SIMILAR PATTERNS OF AMINO ACIDS FOR 2C49_A_ADNA1301_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.
1amy 1,4-ALPHA-D-GLUCAN
GLUCANOHYDROLASE

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		5 ALA A 141
ASP A 138
GLY A 140
GLY A 183
ASP A 179
 None
CA  A 500 (-2.3A)
CA  A 500 ( 4.8A)
CA  A 500 (-3.6A)
None
 1.17A 2c49A-1amyA:
undetectable		 2c49A-1amyA:
21.88
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.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii) 		PF00294
(PfkB) 		5 ASP A  24
GLY A  68
GLY A  69
ASN A  73
ASP A 318
 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)
 0.41A 2c49A-1dgmA:
28.6		 2c49A-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.
1dqs PROTEIN
(3-DEHYDROQUINATE
SYNTHASE)

(Aspergillus
nidulans) 		PF01761
(DHQ_synthase) 		5 GLY A 114
GLY A 113
THR A 182
PHE A 179
ASP A  44
 NAD  A 400 (-3.0A)
None
NAD  A 400 (-3.7A)
None
NAD  A 400 (-2.6A)
 1.03A 2c49A-1dqsA:
3.1		 2c49A-1dqsA:
22.95
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.
1hrd GLUTAMATE
DEHYDROGENASE

([Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ALA A 111
ASP A 114
GLY A 122
GLY A 123
ASP A 160
 None
 1.15A 2c49A-1hrdA:
3.2		 2c49A-1hrdA:
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.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		6 ASP A  16
GLY A  41
GLY A  42
ASN A  46
ALA A  98
ASP A 255
 RIB  A 311 (-2.8A)
RIB  A 311 (-3.3A)
RIB  A 311 (-3.4A)
RIB  A 311 (-3.3A)
RIB  A 311 (-3.6A)
RIB  A 311 (-3.1A)
 0.33A 2c49A-1rk2A:
37.0		 2c49A-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.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME

(Arabidopsis
thaliana) 		PF01946
(Thi4) 		5 ALA A  79
GLY A  77
GLY A  78
PHE A 256
ASP A 190
 None
AHZ  A 600 (-3.2A)
AHZ  A 600 (-3.6A)
None
ZN  A 500 ( 2.5A)
 0.88A 2c49A-1rp0A:
4.6		 2c49A-1rp0A:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sbp SULFATE-BINDING
PROTEIN

(Salmonella
enterica) 		PF13531
(SBP_bac_11) 		5 ALA A 133
GLY A 132
GLY A 131
GLN A 294
ASP A  68
 None
SO4  A 311 (-3.1A)
SO4  A 311 (-3.4A)
None
None
 1.17A 2c49A-1sbpA:
undetectable		 2c49A-1sbpA:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		5 ALA A 522
ASP A 524
GLY A 525
GLY A 526
ALA A 528
 None
 1.06A 2c49A-1sqjA:
undetectable		 2c49A-1sqjA:
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.
1twd COPPER HOMEOSTASIS
PROTEIN CUTC

(Shigella
flexneri) 		PF03932
(CutC) 		5 ALA A 154
GLY A 149
GLY A 157
ALA A 175
PHE A 187
 None
 1.06A 2c49A-1twdA:
undetectable		 2c49A-1twdA:
20.86
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.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ASP A  14
GLY A  39
GLY A  40
ASN A  44
ALA A  94
 None
 0.68A 2c49A-1vm7A:
33.8		 2c49A-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.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ASP A  14
GLY A  39
GLY A  40
ASN A  44
ASP A 246
 None
 0.53A 2c49A-1vm7A:
33.8		 2c49A-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.
1w5f CELL DIVISION
PROTEIN FTSZ

(Thermotoga
maritima) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 ALA A  32
GLY A  30
GLY A  31
ASN A  54
ASP A  56
 G2P  A 500 (-3.3A)
G2P  A 500 (-3.5A)
G2P  A 500 (-3.1A)
MG  A 501 ( 4.5A)
None
 1.02A 2c49A-1w5fA:
7.9		 2c49A-1w5fA:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y0y FRV OPERON PROTEIN
FRVX

(Pyrococcus
horikoshii) 		PF05343
(Peptidase_M42) 		5 GLY A 218
ASN A  51
ALA A 302
THR A 306
ASP A  47
 None
 1.14A 2c49A-1y0yA:
undetectable		 2c49A-1y0yA:
22.76
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.
1ysr SENSOR-TYPE
HISTIDINE KINASE
PRRB

