SIMILAR PATTERNS OF AMINO ACIDS FOR 1N2X_B_SAMB402_0

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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 THR A 156
GLY A 130
GLY A 131
VAL A 228
GLY A 215
 None
None
FAD  A 600 (-3.5A)
None
None
 0.89A 1n2xB-1bhyA:
undetectable		 1n2xB-1bhyA:
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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		5 GLY A 302
GLY A 307
GLY A 287
ASP A 273
GLY A 277
 None
 0.93A 1n2xB-1c7tA:
undetectable		 1n2xB-1c7tA:
15.71
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.
1fbw ENDO-1,4-BETA-GLUCAN
ASE F

([Clostridium]
cellulolyticum) 		PF02011
(Glyco_hydro_48) 		5 GLY A 322
GLY A 372
ASP A 230
GLY A 413
ASN A 503
 None
 0.95A 1n2xB-1fbwA:
undetectable		 1n2xB-1fbwA:
17.97
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.
1fcd FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(FLAVIN-BINDING
SUBUNIT)
FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(CYTOCHROME SUBUNIT)

(Allochromatium
vinosum;
Allochromatium
vinosum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind)
no annotation 		6 THR A  16
GLY A  14
GLY A  10
VAL A 101
TYR A  20
ASN C   9
 None
 1.47A 1n2xB-1fcdA:
undetectable		 1n2xB-1fcdA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fta FRUCTOSE-1,6-BISPHOS
PHATASE

(Homo sapiens) 		PF00316
(FBPase) 		5 GLY A 319
GLY A 260
GLY A 259
VAL A 324
ASN A 282
 None
 0.65A 1n2xB-1ftaA:
undetectable		 1n2xB-1ftaA:
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.
1inl SPERMIDINE SYNTHASE

(Thermotoga
maritima) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 100
GLY A 102
GLY A 103
ASP A 123
VAL A 126
 None
 0.86A 1n2xB-1inlA:
13.9		 1n2xB-1inlA:
21.13
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.
1iy9 SPERMIDINE SYNTHASE

(Bacillus
subtilis) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLY A  86
GLY A  88
GLY A  89
HIS A  63
ASP A 109
VAL A 112
 None
 1.46A 1n2xB-1iy9A:
12.2		 1n2xB-1iy9A:
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.
1j6q CYTOCHROME C
MATURATION PROTEIN E

(Shewanella
putrefaciens) 		PF03100
(CcmE) 		5 HIS A  85
GLU A  91
GLY A  90
GLY A  89
GLY A 109
 None
 0.92A 1n2xB-1j6qA:
undetectable		 1n2xB-1j6qA:
17.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		11 HIS A   8
THR A  32
GLY A  34
GLY A  36
GLY A  37
HIS A  38
ASP A  57
VAL A  60
TYR A  82
GLY A 105
ASN A 221
 SAH  A 401 (-3.8A)
SAH  A 401 (-3.9A)
SAH  A 401 (-3.5A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.3A)
SAH  A 401 (-4.0A)
None
None
SAH  A 401 (-3.8A)
SAH  A 401 (-4.4A)
SAH  A 401 (-4.2A)
 0.73A 1n2xB-1m6yA:
43.1		 1n2xB-1m6yA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		7 HIS A   8
THR A  32
GLY A  37
HIS A  38
TYR A  82
GLY A 105
ASN A 221
 SAH  A 401 (-3.8A)
SAH  A 401 (-3.9A)
SAH  A 401 (-3.3A)
SAH  A 401 (-4.0A)
SAH  A 401 (-3.8A)
SAH  A 401 (-4.4A)
SAH  A 401 (-4.2A)
 1.32A 1n2xB-1m6yA:
43.1		 1n2xB-1m6yA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		7 THR A  32
GLU A  35
GLY A  37
HIS A  38
TYR A  82
GLY A 105
ASN A 221
 SAH  A 401 (-3.9A)
None
SAH  A 401 (-3.3A)
SAH  A 401 (-4.0A)
SAH  A 401 (-3.8A)
SAH  A 401 (-4.4A)
SAH  A 401 (-4.2A)
 1.15A 1n2xB-1m6yA:
43.1		 1n2xB-1m6yA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		11 THR A  32
GLY A  34
GLU A  35
GLY A  36
GLY A  37
HIS A  38
ASP A  57
VAL A  60
TYR A  82
GLY A 105
ASN A 221
 SAH  A 401 (-3.9A)
SAH  A 401 (-3.5A)
None
SAH  A 401 (-4.1A)
SAH  A 401 (-3.3A)
SAH  A 401 (-4.0A)
None
None
SAH  A 401 (-3.8A)
SAH  A 401 (-4.4A)
SAH  A 401 (-4.2A)
 0.53A 1n2xB-1m6yA:
43.1		 1n2xB-1m6yA:
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.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  84
GLY A  86
GLY A  87
ASP A 106
VAL A 109
 None
 0.87A 1n2xB-1mjfA:
13.3		 1n2xB-1mjfA:
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.
1naa CELLOBIOSE
DEHYDROGENASE

