 587
 None
 0.91A 4kanB-4n75A:
undetectable		 4kanB-4n75A:
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.
4nsx U3 SMALL NUCLEOLAR
RNA-ASSOCIATED
PROTEIN 21

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		3 SER A 350
TYR A 295
PRO A 353
 None
 0.77A 4kanB-4nsxA:
undetectable		 4kanB-4nsxA:
19.28
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.
4oan TRAP DICARBOXYLATE
TRANSPORTER DCTP
SUBUNIT

(Rhodopseudomonas
palustris) 		PF03480
(DctP) 		3 SER A 224
TYR A 229
PRO A  43
 None
 0.88A 4kanB-4oanA:
undetectable		 4kanB-4oanA:
28.87
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.
4oo2 CHLOROPHENOL-4-MONOO
XYGENASE

(Streptomyces
globisporus) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		3 SER A 126
TYR A 123
PRO A 374
 None
 0.91A 4kanB-4oo2A:
undetectable		 4kanB-4oo2A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q2b ENDO-1,4-BETA-D-GLUC
ANASE

(Pseudomonas
putida) 		PF01270
(Glyco_hydro_8) 		3 SER A 115
TYR A 182
PRO A  94
 None
 0.87A 4kanB-4q2bA:
undetectable		 4kanB-4q2bA:
23.57
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.
4quk DIHYDROFLAVONOL-4-RE
DUCTASE

(Medicago
truncatula) 		PF01370
(Epimerase) 		3 SER A 261
TYR A 286
PRO A 277
 None
 0.92A 4kanB-4qukA:
6.1		 4kanB-4qukA:
22.25
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.
4rg1 C9ORF114

(Homo sapiens) 		PF02598
(Methyltrn_RNA_3) 		3 SER A 177
TYR A 259
PRO A 152
 None
 0.98A 4kanB-4rg1A:
3.0		 4kanB-4rg1A:
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.
4uzy FLAGELLAR ASSOCIATED
PROTEIN
INTRAFLAGELLAR
TRANSPORT PROTEIN
IFT52

(Chlamydomonas
reinhardtii) 		PF12895
(ANAPC3)
PF13174
(TPR_6)
no annotation 		3 SER A  90
TYR A  70
PRO B 355
 None
 0.99A 4kanB-4uzyA:
undetectable		 4kanB-4uzyA:
20.78
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.
4wxp NS3-4 PROTEASE

(Hepacivirus C) 		PF07652
(Flavi_DEAD) 		3 SER A 294
TYR A 270
PRO A 326
 None
 0.77A 4kanB-4wxpA:
undetectable		 4kanB-4wxpA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y7p ALKALINE D-PEPTIDASE

(Bacillus cereus) 		PF00144
(Beta-lactamase) 		3 SER A 215
TYR A 240
PRO A 211
 None
 0.81A 4kanB-4y7pA:
undetectable		 4kanB-4y7pA:
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.
4yu9 GLUTAMINYL-PEPTIDE
CYCLOTRANSFERASE

(Homo sapiens) 		PF04389
(Peptidase_M28) 		3 SER A 323
TYR A 299
PRO A 326
 None
 0.94A 4kanB-4yu9A:
undetectable		 4kanB-4yu9A:
20.83
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.
4z6k ALCOHOL
DEHYDROGENASE

(Moraxella sp.
TAE123) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 SER A 295
TYR A 183
PRO A 135
 None
 0.95A 4kanB-4z6kA:
5.2		 4kanB-4z6kA:
21.05
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		3 SER A 530
TYR A 511
PRO A 526
 None
 0.95A 4kanB-5hjrA:
undetectable		 4kanB-5hjrA:
17.42
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.
5huu ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
[UDP-FORMING]

(Candida
albicans) 		PF00982
(Glyco_transf_20) 		3 SER A  93
TYR A 118
PRO A  99
 None
 0.67A 4kanB-5huuA:
3.7		 4kanB-5huuA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hvm ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Aspergillus
fumigatus) 		PF00982
(Glyco_transf_20) 		3 SER A 101
TYR A 126
PRO A 107
 None
 0.66A 4kanB-5hvmA:
2.9		 4kanB-5hvmA:
22.18
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.
5hvo ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Aspergillus
fumigatus) 		PF00982
(Glyco_transf_20) 		3 SER A 100
TYR A 125
PRO A 106
 None
 0.72A 4kanB-5hvoA:
4.0		 4kanB-5hvoA:
22.40
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.
5hxa ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Paraburkholderia
xenovorans) 		PF00982
(Glyco_transf_20) 		3 SER A  89
TYR A 114
PRO A  95
 None
 0.76A 4kanB-5hxaA:
3.9		 4kanB-5hxaA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jbk BETA-GLUCOSIDASE

(Trichoderma
harzianum) 		PF00232
(Glyco_hydro_1) 		3 SER A 451
TYR A 393
PRO A 448
 None
 0.93A 4kanB-5jbkA:
undetectable		 4kanB-5jbkA:
23.30
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.
5jij ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE

(Mycolicibacterium
thermoresistibile) 		PF00982
(Glyco_transf_20) 		3 SER A  94
TYR A 119
PRO A 100
 None
 0.70A 4kanB-5jijA:
4.5		 4kanB-5jijA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jxm PRIB