(Mycobacterium
tuberculosis) 		PF02518
(HATPase_c) 		5 ALA A 436
ASP A 380
GLY A 435
GLY A 384
ALA A 354
 None
 1.12A 2c49A-1ysrA:
undetectable		 2c49A-1ysrA:
19.19
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.
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
 0.44A 2c49A-2abqA:
28.4		 2c49A-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) 		6 ALA A  10
ASP A  12
GLY A  39
GLY A  40
ASN A  44
ASP A 261
 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)
None
 0.59A 2c49A-2ajrA:
26.6		 2c49A-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.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  39
GLY A  40
ASN A  44
ASP A 192
 ACT  A 321 (-3.1A)
ACT  A 321 ( 4.3A)
ACT  A 321 (-3.9A)
ACT  A 321 (-3.9A)
None
 1.10A 2c49A-2ajrA:
26.6		 2c49A-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.
2aky ADENYLATE KINASE

(Saccharomyces
cerevisiae) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 GLY A  60
GLY A  61
ALA A 179
THR A 184
ASP A  65
 None
AP5  A 301 (-4.9A)
None
None
None
 1.10A 2c49A-2akyA:
undetectable		 2c49A-2akyA:
23.34
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 ALA A  45
ASP A  47
GLY A  48
ALA A 120
ASP A  70
 None
 1.06A 2c49A-2ecfA:
3.1		 2c49A-2ecfA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  36
GLY A  37
ASN A  41
ASP A 255
 None
None
None
None
ATP  A 411 (-4.1A)
 0.82A 2c49A-2f02A:
26.8		 2c49A-2f02A:
26.16
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.
2ffh PROTEIN (FFH)

(Thermus
aquaticus) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF02978
(SRP_SPB) 		5 ALA A 256
ASP A 250
GLY A 253
GLY A 254
ALA A 220
 None
 1.15A 2c49A-2ffhA:
2.5		 2c49A-2ffhA:
21.66
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) 		5 ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 None
None
89I  A 500 (-3.5A)
None
None
 0.43A 2c49A-2i6bA:
24.8		 2c49A-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) 		5 ASP A  12
GLY A  36
GLY A  37
ASN A  41
ASP A 249
 None
 0.68A 2c49A-2jg5A:
26.3		 2c49A-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.
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
 0.95A 2c49A-2nwhA:
25.5		 2c49A-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.
2qcv PUTATIVE
5-DEHYDRO-2-DEOXYGLU
CONOKINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		6 ASP A  22
GLY A  43
GLY A  44
ASN A  48
ALA A 101
ASP A 272
 None
None
None
None
None
PGE  A 332 (-3.6A)
 0.41A 2c49A-2qcvA:
32.5		 2c49A-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.
2vp8 DIHYDROPTEROATE
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00809
(Pterin_bind) 		5 ALA A 249
ASP A 217
ASN A 142
THR A 168
ASP A 123
 None
 1.16A 2c49A-2vp8A:
2.4		 2c49A-2vp8A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vsu P-HYDROXYCINNAMOYL
COA HYDRATASE/LYASE

(Pseudomonas
fluorescens) 		PF00378
(ECH_1) 		5 ALA C 123
GLY C 121
ALA C 157
THR C 161
CYH C 117
 None
 1.12A 2c49A-2vsuC:
undetectable		 2c49A-2vsuC:
21.61
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.
2woc ADP-RIBOSYL-[DINITRO
GEN REDUCTASE]
GLYCOHYDROLASE

(Rhodospirillum
rubrum) 		PF03747
(ADP_ribosyl_GH) 		5 GLY A  49
GLY A  48
ALA A  25
THR A  59
GLN A  57
 None
None
None
MN  A 401 (-3.2A)
None
 1.12A 2c49A-2wocA:
undetectable		 2c49A-2wocA:
20.91
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.
3a9s D-ARABINOSE
ISOMERASE

