SIMILAR PATTERNS OF AMINO ACIDS FOR 2C49_B_ADNB1301_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii)
PF00294
(PfkB)
4 ASP A  24
GLY A  68
GLY A  69
ASN A  73
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
0.48A 2c49B-1dgmA:
29.8
2c49B-1dgmA:
25.33
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.
1fbw ENDO-1,4-BETA-GLUCAN
ASE F


([Clostridium]
cellulolyticum)
PF02011
(Glyco_hydro_48)
4 ALA A 166
ASP A 169
GLY A 165
ASN A 160
None
0.75A 2c49B-1fbwA:
undetectable
2c49B-1fbwA:
18.71
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.
1h3g CYCLOMALTODEXTRINASE

(Flavobacterium
sp. 92)
PF00128
(Alpha-amylase)
PF09087
(Cyc-maltodext_N)
PF10438
(Cyc-maltodext_C)
4 ALA A 118
GLY A 120
GLY A 149
PHE A 485
None
0.65A 2c49B-1h3gA:
undetectable
2c49B-1h3gA:
18.36
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.
1id0 PHOQ HISTIDINE
KINASE


(Escherichia
coli)
PF02518
(HATPase_c)
4 ALA A 470
ASP A 415
GLY A 469
GLY A 419
ANP  A 487 (-3.5A)
ANP  A 487 (-3.7A)
None
ANP  A 487 (-4.3A)
0.78A 2c49B-1id0A:
undetectable
2c49B-1id0A:
20.61
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.
1l5j ACONITATE HYDRATASE
2


(Escherichia
coli)
PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N)
4 ALA A 429
GLY A  95
GLY A  96
ASN A  98
None
0.65A 2c49B-1l5jA:
undetectable
2c49B-1l5jA:
16.49
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.
1pgp 6-PHOSPHOGLUCONATE
DEHYDROGENASE


(Ovis aries)
PF00393
(6PGD)
PF03446
(NAD_binding_2)
4 ALA A 358
GLY A 356
GLY A 355
ASN A 353
None
0.70A 2c49B-1pgpA:
4.2
2c49B-1pgpA:
22.13
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.
1r4n AMYLOID BETA
PRECURSOR
PROTEIN-BINDING
PROTEIN 1
UBIQUITIN-ACTIVATING
ENZYME E1C


(Homo sapiens)
PF00899
(ThiF)
PF08825
(E2_bind)
5 ALA A 500
GLY A 498
GLY A 499
ASN A  48
PHE B 324
None
1.24A 2c49B-1r4nA:
2.1
2c49B-1r4nA:
20.49
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.
1rk2 RIBOKINASE

(Escherichia
coli)
PF00294
(PfkB)
4 ASP A  16
GLY A  41
GLY A  42
ASN A  46
RIB  A 311 (-2.8A)
RIB  A 311 (-3.3A)
RIB  A 311 (-3.4A)
RIB  A 311 (-3.3A)
0.41A 2c49B-1rk2A:
34.5
2c49B-1rk2A:
24.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tyd TYROSYL-TRNA
SYNTHETASE


(Geobacillus
stearothermophilus)
PF00579
(tRNA-synt_1b)
4 ASP E  38
GLY E  70
GLY E  71
ASN E 123
TYR  E 320 (-3.6A)
TYR  E 320 ( 4.9A)
None
TYR  E 320 ( 4.7A)
0.74A 2c49B-1tydE:
undetectable
2c49B-1tydE:
22.92
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.
1tz6 PUTATIVE SUGAR
KINASE


(Salmonella
enterica)
PF00294
(PfkB)
4 ASP A  16
GLY A  30
GLY A  31
ASN A  35
AIS  A 402 (-2.5A)
AIS  A 402 ( 4.2A)
AIS  A 402 (-3.8A)
AIS  A 402 (-3.9A)
0.56A 2c49B-1tz6A:
31.3
2c49B-1tz6A:
24.86
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis)
PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C)
4 ALA A 758
ASP A 760
GLY A 761
GLY A 762
None
0.76A 2c49B-1ulvA:
undetectable
2c49B-1ulvA:
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.
1vbm TYROSYL-TRNA
SYNTHETASE