(Phanerochaete
chrysosporium) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 223
GLY A 228
GLY A 227
GLY A 470
ASN A 430
 6FA  A 801 (-3.0A)
None
6FA  A 801 (-4.1A)
6FA  A 801 ( 4.0A)
None
 0.87A 1n2xB-1naaA:
undetectable		 1n2xB-1naaA:
19.54
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.
1q0z ACLACINOMYCIN
METHYLESTERASE

(Streptomyces
purpurascens) 		PF00561
(Abhydrolase_1) 		5 THR A 106
GLY A 104
GLY A  31
GLY A  32
VAL A  29
 AKA  A 600 (-3.8A)
None
None
AKA  A 600 (-4.3A)
None
 0.96A 1n2xB-1q0zA:
3.4		 1n2xB-1q0zA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qo8 FLAVOCYTOCHROME C3
FUMARATE REDUCTASE

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 GLY A 532
GLY A 533
HIS A 535
GLY A 309
ASN A 314
 None
None
None
FAD  A 605 (-3.3A)
None
 0.78A 1n2xB-1qo8A:
undetectable		 1n2xB-1qo8A:
20.11
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.
1sr4 CYTOLETHAL
DISTENDING TOXIN
PROTEIN C

([Haemophilus]
ducreyi) 		PF03498
(CDtoxinA) 		5 GLY C  83
GLY C  82
ASP C 129
TYR C 162
GLY C 150
 None
None
None
None
BR  C 524 (-3.5A)
 0.96A 1n2xB-1sr4C:
undetectable		 1n2xB-1sr4C:
21.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wg8 PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01795
(Methyltransf_5) 		6 THR A  30
GLY A  32
GLY A  35
HIS A  36
ASP A  53
GLY A  98
 SAM  A3142 (-3.8A)
SAM  A3142 (-3.4A)
SAM  A3142 (-3.1A)
SAM  A3142 (-3.9A)
None
SAM  A3142 (-4.6A)
 0.57A 1n2xB-1wg8A:
34.8		 1n2xB-1wg8A:
48.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wg8 PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01795
(Methyltransf_5) 		6 THR A  30
GLY A  32
GLY A  35
HIS A  36
GLY A  98
ASN A  74
 SAM  A3142 (-3.8A)
SAM  A3142 (-3.4A)
SAM  A3142 (-3.1A)
SAM  A3142 (-3.9A)
SAM  A3142 (-4.6A)
SAM  A3142 (-3.0A)
 1.32A 1n2xB-1wg8A:
34.8		 1n2xB-1wg8A:
48.50
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.
1xfs CONSERVED
HYPOTHETICAL PROTEIN

(Nitrosomonas
europaea) 		PF08327
(AHSA1) 		5 THR A  89
GLY A  75
GLU A  58
GLY A  57
ASN A 136
 None
 0.84A 1n2xB-1xfsA:
undetectable		 1n2xB-1xfsA:
18.63
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.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 130
GLY A 132
GLY A 133
ASP A 153
VAL A 156
 None
 0.91A 1n2xB-1xj5A:
14.1		 1n2xB-1xj5A:
22.58
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.
2b2c SPERMIDINE SYNTHASE