(Aeribacillus
pallidus) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 ASP A 318
GLY A 399
ASN A 397
THR A 311
GLN A 307
 None
None
MN  A 701 (-3.4A)
None
GOL  A 601 (-3.2A)
 1.07A 2c49A-3a9sA:
undetectable		 2c49A-3a9sA:
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 ALA A 516
ASP A 513
GLY A 515
GLY A 494
ALA A 512
 None
 0.82A 2c49A-3ak5A:
undetectable		 2c49A-3ak5A:
15.41
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) 		10 ALA A  10
ASP A  12
GLY A  47
GLY A  48
ASN A  52
ALA A 103
THR A 115
PHE A 117
GLN A 169
ASP A 253
 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 ( 3.8A)
AMP  A 501 ( 4.2A)
AMP  A 501 (-3.5A)
AMP  A 501 (-3.4A)
AMP  A 501 (-2.8A)
 0.54A 2c49A-3b1rA:
40.2		 2c49A-3b1rA:
30.09
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) 		7 ALA A  10
ASP A  12
GLY A  47
GLY A  48
ASN A  52
ASP A 144
ASP A 253
 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)
None
AMP  A 501 (-2.8A)
 1.15A 2c49A-3b1rA:
40.2		 2c49A-3b1rA:
30.09
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
GLY A  48
ASN A  52
ALA A 103
THR A 115
PHE A 117
 AMP  A 501 (-3.4A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.3A)
AMP  A 501 ( 3.8A)
AMP  A 501 ( 4.2A)
AMP  A 501 (-3.5A)
 1.27A 2c49A-3b1rA:
40.2		 2c49A-3b1rA:
30.09
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 ASP A  12
GLY A  47
ASN A  52
ALA A 103
THR A 115
GLN A 113
 AMP  A 501 (-2.9A)
AMP  A 501 ( 3.7A)
AMP  A 501 (-3.3A)
AMP  A 501 ( 3.8A)
AMP  A 501 ( 4.2A)
AMP  A 501 (-3.1A)
 1.46A 2c49A-3b1rA:
40.2		 2c49A-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.
3cfh GFP-LIKE
PHOTOSWITCHABLE
FLUORESCENT PROTEIN

(Anemonia
sulcata) 		PF01353
(GFP) 		5 ALA A 137
ASP L  56
GLY A 139
GLY A 138
ALA L  54
 None
 1.15A 2c49A-3cfhA:
undetectable		 2c49A-3cfhA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3czm L-LACTATE
DEHYDROGENASE

(Toxoplasma
gondii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASP A 143
GLY A 288
GLY A 193
ASN A 165
ASP A 168
 None
 1.04A 2c49A-3czmA:
5.9		 2c49A-3czmA:
24.39
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 ASP A  13
GLY A  33
GLY A  34
ASN A  38
ASP A 247
 None
 0.32A 2c49A-3ewmA:
30.0		 2c49A-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.
3fed GLUTAMATE
CARBOXYPEPTIDASE III

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 ALA A  74
ASP A 412
GLY A  75
ALA A 413
PHE A 416
 None
 1.04A 2c49A-3fedA:
undetectable		 2c49A-3fedA:
17.87
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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		6 ASP A  25
GLY A  50
GLY A  51
ASN A  55
ALA A 106
ASP A 242
 RIB  A 305 (-2.8A)
RIB  A 305 ( 3.7A)
RIB  A 305 (-3.1A)
RIB  A 305 (-3.2A)
RIB  A 305 (-3.3A)
RIB  A 305 (-2.9A)
 0.31A 2c49A-3go7A:
34.4		 2c49A-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.
3gux PUTATIVE
ZN-DEPENDENT
EXOPEPTIDASE

(Bacteroides
vulgatus) 		PF04389
(Peptidase_M28) 		5 ALA A 253
GLY A 257
GLY A 259
ALA A 321
THR A 318
 None
 1.15A 2c49A-3guxA:
undetectable		 2c49A-3guxA:
23.18
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.
3h0u PUTATIVE ENOYL-COA
HYDRATASE

(Streptomyces
avermitilis) 		PF00378
(ECH_1) 		5 ALA A 121
GLY A 120
GLY A 122
ALA A 154
PHE A 100
 None
DMS  A   1 (-3.3A)
None
None
None
 1.09A 2c49A-3h0uA:
undetectable		 2c49A-3h0uA:
21.75
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.
3h8l NADH OXIDASE