(Escherichia
coli)
PF00579
(tRNA-synt_1b)
4 ASP A  41
GLY A  73
GLY A  74
ASN A 126
YSA  A3001 (-3.9A)
YSA  A3001 ( 4.9A)
None
YSA  A3001 ( 4.9A)
0.76A 2c49B-1vbmA:
2.2
2c49B-1vbmA:
23.48
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.
1vm7 RIBOKINASE

(Thermotoga
maritima)
PF00294
(PfkB)
4 ASP A  14
GLY A  39
GLY A  40
ASN A  44
None
0.19A 2c49B-1vm7A:
36.6
2c49B-1vm7A:
29.97
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.
1ys5 LIPOPROTEIN

(Neisseria
meningitidis)
PF08794
(Lipoprot_C)
4 HIS A  84
ASP A  62
GLY A  64
GLY A  65
None
0.76A 2c49B-1ys5A:
undetectable
2c49B-1ys5A:
21.19
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.
1zxn DNA TOPOISOMERASE
II, ALPHA ISOZYME


(Homo sapiens)
PF00204
(DNA_gyraseB)
PF02518
(HATPase_c)
5 ASP A 327
GLY A 323
GLY A 322
ASN A 380
PHE A 308
None
0.96A 2c49B-1zxnA:
undetectable
2c49B-1zxnA:
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)
4 ASP A  12
GLY A  36
GLY A  37
ASN A  41
None
0.63A 2c49B-2abqA:
28.6
2c49B-2abqA:
26.10
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.
2ajr SUGAR KINASE, PFKB
FAMILY


(Thermotoga
maritima)
PF00294
(PfkB)
5 ALA A  10
ASP A  12
GLY A  39
GLY A  40
ASN A  44
ACT  A 321 ( 4.4A)
ACT  A 321 (-3.1A)
ACT  A 321 ( 4.3A)
ACT  A 321 (-3.9A)
ACT  A 321 (-3.9A)
0.75A 2c49B-2ajrA:
25.2
2c49B-2ajrA:
27.65
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.
2bvg 6-HYDROXY-D-NICOTINE
OXIDASE


(Paenarthrobacter
nicotinovorans)
PF01565
(FAD_binding_4)
PF08031
(BBE)
5 ALA A 154
GLY A 142
GLY A 143
ASN A 413
PHE A 135
None
None
FAD  A 600 (-3.0A)
FAD  A 600 (-3.8A)
None
1.42A 2c49B-2bvgA:
undetectable
2c49B-2bvgA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2epg HYPOTHETICAL PROTEIN
TTHA1785


(Thermus
thermophilus)
PF01139
(RtcB)
5 HIS A 328
ALA A 348
ASP A  64
GLY A  74
GLY A 347
None
1.48A 2c49B-2epgA:
undetectable
2c49B-2epgA:
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.
2f7v AECTYLCITRULLINE
DEACETYLASE


(Xanthomonas
campestris)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
4 ALA A 203
GLY A 201
GLY A 200
PHE A 223
None
0.72A 2c49B-2f7vA:
undetectable
2c49B-2f7vA:
21.91
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.
2fkk BASEPLATE STRUCTURAL
PROTEIN GP10


(Escherichia
virus T4)
no annotation 4 GLY A 518
GLY A 517
ASN A 502
PHE A 481
None
0.74A 2c49B-2fkkA:
undetectable
2c49B-2fkkA:
23.93
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.
2i6b ADENOSINE KINASE

(Homo sapiens)
PF00294
(PfkB)
4 ASP A  18
GLY A  63
GLY A  64
ASN A  68
None
None
89I  A 500 (-3.5A)
None
0.62A 2c49B-2i6bA:
25.9
2c49B-2i6bA:
27.78
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.
2jg5 FRUCTOSE 1-PHOSPHATE
KINASE


(Staphylococcus
aureus)
PF00294
(PfkB)
4 ASP A  12
GLY A  36
GLY A  37
ASN A  41
None
0.60A 2c49B-2jg5A:
27.9
2c49B-2jg5A:
26.82
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.
2jwp MALECTIN

(Xenopus laevis)
PF11721
(Malectin)
5 ALA A  41
ASP A  32
GLY A  17
GLY A  18
ASN A  15
None
1.34A 2c49B-2jwpA:
undetectable
2c49B-2jwpA:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 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)
4 ASP A  13
GLY A  37
GLY A  38
ASN A  42
None
None
CL  A 403 (-3.5A)
None
0.26A 2c49B-2nwhA:
27.8
2c49B-2nwhA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o4v PORIN P