(Caenorhabditis
elegans) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 118
GLY A 120
GLY A 121
ASP A 141
VAL A 144
 None
 0.70A 1n2xB-2b2cA:
12.6		 1n2xB-2b2cA:
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.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		5 GLY A 152
GLY A 119
GLY A 100
ASP A 217
GLY A 157
 None
 0.96A 1n2xB-2cn3A:
undetectable		 1n2xB-2cn3A:
17.50
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.
2cu2 PUTATIVE
MANNOSE-1-PHOSPHATE
GUANYLYL TRANSFERASE

(Thermus
thermophilus) 		PF00483
(NTP_transferase) 		5 GLY A 138
GLY A 187
GLY A 188
TYR A 183
GLY A 163
 None
 0.96A 1n2xB-2cu2A:
undetectable		 1n2xB-2cu2A:
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.
2cuy MALONYL COA-[ACYL
CARRIER PROTEIN]
TRANSACYLASE

(Thermus
thermophilus) 		PF00698
(Acyl_transf_1) 		5 GLY A 127
GLU A 126
GLY A 125
VAL A 122
GLY A 149
 None
 0.94A 1n2xB-2cuyA:
undetectable		 1n2xB-2cuyA:
23.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f2f CYTOLETHAL
DISTENDING TOXIN C

(Aggregatibacter
actinomycetemcomitans) 		PF03498
(CDtoxinA) 		5 GLY C  83
GLY C  82
ASP C 129
TYR C 162
GLY C 150
 None
 0.77A 1n2xB-2f2fC:
undetectable		 1n2xB-2f2fC:
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.
2f2l PEPTIDOGLYCAN
RECOGNITION
PROTEIN-LC ISOFORM
LCX

(Drosophila
melanogaster) 		PF01510
(Amidase_2) 		6 GLY X 414
GLU X 411
GLY X 412
ASP X 416
GLY X 458
ASN X 359
 None
 1.44A 1n2xB-2f2lX:
undetectable		 1n2xB-2f2lX:
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.
2igw PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
3

(Caenorhabditis
elegans) 		PF00160
(Pro_isomerase) 		5 GLY A 116
GLU A  88
GLY A  82
GLY A  81
GLY A 111
 None
 0.94A 1n2xB-2igwA:
undetectable		 1n2xB-2igwA:
23.66
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.
2j7p CELL DIVISION
PROTEIN FTSY

(Thermus
aquaticus) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 THR D 117
GLY D 114
GLY D 112
VAL D 227
GLY D 283
 GNP  D1400 (-3.6A)
GNP  D1400 (-3.1A)
GNP  D1400 (-3.5A)
None
GNP  D1400 (-3.4A)
 0.91A 1n2xB-2j7pD:
3.6		 1n2xB-2j7pD:
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.
2jbw 2,6-DIHYDROXY-PSEUDO
-OXYNICOTINE
HYDROLASE

(Paenarthrobacter
nicotinovorans) 		PF06500
(DUF1100) 		6 GLY A 297
GLU A 324
GLY A 327
VAL A 323
TYR A 247
GLY A 241
 None
 1.38A 1n2xB-2jbwA:
undetectable		 1n2xB-2jbwA:
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.
2nty EMB|CAB41934.1
RAC-LIKE GTP-BINDING
PROTEIN ARAC5

(Arabidopsis
thaliana;
Arabidopsis
thaliana) 		PF03759
(PRONE)
PF00071
(Ras) 		5 GLY A  33
GLY A  31
GLY A  30
VAL A  34
GLY C  57
 None
 0.91A 1n2xB-2ntyA:
undetectable		 1n2xB-2ntyA:
25.52
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.
2okc TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 GLY A 180
GLY A 182
GLY A 183
VAL A 219
ASN A 284
 SAM  A 500 (-3.2A)
SAM  A 500 ( 4.5A)
SAM  A 500 (-3.2A)
None
None
 0.69A 1n2xB-2okcA:
11.9		 1n2xB-2okcA:
22.27
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.
2okc TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 GLY A 180
GLY A 182
GLY A 183
VAL A 219
GLY A 150
 SAM  A 500 (-3.2A)
SAM  A 500 ( 4.5A)
SAM  A 500 (-3.2A)
None
None
 0.87A 1n2xB-2okcA:
11.9		 1n2xB-2okcA:
22.27
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.
2owz FRUCTOSE-1,6-BISPHOS
PHATASE