(Acidianus
ambivalens) 		PF07992
(Pyr_redox_2) 		5 ALA A  13
GLY A   9
GLY A   8
ASN A  34
ALA A  17
 None
FAD  A1001 (-3.4A)
FAD  A1001 (-3.4A)
FAD  A1001 (-3.3A)
None
 1.10A 2c49A-3h8lA:
5.3		 2c49A-3h8lA:
23.60
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.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		5 ASP A  33
GLY A  54
GLY A  55
ASN A  59
ASP A 275
 None
 0.40A 2c49A-3hj6A:
25.4		 2c49A-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.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		5 GLY A  54
GLY A  55
ASN A  59
PHE A 153
ASP A 275
 None
 1.07A 2c49A-3hj6A:
25.4		 2c49A-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.
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ALA B  86
GLY B  16
ASN B  22
THR A 318
PHE A 353
 NIO  B5661 ( 3.7A)
None
None
None
MOS  B 920 (-3.9A)
 1.04A 2c49A-3hrdB:
undetectable		 2c49A-3hrdB:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  37
GLY A  38
ASN A  42
ASP A 232
 None
 0.83A 2c49A-3i3yA:
28.0		 2c49A-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) 		5 ASP A  15
GLY A  41
GLY A  42
ASN A  46
ASP A 260
 None
 0.69A 2c49A-3in1A:
31.6		 2c49A-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) 		5 ALA A  10
ASP A  12
GLY A  26
GLY A  27
ASP A 237
 AMP  A 509 ( 3.8A)
AMP  A 509 (-2.8A)
AMP  A 509 ( 3.8A)
AMP  A 509 (-3.4A)
AMP  A 509 ( 3.3A)
 0.48A 2c49A-3kd6A:
33.0		 2c49A-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.
3kd6 CARBOHYDRATE KINASE,
PFKB FAMILY

(Chlorobaculum
tepidum) 		PF00294
(PfkB) 		5 ALA A  10
ASP A  12
GLY A  26
GLY A  27
THR A  96
 AMP  A 509 ( 3.8A)
AMP  A 509 (-2.8A)
AMP  A 509 ( 3.8A)
AMP  A 509 (-3.4A)
None
 0.80A 2c49A-3kd6A:
33.0		 2c49A-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.
3kzh PROBABLE SUGAR
KINASE

(Clostridium
perfringens) 		PF00294
(PfkB) 		5 GLY A  42
GLY A  43
ASN A  47
ASP A 145
ASP A 257
 None
 0.91A 2c49A-3kzhA:
28.0		 2c49A-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) 		5 ASP A  24
GLY A  44
GLY A  45
ASN A  49
ALA A 101
 None
 0.61A 2c49A-3lkiA:
23.6		 2c49A-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) 		5 ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 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 2c49A-3looA:
28.4		 2c49A-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.
3ngm EXTRACELLULAR LIPASE

(Fusarium
graminearum) 		PF01764
(Lipase_3) 		5 ALA A 256
ASP A 253
GLY A 224
GLY A 223
THR A 249
 None
 1.10A 2c49A-3ngmA:
undetectable		 2c49A-3ngmA:
22.57
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.
3otx ADENOSINE KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00294
(PfkB) 		5 ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 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)
 0.22A 2c49A-3otxA:
28.7		 2c49A-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.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		6 ASP A  19
GLY A  40
GLY A  41
ASN A  45
PHE A 111
ASP A 264
 None
 0.92A 2c49A-3pl2A:
31.3		 2c49A-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.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		6 GLY A  40
GLY A  41
ASN A  45
PHE A 111
ASP A 264
CYH A 300
 None
 1.18A 2c49A-3pl2A:
31.3		 2c49A-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.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		5 ALA A  10
ASP A  12
GLY A  37
GLY A  38
ASP A 251
 None
 0.76A 2c49A-3q1yA:
26.7		 2c49A-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.
3ry7 RIBOKINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		6 ASP A  14
GLY A  40
GLY A  41
ASN A  45
ALA A  97
ASP A 254
 GOL  A 401 (-3.1A)
GOL  A 401 ( 3.7A)
GOL  A 401 (-3.8A)
GOL  A 401 (-3.9A)
GOL  A 401 (-3.5A)
None
 0.51A 2c49A-3ry7A:
28.6		 2c49A-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.
3tc8 LEUCINE
AMINOPEPTIDASE