(Pseudomonas
aeruginosa)
PF07396
(Porin_O_P)
4 ALA A 268
GLY A 270
GLY A 196
PHE A 319
None
0.76A 2c49B-2o4vA:
undetectable
2c49B-2o4vA:
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.
2pid TYROSYL-TRNA
SYNTHETASE


(Homo sapiens)
PF00579
(tRNA-synt_1b)
4 ASP A  81
GLY A 113
GLY A 114
ASN A 173
YSA  A 384 (-3.9A)
YSA  A 384 ( 4.6A)
None
YSA  A 384 ( 4.8A)
0.69A 2c49B-2pidA:
undetectable
2c49B-2pidA:
20.57
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.
2qcv PUTATIVE
5-DEHYDRO-2-DEOXYGLU
CONOKINASE


(Bacillus
halodurans)
PF00294
(PfkB)
4 ASP A  22
GLY A  43
GLY A  44
ASN A  48
None
0.58A 2c49B-2qcvA:
31.2
2c49B-2qcvA:
26.53
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens)
no annotation 5 ALA A 409
GLY A 411
GLY A 410
ASN A 415
PHE A 331
None
CA  A 618 ( 4.2A)
CA  A 618 (-4.6A)
CA  A 618 (-2.8A)
None
1.34A 2c49B-2quaA:
undetectable
2c49B-2quaA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ts1 TYROSYL-TRNA
SYNTHETASE


(Geobacillus
stearothermophilus)
PF00579
(tRNA-synt_1b)
4 ASP A  38
GLY A  70
GLY A  71
ASN A 123
None
0.75A 2c49B-2ts1A:
undetectable
2c49B-2ts1A:
20.09
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.
2vhd CYTOCHROME C551
PEROXIDASE


(Pseudomonas
aeruginosa)
PF00034
(Cytochrom_C)
PF03150
(CCP_MauG)
4 HIS A  55
ALA A  62
GLY A  60
GLY A  61
HEC  A 401 (-3.3A)
None
None
None
0.75A 2c49B-2vhdA:
undetectable
2c49B-2vhdA:
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.
2xd3 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN


(Streptococcus
pneumoniae)
PF13416
(SBP_bac_8)
5 ALA A 252
ASP A 192
GLY A 253
GLY A 251
PHE A 392
GLC  A1423 (-4.6A)
GLC  A1423 (-3.2A)
GLC  A1423 (-3.3A)
GLC  A1423 (-3.4A)
None
1.31A 2c49B-2xd3A:
undetectable
2c49B-2xd3A:
22.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis)
PF00294
(PfkB)
6 ALA A  10
ASP A  12
GLY A  47
GLY A  48
ASN A  52
PHE A 117
AMP  A 501 (-3.4A)
AMP  A 501 (-2.9A)
AMP  A 501 ( 3.7A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.5A)
0.47A 2c49B-3b1rA:
36.7
2c49B-3b1rA:
30.09
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.
3b3l KETOHEXOKINASE

(Homo sapiens)
PF00294
(PfkB)
4 ASP A  15
GLY A  40
GLY A  41
ASN A  45
None
0.50A 2c49B-3b3lA:
28.6
2c49B-3b3lA:
23.26
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.
3bf5 RIBOKINASE RELATED
PROTEIN


(Thermoplasma
acidophilum)
PF00294
(PfkB)
5 HIS A   9
ASP A  13
GLY A  37
GLY A  38
ASN A  42
PGO  A 288 ( 4.9A)
None
None
None
None
0.72A 2c49B-3bf5A:
31.2
2c49B-3bf5A:
27.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cgy VIRULENCE SENSOR
HISTIDINE KINASE
PHOQ


(Salmonella
enterica)
PF02518
(HATPase_c)
4 ALA A 471
ASP A 416
GLY A 470
GLY A 420
RDC  A 700 (-3.3A)
RDC  A 700 (-3.1A)
None
RDC  A 700 (-4.1A)
0.74A 2c49B-3cgyA:
undetectable
2c49B-3cgyA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cv2 MALATE SYNTHASE A

(Escherichia
coli)
PF01274
(Malate_synthase)
4 GLY A 329
GLY A 328
ASN A 273
PHE A 379
None
0.72A 2c49B-3cv2A:
undetectable
2c49B-3cv2A:
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.
3d1j GLYCOGEN SYNTHASE