(Escherichia
coli) 		PF00316
(FBPase) 		5 GLY A 314
GLY A 255
GLY A 254
VAL A 319
ASN A 277
 None
 0.82A 1n2xB-2owzA:
undetectable		 1n2xB-2owzA:
24.03
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.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLY A 126
GLY A 128
GLY A 129
HIS A 103
ASP A 149
VAL A 152
 S4M  A 501 ( 4.4A)
None
None
S4M  A 501 (-3.7A)
None
S4M  A 501 ( 4.2A)
 1.44A 1n2xB-2pt6A:
13.4		 1n2xB-2pt6A:
23.22
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.
2qy1 PECTATE LYASE II

(Xanthomonas
campestris) 		PF00544
(Pec_lyase_C) 		5 THR A  33
GLY A  35
GLY A  61
GLY A  60
VAL A  63
 None
 0.95A 1n2xB-2qy1A:
undetectable		 1n2xB-2qy1A:
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.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		5 GLY A  93
GLY A 134
GLY A 135
GLY A 295
ASN A 287
 None
 0.92A 1n2xB-2r9hA:
undetectable		 1n2xB-2r9hA:
19.73
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.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei) 		PF00686
(CBM_20)
PF00723
(Glyco_hydro_15) 		5 GLY A 105
GLU A 106
GLY A 103
GLY A  96
GLY A 174
 None
 0.92A 1n2xB-2vn7A:
undetectable		 1n2xB-2vn7A:
18.46
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.
2wan PULLULANASE

(Bacillus
acidopullulyticus) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 GLY A 772
GLY A 716
GLY A 713
TYR A 649
ASN A 549
 None
 0.94A 1n2xB-2wanA:
undetectable		 1n2xB-2wanA:
15.08
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.
2wjs LAMININ SUBUNIT
ALPHA-2

(Mus musculus) 		PF00054
(Laminin_G_1) 		5 GLY A2341
GLU A2342
GLY A2343
GLY A2512
ASN A2414
 None
 0.96A 1n2xB-2wjsA:
undetectable		 1n2xB-2wjsA:
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.
2xiv HYPOTHETICAL
INVASION PROTEIN

(Mycobacterium
tuberculosis) 		PF00877
(NLPC_P60) 		5 THR A 378
GLY A 380
GLY A 362
GLY A 361
GLY A 449
 None
 0.91A 1n2xB-2xivA:
undetectable		 1n2xB-2xivA:
18.89
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.
2yfq NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Peptoniphilus
asaccharolyticus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLU A 232
GLY A 236
GLY A 235
VAL A 238
GLY A 192
 None
 0.93A 1n2xB-2yfqA:
undetectable		 1n2xB-2yfqA:
23.39
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.
2yvs GLYCOLATE OXIDASE
SUBUNIT GLCE

(Thermus
thermophilus) 		no annotation 5 GLY A  44
GLY A  42
GLY A  41
VAL A  47
GLY A 102
 None
 0.95A 1n2xB-2yvsA:
undetectable		 1n2xB-2yvsA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLY A  86
GLY A  88
GLY A  89
HIS A  63
ASP A 109
VAL A 112
 None
None
None
AG3  A1001 (-4.0A)
None
None
 1.40A 1n2xB-2zsuA:
13.8		 1n2xB-2zsuA:
24.55
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.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 200
GLY A 202
GLY A 203
ASP A 222
VAL A 225
 MTA  A 401 (-3.7A)
None
None
None
MTA  A 401 (-4.2A)
 0.74A 1n2xB-3c6mA:
14.0		 1n2xB-3c6mA:
22.03
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.
3cwc PUTATIVE GLYCERATE
KINASE 2