(Streptomyces
sp. RM-5-8) 		PF11991
(Trp_DMAT) 		3 SER A  96
TYR A 380
PRO A 105
 None
TRS  A 501 ( 4.5A)
None
 0.92A 4kanB-5jxmA:
undetectable		 4kanB-5jxmA:
23.04
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.
5k9t PROTEIN TRANSLOCASE
SUBUNIT SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07517
(SecA_DEAD) 		3 SER A 232
TYR A 236
PRO A 228
 None
 0.84A 4kanB-5k9tA:
undetectable		 4kanB-5k9tA:
22.18
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.
5loi RAD26

(Thermothelomyces
thermophila) 		PF12331
(DUF3636) 		3 SER A 531
TYR A 527
PRO A 535
 None
 0.97A 4kanB-5loiA:
undetectable		 4kanB-5loiA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m76 LIGHT CHAIN DIMER

(Homo sapiens) 		no annotation 3 SER A 178
TYR A 180
PRO A 167
 None
 0.96A 4kanB-5m76A:
undetectable		 4kanB-5m76A:
21.49
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.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus) 		no annotation 3 SER A  39
TYR A  79
PRO A 139
 None
 0.81A 4kanB-5n7qA:
undetectable		 4kanB-5n7qA:
13.27
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.
5tqr POLYCOMB PROTEIN EED

(Chaetomium
thermophilum) 		PF00400
(WD40) 		3 SER A 101
TYR A 152
PRO A  47
 None
 0.97A 4kanB-5tqrA:
undetectable		 4kanB-5tqrA:
19.21
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.
5tvg ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Burkholderia
vietnamiensis) 		PF00982
(Glyco_transf_20) 		3 SER A  82
TYR A 107
PRO A  88
 None
 0.72A 4kanB-5tvgA:
3.7		 4kanB-5tvgA:
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.
5tvg ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Burkholderia
vietnamiensis) 		PF00982
(Glyco_transf_20) 		3 SER A 269
TYR A 268
PRO A 158
 None
 0.95A 4kanB-5tvgA:
3.7		 4kanB-5tvgA:
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.
5ue0 CT622 PROTEIN

(Chlamydia
trachomatis) 		no annotation 3 SER A 471
TYR A 478
PRO A 383
 None
 0.91A 4kanB-5ue0A:
undetectable		 4kanB-5ue0A:
13.62
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.
5v0t ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Paraburkholderia
xenovorans) 		PF00982
(Glyco_transf_20) 		3 SER A  90
TYR A 115
PRO A  96
 None
 0.74A 4kanB-5v0tA:
5.0		 4kanB-5v0tA:
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.
5v0t ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Paraburkholderia
xenovorans) 		PF00982
(Glyco_transf_20) 		3 SER A 281
TYR A 280
PRO A 166
 None
 0.91A 4kanB-5v0tA:
5.0		 4kanB-5v0tA:
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.
5wwo ESSENTIAL NUCLEAR
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF05291
(Bystin) 		3 SER A 352
TYR A 380
PRO A 314
 None
 0.91A 4kanB-5wwoA:
undetectable		 4kanB-5wwoA:
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.
5xeb ENVELOPE
GLYCOPROTEIN

(Dhori
thogotovirus) 		PF03273
(Baculo_gp64) 		3 SER A 160
TYR A 146
PRO A 115
 None
 0.98A 4kanB-5xebA:
undetectable		 4kanB-5xebA:
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		3 SER C2051
TYR C2004
PRO C2061
 None
 0.75A 4kanB-5y3rC:
undetectable		 4kanB-5y3rC:
6.34
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.
5yhp COLD ACTIVE PROLINE
IMINOPEPTIDASE

(Glaciozyma
antarctica) 		no annotation 3 SER A 233
TYR A 181
PRO A  44
 None
 0.91A 4kanB-5yhpA:
undetectable		 4kanB-5yhpA:
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.
5yow GLYCOPROTEIN
POLYPROTEIN

(Heartland virus) 		no annotation 3 SER A 317
TYR A 315
PRO A  37
 None
 0.94A 4kanB-5yowA:
undetectable		 4kanB-5yowA:
21.15
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.
5ze8 CYTOCHROME C552

(Thermochromatium
tepidum) 		no annotation 3 SER A  42
TYR A  53
PRO A 119
 HEM  A 503 ( 4.7A)
None
None
 0.85A 4kanB-5ze8A:
undetectable		 4kanB-5ze8A:
13.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b3e CYCLIN-DEPENDENT
KINASE 12

(Homo sapiens) 		no annotation 3 SER A 954
TYR A 978
PRO A 904
 None
 0.99A 4kanB-6b3eA:
undetectable		 4kanB-6b3eA:
14.01
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.
6c4r STAPHYLOPINE
DEHYDROGENASE

(Staphylococcus
aureus) 		no annotation 3 SER A 123
TYR A  96
PRO A 202
 None
 0.62A 4kanB-6c4rA:
undetectable		 4kanB-6c4rA:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cbp DH270.6 SINGLE CHAIN
VARIABLE FRAGMENT

(Homo sapiens) 		no annotation 3 SER A 108
TYR A 106
PRO A 112
 None
NAG  A 302 ( 4.9A)
None
 0.96A 4kanB-6cbpA:
undetectable		 4kanB-6cbpA:
9.83
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.
6gsw MU CLASS GLUTATHIONE
S-TRANSFERASE OF
ISOENZYME 3-3

(Rattus rattus) 		PF00043
(GST_C)
PF02798
(GST_N) 		3 SER A 209
TYR A  40
PRO A 206
 GPS  A 221 (-4.4A)
None
None
 0.97A 4kanB-6gswA:
undetectable		 4kanB-6gswA:
19.72