(Escherichia
coli)
PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5)
4 ALA A 402
ASP A 403
GLY A 400
GLY A 399
None
0.75A 2c49B-3d1jA:
8.1
2c49B-3d1jA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dm9 SIGNAL RECOGNITION
PARTICLE RECEPTOR


(Pyrococcus
furiosus)
PF00448
(SRP54)
PF02881
(SRP54_N)
4 ALA B 281
GLY B 279
GLY B 278
PHE B 312
None
0.74A 2c49B-3dm9B:
2.3
2c49B-3dm9B:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459


(Pyrococcus
horikoshii)
PF00294
(PfkB)
4 ASP A  13
GLY A  33
GLY A  34
ASN A  38
None
0.38A 2c49B-3ewmA:
30.1
2c49B-3ewmA:
29.12
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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis)
PF00294
(PfkB)
4 ASP A  25
GLY A  50
GLY A  51
ASN A  55
RIB  A 305 (-2.8A)
RIB  A 305 ( 3.7A)
RIB  A 305 (-3.1A)
RIB  A 305 (-3.2A)
0.51A 2c49B-3go7A:
31.2
2c49B-3go7A:
23.58
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.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii)
PF00294
(PfkB)
4 ASP A  33
GLY A  54
GLY A  55
ASN A  59
None
0.29A 2c49B-3hj6A:
25.2
2c49B-3hj6A:
25.64
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae)
PF00294
(PfkB)
4 ASP A  12
GLY A  37
GLY A  38
ASN A  42
None
0.35A 2c49B-3i3yA:
30.7
2c49B-3i3yA:
23.85
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.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH


(Escherichia
coli)
PF00294
(PfkB)
4 ASP A  15
GLY A  41
GLY A  42
ASN A  46
None
0.36A 2c49B-3in1A:
33.4
2c49B-3in1A:
25.36
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.
3kd6 CARBOHYDRATE KINASE,
PFKB FAMILY


(Chlorobaculum
tepidum)
PF00294
(PfkB)
4 ALA A  10
ASP A  12
GLY A  26
GLY A  27
AMP  A 509 ( 3.8A)
AMP  A 509 (-2.8A)
AMP  A 509 ( 3.8A)
AMP  A 509 (-3.4A)
0.33A 2c49B-3kd6A:
29.4
2c49B-3kd6A:
25.08
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.
3km5 LYSINE SPECIFIC
CYSTEINE PROTEASE


(Porphyromonas
gingivalis)
PF07675
(Cleaved_Adhesin)
4 ALA A1200
ASP A1326
GLY A1202
GLY A1203
CA  A2012 ( 4.3A)
CA  A2012 (-2.3A)
CA  A2012 (-4.1A)
CA  A2012 ( 4.6A)
0.77A 2c49B-3km5A:
undetectable
2c49B-3km5A:
21.12
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.
3kzh PROBABLE SUGAR
KINASE


(Clostridium
perfringens)
PF00294
(PfkB)
4 ASP A  18
GLY A  42
GLY A  43
ASN A  47
None
0.71A 2c49B-3kzhA:
30.5
2c49B-3kzhA:
25.55
Potential target for repurposing, i.e. matched protein structure has less than 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)
4 ASP A  24
GLY A  44
GLY A  45
ASN A  49
None
0.46A 2c49B-3lkiA:
24.8
2c49B-3lkiA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3loo ANOPHELES GAMBIAE
ADENOSINE KINASE


(Anopheles
gambiae)
PF00294
(PfkB)
4 ASP A  18
GLY A  63
GLY A  64
ASN A  68
B4P  A 349 (-2.8A)
B4P  A 349 ( 3.8A)
B4P  A 349 (-3.5A)
B4P  A 349 (-3.6A)
0.45A 2c49B-3looA:
27.0
2c49B-3looA:
24.67
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.
3os7 GALACTOSE
MUTAROTASE-LIKE
PROTEIN


(Clostridium
acetobutylicum)
PF01263
(Aldose_epim)
4 HIS A 184
ALA A 186
GLY A  72
ASN A  38
TLA  A 401 (-3.9A)
None
None
None
0.75A 2c49B-3os7A:
undetectable
2c49B-3os7A:
22.78
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.
3otx ADENOSINE KINASE,
PUTATIVE