(Salmonella
enterica) 		PF02595
(Gly_kinase) 		5 GLY A 252
GLY A 247
GLY A 246
ASP A 140
GLY A 209
 None
 0.95A 1n2xB-3cwcA:
undetectable		 1n2xB-3cwcA:
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.
3eqa GLUCOAMYLASE

(Aspergillus
niger) 		PF00723
(Glyco_hydro_15) 		5 GLY A 129
GLU A 130
GLY A 127
GLY A 120
GLY A 198
 None
 0.90A 1n2xB-3eqaA:
undetectable		 1n2xB-3eqaA:
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.
3god CAS1

(Pseudomonas
aeruginosa) 		PF01867
(Cas_Cas1) 		5 HIS A 248
GLY A 261
GLY A 260
VAL A 266
GLY A 245
 None
 0.91A 1n2xB-3godA:
undetectable		 1n2xB-3godA:
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.
3h5l PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Ruegeria
pomeroyi) 		PF13458
(Peripla_BP_6) 		5 GLY A 215
GLU A 218
GLY A 217
GLY A 220
GLY A 174
 None
 0.94A 1n2xB-3h5lA:
3.4		 1n2xB-3h5lA:
18.16
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.
3hut PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Rhodospirillum
rubrum) 		PF13458
(Peripla_BP_6) 		5 GLU A 200
GLY A 204
GLY A 203
VAL A 206
GLY A 163
 None
 0.88A 1n2xB-3hutA:
4.7		 1n2xB-3hutA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ifc FRUCTOSE-1,6-BISPHOS
PHATASE ISOZYME 2

(Homo sapiens) 		PF00316
(FBPase) 		5 GLY A 319
GLY A 260
GLY A 259
VAL A 324
ASN A 282
 None
 0.77A 1n2xB-3ifcA:
undetectable		 1n2xB-3ifcA:
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.
3k55 BETA-HEMOLYSIN

(Staphylococcus
aureus) 		PF03372
(Exo_endo_phos) 		5 GLU A  98
GLY A 100
GLY A 101
HIS A 150
ASP A 127
 None
 0.77A 1n2xB-3k55A:
undetectable		 1n2xB-3k55A:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ow2 50S RIBOSOMAL
PROTEIN L15P

(Haloarcula
marismortui) 		PF00828
(Ribosomal_L27A) 		5 GLU K 134
GLY K 138
GLY K 137
VAL K 140
GLY K 110
 None
None
None
None
A  0 698 ( 3.6A)
 0.94A 1n2xB-3ow2K:
undetectable		 1n2xB-3ow2K:
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.
3ozv FLAVOHEMOGLOBIN

(Cupriavidus
necator) 		no annotation 5 GLY B 369
GLY B 274
GLY B 275
GLY B 397
ASN B  80
 None
None
None
FAD  B 405 ( 4.4A)
None
 0.81A 1n2xB-3ozvB:
6.8		 1n2xB-3ozvB:
22.33
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.
3pr7 USPA1

(Moraxella
catarrhalis) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 GLY A 106
GLY A 120
GLY A 119
GLY A  75
ASN A  63
 None
 0.92A 1n2xB-3pr7A:
undetectable		 1n2xB-3pr7A:
20.24
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.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		6 HIS A 158
THR A 285
GLY A 282
GLU A 320
GLY A 321
HIS A 197
 Q9C  A 401 (-4.2A)
None
None
None
Q9C  A 401 (-3.6A)
ZN  A 343 (-3.4A)
 1.40A 1n2xB-3q9cA:
3.9		 1n2xB-3q9cA:
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.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 103
GLY A 105
GLY A 106
ASP A 126
VAL A 129
 DSH  A 303 (-3.5A)
None
None
None
DSH  A 303 (-4.5A)
 0.81A 1n2xB-3rw9A:
12.7		 1n2xB-3rw9A:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tc9 HYPOTHETICAL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF01833
(TIG) 		5 GLY A 183
GLY A 165
GLY A 164
VAL A 182
GLY A 204
 None
None
PO4  A 481 (-4.8A)
None
None
 0.88A 1n2xB-3tc9A:
undetectable		 1n2xB-3tc9A:
21.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tka RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H