(Parabacteroides
distasonis) 		PF04389
(Peptidase_M28) 		5 ALA A 250
GLY A 254
GLY A 256
ALA A 317
THR A 314
 None
 1.17A 2c49A-3tc8A:
undetectable		 2c49A-3tc8A:
22.94
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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		5 ASP A  15
GLY A  58
GLY A  59
ASN A  63
ASP A 278
 ADN  A 353 (-2.8A)
ADN  A 353 (-3.3A)
ADN  A 353 (-3.2A)
ADN  A 353 (-3.4A)
ADN  A 353 (-3.3A)
 0.28A 2c49A-3uboA:
31.6		 2c49A-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.
3uqe 6-PHOSPHOFRUCTOKINAS
E ISOZYME 2

(Escherichia
coli) 		PF00294
(PfkB) 		5 ASP A  14
GLY A  38
GLY A  39
ASN A  43
ASP A 256
 None
 0.79A 2c49A-3uqeA:
26.9		 2c49A-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.
3v7n THREONINE SYNTHASE

(Burkholderia
thailandensis) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		5 ALA A  26
ASP A  28
GLY A  29
GLY A  30
ALA A   9
 None
 0.90A 2c49A-3v7nA:
2.7		 2c49A-3v7nA:
20.90
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.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		5 ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 302
 ADN  A 401 (-2.7A)
ADN  A 401 ( 3.8A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
ADN  A 401 (-2.9A)
 0.32A 2c49A-3vasA:
28.9		 2c49A-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.
3wfj 2-DEHYDROPANTOATE
2-REDUCTASE

(Enterococcus
faecium) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 ALA A  10
GLY A  12
GLY A   9
GLN A  82
ASP A  30
 NAD  A 401 (-3.1A)
None
NAD  A 401 (-3.0A)
NAD  A 401 (-3.3A)
NAD  A 401 (-2.7A)
 1.16A 2c49A-3wfjA:
5.0		 2c49A-3wfjA:
22.09
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.
3whe HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 ASP A 461
GLY A 463
GLY A 465
ASN A 464
THR A 451
 None
 1.11A 2c49A-3wheA:
undetectable		 2c49A-3wheA:
20.42
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.
3wmt PROBABLE FERULOYL
ESTERASE B-1

(Aspergillus
oryzae) 		PF07519
(Tannase) 		5 GLY A 205
GLY A 201
ALA A 227
GLN A 469
ASP A 134
 None
 1.05A 2c49A-3wmtA:
3.2		 2c49A-3wmtA:
20.92
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.
3zgb PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Flaveria
pringlei) 		PF00311
(PEPcase) 		5 ASP A 839
GLY A 851
ALA A 835
THR A 778
PHE A 780
 None
 1.04A 2c49A-3zgbA:
undetectable		 2c49A-3zgbA:
15.53
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.
3zgb PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Flaveria
pringlei) 		PF00311
(PEPcase) 		5 ASP A 839
GLY A 851
ALA A 835
THR A 778
PHE A 780
 None
 1.08A 2c49A-3zgbA:
undetectable		 2c49A-3zgbA:
15.53
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.
4b45 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		5 ALA A 263
GLY A 318
GLY A 317
ALA A 260
THR A 255
 None
 1.12A 2c49A-4b45A:
5.8		 2c49A-4b45A:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c22 L-FUCOSE ISOMERASE

(Streptococcus
pneumoniae) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 ASP A 311
GLY A 392
ASN A 390
THR A 304
GLN A 300
 None
None
EDO  A1590 (-4.6A)
None
CVU  A1589 (-2.5A)
 1.07A 2c49A-4c22A:
undetectable		 2c49A-4c22A:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dap SUGAR FERMENTATION
STIMULATION PROTEIN
A

(Escherichia
coli) 		PF03749
(SfsA) 		6 ALA A  40
ASP A 151
GLY A  39
ASN A  37
ALA A 152
THR A 154
 None
 1.11A 2c49A-4dapA:
undetectable		 2c49A-4dapA:
22.96
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		5 ASP A  13
GLY A  56
GLY A  57
ASN A  61
ASP A 276
 ADN  A 500 (-2.7A)
ADN  A 500 (-3.5A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.5A)
ADN  A 500 (-2.8A)
 0.29A 2c49A-4e3aA:
33.1		 2c49A-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.
4f4f THREONINE SYNTHASE