(Trypanosoma
brucei)
PF00294
(PfkB)
4 ASP A  17
GLY A  62
GLY A  63
ASN A  67
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
0.49A 2c49B-3otxA:
27.3
2c49B-3otxA:
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.
3p5m ENOYL-COA
HYDRATASE/ISOMERASE


(Mycobacterium
avium)
PF00378
(ECH_1)
5 ALA A 136
GLY A 135
GLY A 134
ASN A  78
PHE A 125
None
1.11A 2c49B-3p5mA:
undetectable
2c49B-3p5mA:
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.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY


(Corynebacterium
glutamicum)
PF00294
(PfkB)
5 ASP A  19
GLY A  40
GLY A  41
ASN A  45
PHE A 111
None
0.91A 2c49B-3pl2A:
29.9
2c49B-3pl2A:
29.33
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.
3pyg 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE


(Mycobacterium
tuberculosis)
PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
4 ALA A 108
ASP A 109
GLY A 106
GLY A 105
None
None
ADP  A 307 (-3.2A)
ADP  A 307 (-3.3A)
0.70A 2c49B-3pygA:
undetectable
2c49B-3pygA:
22.12
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)
4 ALA A  10
ASP A  12
GLY A  37
GLY A  38
None
0.73A 2c49B-3q1yA:
26.6
2c49B-3q1yA:
24.56
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.
3ro3 G-PROTEIN-SIGNALING
MODULATOR 2


(Mus musculus)
PF13424
(TPR_12)
5 HIS A 205
ALA A 217
GLY A 199
GLY A 202
ASN A 203
None
1.36A 2c49B-3ro3A:
undetectable
2c49B-3ro3A:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ry7 RIBOKINASE

(Staphylococcus
aureus)
PF00294
(PfkB)
4 ASP A  14
GLY A  40
GLY A  41
ASN A  45
GOL  A 401 (-3.1A)
GOL  A 401 ( 3.7A)
GOL  A 401 (-3.8A)
GOL  A 401 (-3.9A)
0.35A 2c49B-3ry7A:
29.7
2c49B-3ry7A:
25.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ubm FORMYL-COA:OXALATE
COA-TRANSFERASE


(Acetobacter
aceti)
PF02515
(CoA_transf_3)
4 ASP A  18
GLY A  20
GLY A  21
ASN A 102
None
None
None
COA  A2001 (-4.0A)
0.67A 2c49B-3ubmA:
2.6
2c49B-3ubmA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti)
PF00294
(PfkB)
4 ASP A  15
GLY A  58
GLY A  59
ASN A  63
ADN  A 353 (-2.8A)
ADN  A 353 (-3.3A)
ADN  A 353 (-3.2A)
ADN  A 353 (-3.4A)
0.35A 2c49B-3uboA:
29.7
2c49B-3uboA:
25.20
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.
3ucg POLYADENYLATE-BINDIN
G PROTEIN 2


(Homo sapiens)
PF00076
(RRM_1)
4 ALA A 183
ASP A 180
GLY A 182
PHE A 237
None
0.74A 2c49B-3ucgA:
undetectable
2c49B-3ucgA:
16.61
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.
3uqe 6-PHOSPHOFRUCTOKINAS
E ISOZYME 2


(Escherichia
coli)
PF00294
(PfkB)
4 ASP A  14
GLY A  38
GLY A  39
ASN A  43
None
0.61A 2c49B-3uqeA:
28.0
2c49B-3uqeA:
22.29
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.
3vas PUTATIVE ADENOSINE
KINASE


(Schistosoma
mansoni)
PF00294
(PfkB)
4 ASP A  18
GLY A  63
GLY A  64
ASN A  68
ADN  A 401 (-2.7A)
ADN  A 401 ( 3.8A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
0.47A 2c49B-3vasA:
27.7
2c49B-3vasA:
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.
3vpi TYPE VI SECRETION
EXPORTED 1


(Pseudomonas
aeruginosa)
no annotation 4 HIS A  91
GLY A  86
GLY A  90
ASN A  51
None
0.77A 2c49B-3vpiA:
undetectable
2c49B-3vpiA:
21.01
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.
3w1h L-SERYL-TRNA(SEC)
SELENIUM TRANSFERASE