(Escherichia
coli) 		PF01795
(Methyltransf_5) 		6 THR A  31
GLY A  33
GLY A  35
GLY A  36
HIS A  37
ASN A 213
 SAM  A 400 (-3.9A)
SAM  A 400 (-3.4A)
SAM  A 400 (-4.3A)
SAM  A 400 (-3.1A)
SAM  A 400 (-3.8A)
None
 1.48A 1n2xB-3tkaA:
33.1		 1n2xB-3tkaA:
39.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tka RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H

(Escherichia
coli) 		PF01795
(Methyltransf_5) 		7 THR A  31
GLY A  33
GLY A  35
GLY A  36
HIS A  37
ASP A  57
GLY A 103
 SAM  A 400 (-3.9A)
SAM  A 400 (-3.4A)
SAM  A 400 (-4.3A)
SAM  A 400 (-3.1A)
SAM  A 400 (-3.8A)
None
SAM  A 400 (-4.7A)
 0.50A 1n2xB-3tkaA:
33.1		 1n2xB-3tkaA:
39.72
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.
3wvo CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Thermobifida
fusca) 		PF09481
(CRISPR_Cse1) 		5 GLU A  70
GLY A  68
GLY A  67
ASP A 221
ASN A 295
 None
 0.96A 1n2xB-3wvoA:
undetectable		 1n2xB-3wvoA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zk4 DIPHOSPHONUCLEOTIDE
PHOSPHATASE 1

(Lupinus luteus) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		5 GLY A 271
GLY A 515
GLY A 516
HIS A 479
GLY A 345
 None
None
None
FE  A 800 ( 3.4A)
None
 0.81A 1n2xB-3zk4A:
undetectable		 1n2xB-3zk4A:
19.43
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.
4a35 MITOCHONDRIAL
ENOLASE SUPERFAMILY
MEMBER 1

(Homo sapiens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  28
GLY A  26
GLY A  25
ASP A  30
GLY A 362
 None
EDO  A1448 (-3.2A)
EDO  A1448 ( 4.9A)
None
None
 0.77A 1n2xB-4a35A:
undetectable		 1n2xB-4a35A:
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.
4b61 ALGINATE PRODUCTION
PROTEIN ALGE

(Pseudomonas
aeruginosa) 		PF13372
(Alginate_exp) 		5 GLY A 462
GLU A 368
GLY A 463
HIS A 480
GLY A  50
 78M  A1493 (-3.9A)
None
78M  A1493 (-3.7A)
78M  A1493 (-4.0A)
78M  A1499 ( 4.3A)
 0.95A 1n2xB-4b61A:
undetectable		 1n2xB-4b61A:
20.05
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.
4c7o SIGNAL RECOGNITION
PARTICLE PROTEIN

(Escherichia
coli) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 THR A 115
GLY A 112
GLY A 110
VAL A 220
GLY A 276
 GDP  A1003 (-3.5A)
GDP  A1003 (-3.2A)
GDP  A1003 ( 3.2A)
None
GDP  A1003 (-3.4A)
 0.95A 1n2xB-4c7oA:
2.6		 1n2xB-4c7oA:
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.
4e14 KYNURENINE
FORMAMIDASE

(Drosophila
melanogaster) 		PF07859
(Abhydrolase_3) 		5 GLY A 159
GLY A  87
GLY A  88
VAL A  85
TYR A 255
 SEB  A 157 ( 4.0A)
EDO  A 404 (-3.6A)
SEB  A 157 ( 3.5A)
None
None
 0.88A 1n2xB-4e14A:
2.8		 1n2xB-4e14A:
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.
4eps HYPOTHETICAL PROTEIN

(Bacteroides
ovatus) 		PF13149
(Mfa_like_1) 		5 GLY A 517
GLY A 519
GLY A 520
GLY A 459
ASN A 406
 None
GOL  A 615 ( 4.0A)
None
None
SO4  A 607 ( 4.6A)
 0.89A 1n2xB-4epsA:
undetectable		 1n2xB-4epsA:
19.69
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.
4inf METAL-DEPENDENT
HYDROLASE