(Brucella
melitensis) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		5 ALA A  24
ASP A  26
GLY A  27
GLY A  28
ALA A  10
 None
 1.00A 2c49A-4f4fA:
undetectable		 2c49A-4f4fA:
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.
4keg MALTOSE-BINDING
PERIPLASMIC/PALATE
LUNG AND NASAL
EPITHELIUM CLONE
FUSION PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF01273
(LBP_BPI_CETP)
PF13416
(SBP_bac_8) 		5 ALA A 162
GLY A 165
GLY A 166
ALA A 188
GLN A 365
 None
 1.06A 2c49A-4kegA:
undetectable		 2c49A-4kegA:
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.
4kq9 RIBOSE ABC
TRANSPORTER,
SUBSTRATE BINDING
PROTEIN

(Conexibacter
woesei) 		PF13407
(Peripla_BP_4) 		5 ALA A 243
ASP A 240
GLY A 239
GLY A 264
ALA A 271
 None
 1.15A 2c49A-4kq9A:
6.0		 2c49A-4kq9A:
21.41
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.
4l8k PUTATIVE PEPTIDASE

(Parabacteroides
merdae) 		PF03572
(Peptidase_S41)
PF14684
(Tricorn_C1) 		5 GLY A 265
GLY A 266
ASN A 244
PHE A  43
ASP A 245
 None
PO4  A 401 (-3.3A)
None
None
MPD  A 403 (-4.0A)
 1.17A 2c49A-4l8kA:
undetectable		 2c49A-4l8kA:
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.
4npr XYLOGLUCAN-SPECIFIC
ENDO-BETA-1,4-GLUCAN
ASE GH12

(Aspergillus
niveus) 		PF01670
(Glyco_hydro_12) 		5 ALA A 144
GLY A 143
GLY A 142
ALA A 140
THR A 184
 None
 1.10A 2c49A-4nprA:
undetectable		 2c49A-4nprA:
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.
4pvv ADENOSINE KINASE

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		8 ALA A  10
ASP A  12
GLY A  47
GLY A  48
ASN A  52
PHE A 116
GLN A 172
ASP A 257
 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)
HO4  A 401 (-3.7A)
HO4  A 401 (-3.3A)
 0.79A 2c49A-4pvvA:
35.7		 2c49A-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.
4pvv ADENOSINE KINASE

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		6 ALA A  10
GLY A  48
ASN A  52
PHE A 116
GLN A 172
ASP A 257
 HO4  A 401 (-3.3A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-3.6A)
HO4  A 401 (-3.7A)
HO4  A 401 (-3.3A)
 1.48A 2c49A-4pvvA:
35.7		 2c49A-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.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		5 ASP A  11
GLY A  29
GLY A  30
ASN A  34
ALA A  85
 None
 0.64A 2c49A-4wjmA:
29.5		 2c49A-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.
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)
 0.46A 2c49A-4wjmA:
29.5		 2c49A-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) 		6 ASP A  13
GLY A  38
GLY A  39
ASN A  43
ALA A  95
ASP A 252
 None
 0.63A 2c49A-4x8fA:
31.6		 2c49A-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) 		6 ASP A  27
GLY A  52
GLY A  53
ASN A  57
ALA A 109
ASP A 269
 None
None
None
None
None
NA  A 403 ( 4.7A)
 0.51A 2c49A-5c41A:
32.0		 2c49A-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.
5e9c HEPARANASE

(Homo sapiens) 		PF03662
(Glyco_hydro_79n) 		5 ALA A 347
GLY A 351
ASN A 390
ALA A 305
ASP A 357
 None
 1.16A 2c49A-5e9cA:
undetectable		 2c49A-5e9cA:
22.57
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.
5ey7 FRUCTOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		6 ASP A  30
GLY A  44
GLY A  45
ASN A  49
PHE A 115
ASP A 266
 None
 0.94A 2c49A-5ey7A:
32.6		 2c49A-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.
5ik2 ATP SYNTHASE EPSILON
CHAIN
ATP SYNTHASE GAMMA
CHAIN

(Caldalkalibacillus
thermarum) 		PF00231
(ATP-synt)
PF02823
(ATP-synt_DE_N) 		5 ALA H  79
ASP H  80
GLY H  65
GLY H  66
THR G 224
 None
 1.07A 2c49A-5ik2H:
undetectable		 2c49A-5ik2H:
18.15
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.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF02395
(Peptidase_S6) 		5 ALA A 464
ASP A 461
GLY A 463
GLY A 442
ALA A 460
 None
 0.90A 2c49A-5j44A:
undetectable		 2c49A-5j44A:
14.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5la7 HEPARANASE