(Aquifex
aeolicus)
PF03841
(SelA)
5 HIS A 215
ALA A 248
GLY A 281
GLY A 249
ASN A 142
None
None
None
LLP  A 285 ( 3.0A)
LLP  A 285 ( 4.5A)
1.47A 2c49B-3w1hA:
undetectable
2c49B-3w1hA:
21.24
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli)
PF00294
(PfkB)
4 ASP A  13
GLY A  56
GLY A  57
ASN A  61
ADN  A 500 (-2.7A)
ADN  A 500 (-3.5A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.5A)
0.42A 2c49B-4e3aA:
31.2
2c49B-4e3aA:
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.
4e79 UDP-3-O-ACYLGLUCOSAM
INE
N-ACYLTRANSFERASE


(Acinetobacter
baumannii)
PF00132
(Hexapep)
PF04613
(LpxD)
PF14602
(Hexapep_2)
4 HIS A 244
ALA A 224
GLY A 204
GLY A 223
None
0.76A 2c49B-4e79A:
undetectable
2c49B-4e79A:
22.04
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.
4eqa PUTATIVE
UNCHARACTERIZED
PROTEIN


(Pseudomonas
aeruginosa)
no annotation 4 HIS A  91
GLY A  86
GLY A  90
ASN A  51
None
0.76A 2c49B-4eqaA:
undetectable
2c49B-4eqaA:
18.69
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.
4g8k 2-5A-DEPENDENT
RIBONUCLEASE


(Homo sapiens)
PF12796
(Ank_2)
PF13857
(Ank_5)
5 ALA A 169
GLY A 168
GLY A 167
ASN A 200
PHE A 126
None
1.08A 2c49B-4g8kA:
undetectable
2c49B-4g8kA:
20.74
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.
4gcz BLUE-LIGHT
PHOTORECEPTOR,
SENSOR PROTEIN FIXL


(Bacillus
subtilis;
Bradyrhizobium
diazoefficiens)
PF00512
(HisKA)
PF02518
(HATPase_c)
PF13426
(PAS_9)
5 ALA A 363
ASP A 310
GLY A 312
GLY A 314
PHE A 365
ADP  A 402 (-3.3A)
ADP  A 402 (-3.6A)
None
ADP  A 402 (-3.9A)
ADP  A 402 (-4.6A)
1.36A 2c49B-4gczA:
undetectable
2c49B-4gczA:
21.73
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.
4gcz BLUE-LIGHT
PHOTORECEPTOR,
SENSOR PROTEIN FIXL


(Bacillus
subtilis;
Bradyrhizobium
diazoefficiens)
PF00512
(HisKA)
PF02518
(HATPase_c)
PF13426
(PAS_9)
5 ALA A 363
ASP A 310
GLY A 362
GLY A 314
PHE A 365
ADP  A 402 (-3.3A)
ADP  A 402 (-3.6A)
None
ADP  A 402 (-3.9A)
ADP  A 402 (-4.6A)
1.29A 2c49B-4gczA:
undetectable
2c49B-4gczA:
21.73
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.
4glp MONOCYTE
DIFFERENTIATION
ANTIGEN CD14


(Homo sapiens)
PF13516
(LRR_6)
4 HIS A  60
ALA A  98
GLY A  63
GLY A  62
None
0.73A 2c49B-4glpA:
undetectable
2c49B-4glpA:
20.41
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.
4iss ALLOPHANATE
HYDROLASE


(Kluyveromyces
lactis)
PF01425
(Amidase)
4 ALA A 155
ASP A 124
GLY A 152
GLY A 151
None
0.68A 2c49B-4issA:
undetectable
2c49B-4issA:
18.43
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.
4jhr G-PROTEIN-SIGNALING
MODULATOR 2


(Mus musculus)
PF02188
(GoLoco)
PF13176
(TPR_7)
PF13424
(TPR_12)
5 HIS A 205
ALA A 217
GLY A 199
GLY A 202
ASN A 203
None
1.37A 2c49B-4jhrA:
undetectable
2c49B-4jhrA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lgn CELLULOSE-BINDING,
FAMILY II


(Acidothermus
cellulolyticus)
no annotation 4 ALA A 402
GLY A  18
GLY A  17
PHE A 366
None
0.77A 2c49B-4lgnA:
undetectable
2c49B-4lgnA:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o1o RIBONUCLEASE L

(Sus scrofa)
PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A)
PF12796
(Ank_2)
PF13857
(Ank_5)
5 ALA A 167
GLY A 166
GLY A 165
ASN A 198
PHE A 124
25L  A1000 ( 4.4A)
None
25L  A1000 ( 4.3A)
None
25L  A1000 (-3.5A)
1.12A 2c49B-4o1oA:
undetectable
2c49B-4o1oA:
17.56
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.
4oav PROTEIN (RNASE L)

(Homo sapiens)
PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A)
PF12796
(Ank_2)
PF13857
(Ank_5)
5 ALA B 169
GLY B 168
GLY B 167
ASN B 200
PHE B 126
A  C   3 ( 4.6A)
None
A  C   3 ( 4.4A)
None
A  C   3 ( 3.6A)
1.16A 2c49B-4oavB:
undetectable
2c49B-4oavB:
18.30
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.
4ohj TOXIC SHOCK SYNDROME
TOXIN-1


(Staphylococcus
aureus)
PF02876
(Stap_Strp_tox_C)
4 ASP A 207
GLY A 192
GLY A 191
ASN A 234
None
0.74A 2c49B-4ohjA:
undetectable
2c49B-4ohjA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pvv ADENOSINE KINASE

(Mycobacterium
tuberculosis)
PF00294
(PfkB)
6 ALA A  10
ASP A  12
GLY A  47
GLY A  48
ASN A  52
PHE A 116
HO4  A 401 (-3.3A)
HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-3.6A)
0.50A 2c49B-4pvvA:
35.1
2c49B-4pvvA:
28.19
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.
4qav 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2


(Neisseria
meningitidis)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 HIS A 170
ALA A 169
GLY A 346
GLY A 168
PHE A 262
None
1.50A 2c49B-4qavA:
undetectable
2c49B-4qavA:
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.
4rjw PORIN O

(Pseudomonas
aeruginosa)
PF07396
(Porin_O_P)
4 ALA A 270
GLY A 272
GLY A 197
PHE A 322
None
0.78A 2c49B-4rjwA:
undetectable
2c49B-4rjwA:
22.00
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.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB


(Brucella
abortus)
PF00294
(PfkB)
5 ASP A  11
GLY A  29
GLY A  30
ASN A  34
PHE A  98
None
0.63A 2c49B-4wjmA:
31.3
2c49B-4wjmA:
24.85
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.
4x8f RIBOKINASE

(Vibrio cholerae)
PF00294
(PfkB)
4 ASP A  13
GLY A  38
GLY A  39
ASN A  43
None
0.31A 2c49B-4x8fA:
33.5
2c49B-4x8fA:
25.15
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.
5c41 RIBOKINASE

(Homo sapiens)
PF00294
(PfkB)
4 ASP A  27
GLY A  52
GLY A  53
ASN A  57
None
0.36A 2c49B-5c41A:
33.3
2c49B-5c41A:
25.59
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.
5cc8 THIAMINE-MONOPHOSPHA
TE KINASE


(Acinetobacter
baumannii)
PF00586
(AIRS)
PF02769
(AIRS_C)
4 ALA A 162
ASP A 249
GLY A 247
GLY A 246
None
0.72A 2c49B-5cc8A:
undetectable
2c49B-5cc8A:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e3c DIPEPTIDYL PEPTIDASE
3


(Homo sapiens)
PF03571
(Peptidase_M49)
4 ALA A  47
GLY A  45
GLY A  44
PHE A 314
None
0.71A 2c49B-5e3cA:
undetectable
2c49B-5e3cA:
20.21
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.
5ey7 FRUCTOKINASE

(Vibrio cholerae)
PF00294
(PfkB)
5 ASP A  30
GLY A  44
GLY A  45
ASN A  49
PHE A 115
None
0.75A 2c49B-5ey7A:
32.1
2c49B-5ey7A:
25.15
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis)
PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
4 ALA A 155
ASP A 124
GLY A 152
GLY A 151
None
0.71A 2c49B-5i8iA:
4.0
2c49B-5i8iA:
10.93
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.
5idj CELL CYCLE HISTIDINE
KINASE CCKA


(Caulobacter
vibrioides)
PF00512
(HisKA)
PF02518
(HATPase_c)
5 ALA A 534
ASP A 479
GLY A 481
GLY A 483
PHE A 536
ADP  A 600 (-3.4A)
ADP  A 600 (-3.3A)
None
ADP  A 600 ( 4.5A)
ADP  A 600 (-4.5A)
1.42A 2c49B-5idjA:
undetectable
2c49B-5idjA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5idj CELL CYCLE HISTIDINE
KINASE CCKA