(Homo sapiens) 		PF03662
(Glyco_hydro_79n) 		5 ALA A 347
GLY A 351
ASN A 390
ALA A 305
ASP A 357
 None
 0.98A 2c49A-5la7A:
undetectable		 2c49A-5la7A:
20.46
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.
5n6y NITROGENASE
VANADIUM-IRON
PROTEIN BETA CHAIN

(Azotobacter
vinelandii) 		no annotation 5 ALA E 447
GLY E 446
GLY E 443
ALA E 312
ASP E 287
 None
 0.94A 2c49A-5n6yE:
4.3		 2c49A-5n6yE:
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.
5oyd CELLULASE, PUTATIVE,
CEL5D

(Cellvibrio
japonicus) 		no annotation 5 ASP A 433
GLY A 443
GLY A 436
ASN A 437
THR A 133
 None
None
XYS  A 505 ( 3.2A)
None
None
 1.16A 2c49A-5oydA:
undetectable		 2c49A-5oydA:
16.16
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.
5t33 CAP257-RH1 HEAVY
CHAIN
RHPA GP120 CORE

(Homo sapiens;
Human
immunodeficiency
virus) 		PF00516
(GP120)
PF07654
(C1-set)
PF07686
(V-set) 		5 ALA H  33
ASP H 100
GLY H  97
GLY H  98
ASN G 280
 None
 1.13A 2c49A-5t33H:
undetectable		 2c49A-5t33H:
21.36
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.
5vhj 26S PROTEASOME
REGULATORY SUBUNIT 4

(Homo sapiens) 		PF00004
(AAA) 		5 ASP B 285
GLY B 231
GLY B 229
ALA B 330
ASP B 389
 None
 1.07A 2c49A-5vhjB:
undetectable		 2c49A-5vhjB:
23.79
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.
5vj1 MDCA

(Pseudomonas
aeruginosa) 		PF16957
(Mal_decarbox_Al) 		5 ALA A 488
GLY A 494
GLY A 489
ALA A 486
THR A 502
 None
 1.16A 2c49A-5vj1A:
undetectable		 2c49A-5vj1A:
18.31
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.
5x7h CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE

(Paenibacillus
sp. 598K) 		PF13199
(Glyco_hydro_66)
PF16990
(CBM_35) 		5 GLY A 305
ALA A 230
PHE A 143
ASP A 142
ASP A 350
 None
 1.14A 2c49A-5x7hA:
undetectable		 2c49A-5x7hA:
16.99
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.
5ysq TM0415

(Thermotoga
maritima) 		no annotation 5 ASP A  11
GLY A  25
GLY A  26
GLN A 141
ASP A 234
 INS  A 301 (-2.7A)
INS  A 301 (-3.4A)
INS  A 301 (-3.8A)
INS  A 301 (-3.0A)
INS  A 301 ( 4.9A)
 0.96A 2c49A-5ysqA:
26.6		 2c49A-5ysqA:
14.57
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.
6c5c 3-DEHYDROQUINATE
SYNTHASE

(Candida
albicans) 		no annotation 5 GLY A 111
GLY A 110
THR A 179
PHE A 176
ASP A  42
 NAD  A 401 (-3.1A)
None
NAD  A 401 (-3.8A)
None
NAD  A 401 (-2.7A)
 1.06A 2c49A-6c5cA:
undetectable		 2c49A-6c5cA:
12.17
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.
6c6l V-TYPE PROTON ATPASE
SUBUNIT C''
V-TYPE PROTON ATPASE
SUBUNIT D

(Saccharomyces
cerevisiae) 		no annotation 5 ALA C  89
GLY C  88
GLY B  15
ALA C 171
GLN B 303
 None
 0.97A 2c49A-6c6lC:
undetectable		 2c49A-6c6lC:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cw5 RIBOKINASE

(Cryptococcus
neoformans) 		no annotation 6 ASP A  16
GLY A  41
GLY A  42
ASN A  46
ALA A  96
ASP A 273
 GOL  A 400 (-2.8A)
GOL  A 400 (-3.5A)
GOL  A 400 (-3.3A)
GOL  A 400 (-3.3A)
GOL  A 400 (-3.6A)
None
 0.25A 2c49A-6cw5A:
33.7		 2c49A-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.
6f45 -

(-) 		no annotation 5 ALA D 205
GLY D 168
GLY D 197
ALA D 166
ASP D 187
 None
 1.02A 2c49A-6f45D:
undetectable		 2c49A-6f45D:
undetectable