(Caulobacter
vibrioides)
PF00512
(HisKA)
PF02518
(HATPase_c)
5 ALA A 534
ASP A 479
GLY A 533
GLY A 483
PHE A 536
ADP  A 600 (-3.4A)
ADP  A 600 (-3.3A)
None
ADP  A 600 ( 4.5A)
ADP  A 600 (-4.5A)
1.32A 2c49B-5idjA:
undetectable
2c49B-5idjA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5idm CELL CYCLE HISTIDINE
KINASE CCKA


(Caulobacter
vibrioides)
PF02518
(HATPase_c)
5 ALA A 534
ASP A 479
GLY A 481
GLY A 483
PHE A 536
ANP  A 601 ( 3.8A)
ANP  A 601 (-3.5A)
None
ANP  A 601 ( 4.5A)
ANP  A 601 ( 4.6A)
1.33A 2c49B-5idmA:
undetectable
2c49B-5idmA:
20.40
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.
5idm CELL CYCLE HISTIDINE
KINASE CCKA


(Caulobacter
vibrioides)
PF02518
(HATPase_c)
5 ALA A 534
ASP A 479
GLY A 533
GLY A 483
PHE A 536
ANP  A 601 ( 3.8A)
ANP  A 601 (-3.5A)
None
ANP  A 601 ( 4.5A)
ANP  A 601 ( 4.6A)
1.30A 2c49B-5idmA:
undetectable
2c49B-5idmA:
20.40
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.
5ijx TYROSINE--TRNA
LIGASE,
MITOCHONDRIAL


(Coccidioides
posadasii)
PF00579
(tRNA-synt_1b)
4 ASP A 118
GLY A 150
GLY A 151
ASN A 214
TYR  A 501 (-2.9A)
TYR  A 501 ( 3.8A)
None
TYR  A 501 ( 4.4A)
0.69A 2c49B-5ijxA:
undetectable
2c49B-5ijxA:
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.
5mrj BETA-XYLANASE

(Acremonium
chrysogenum)
no annotation 5 HIS A 215
ALA A 329
GLY A 296
ASN A 262
PHE A 107
None
1.21A 2c49B-5mrjA:
undetectable
2c49B-5mrjA:
13.13
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.
5tj3 ALKALINE PHOSPHATASE
PAFA


(Elizabethkingia
meningoseptica)
PF01663
(Phosphodiest)
4 ALA A 330
ASP A 326
GLY A  56
GLY A  55
None
0.57A 2c49B-5tj3A:
undetectable
2c49B-5tj3A:
22.34
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.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1


(Schizosaccharomyces
pombe)
PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB)
5 ALA A 364
GLY A 362
GLY A 363
ASN A  55
PHE A 895
None
1.41A 2c49B-5um6A:
3.7
2c49B-5um6A:
15.75
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.
5yal ESTERASE

(Streptomyces
cinnamoneus)
no annotation 4 HIS A 268
ALA A 235
GLY A 266
GLY A 267
None
0.63A 2c49B-5yalA:
4.0
2c49B-5yalA:
13.33
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.
5zu5 ALGINATE LYASE

(Vibrio
splendidus)
no annotation 4 ALA A 265
ASP A 267
GLY A 268
GLY A 269
None
0.77A 2c49B-5zu5A:
undetectable
2c49B-5zu5A:
17.19
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.
6cw5 RIBOKINASE

(Cryptococcus
neoformans)
no annotation 4 ASP A  16
GLY A  41
GLY A  42
ASN A  46
GOL  A 400 (-2.8A)
GOL  A 400 (-3.5A)
GOL  A 400 (-3.3A)
GOL  A 400 (-3.3A)
0.40A 2c49B-6cw5A:
32.3
2c49B-6cw5A:
15.41
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.
6et9 ACETYL-COA
ACETYLTRANSFERASE
THIOLASE


(Methanothermococcus
thermolithotrophicus)
no annotation 5 HIS A 171
ALA A 170
ASP A 285
GLY A 330
GLY A 329
None
1.43A 2c49B-6et9A:
undetectable
2c49B-6et9A:
13.85