(Novosphingobium
aromaticivorans) 		PF04909
(Amidohydro_2) 		5 THR A 216
GLY A 213
GLY A 211
GLY A 207
GLY A 240
 None
None
None
CL  A 402 ( 3.7A)
None
 0.76A 1n2xB-4infA:
undetectable		 1n2xB-4infA:
21.74
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.
4j30 PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF14113
(Tae4) 		5 GLY A  24
GLY A  28
GLY A  29
VAL A  23
GLY A  38
 ETX  A 205 (-4.8A)
ETX  A 205 (-3.3A)
ETX  A 205 (-4.0A)
None
None
 0.93A 1n2xB-4j30A:
undetectable		 1n2xB-4j30A:
19.14
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.
4j3q CATECHOL OXIDASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		5 GLY A 287
GLY A 285
GLY A 282
GLY A 146
ASN A 151
 None
 0.88A 1n2xB-4j3qA:
undetectable		 1n2xB-4j3qA:
18.11
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.
4jig DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 GLY A 140
GLY A 138
GLY A 137
GLY A 181
ASN A 188
 None
 0.95A 1n2xB-4jigA:
8.4		 1n2xB-4jigA:
21.97
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.
4ll9 LEUKOCYTE
IMMUNOGLOBULIN-LIKE
RECEPTOR SUBFAMILY B
MEMBER 1

(Homo sapiens) 		PF00047
(ig) 		5 GLY A  72
GLY A  73
VAL A  67
TYR A 178
GLY A  13
 None
 0.92A 1n2xB-4ll9A:
undetectable		 1n2xB-4ll9A:
21.21
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.
4lr2 BIS(5'-ADENOSYL)-TRI
PHOSPHATASE ENPP4

(Homo sapiens) 		PF01663
(Phosphodiest) 		6 HIS A 193
THR A 241
GLY A 334
GLY A 196
GLY A 192
GLY A 337
 ZN  A 506 ( 3.3A)
None
None
None
None
None
 1.33A 1n2xB-4lr2A:
undetectable		 1n2xB-4lr2A:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
ACETALDEHYDE
DEHYDROGENASE

(Thermomonospora
curvata;
Thermomonospora
curvata) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm)
PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		5 THR B 190
GLU B 168
GLY B 206
VAL B 170
GLY A  98
 None
 0.96A 1n2xB-4lrsB:
6.6		 1n2xB-4lrsB:
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.
4lxi MCP HYDROLASE

(Sphingomonas
wittichii) 		PF12697
(Abhydrolase_6) 		5 THR A 109
GLY A 107
GLY A  33
GLY A  34
VAL A  31
 None
None
22J  A 301 (-3.4A)
22J  A 301 (-3.7A)
None
 0.88A 1n2xB-4lxiA:
3.2		 1n2xB-4lxiA:
19.81
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.
4ncn EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5B-LIKE PROTEIN

(Chaetomium
thermophilum) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		5 THR A 537
GLY A 535
GLY A 530
GLY A 555
ASN A 547
 MG  A1002 ( 3.1A)
GTP  A1001 (-3.1A)
None
NA  A1003 ( 4.6A)
GOL  A1006 (-3.8A)
 0.92A 1n2xB-4ncnA:
undetectable		 1n2xB-4ncnA:
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.
4q4g PEPTIDOGLYCAN
ENDOPEPTIDASE RIPA

(Mycobacterium
tuberculosis) 		PF00877
(NLPC_P60) 		5 THR X1116
GLY X1118
GLY X1100
GLY X1099
GLY X1187
 None
 0.89A 1n2xB-4q4gX:
undetectable		 1n2xB-4q4gX:
21.40
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.
4rep GAMMA-CAROTENE
DESATURASE

(Nonlabens
dokdonensis) 		PF01593
(Amino_oxidase) 		5 GLY A 461
GLY A 467
GLY A 468
VAL A 463
GLY A  13
 FAD  A 501 (-3.8A)
FAD  A 501 ( 4.1A)
FAD  A 501 (-3.2A)
None
None
 0.88A 1n2xB-4repA:
3.9		 1n2xB-4repA:
21.44
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.
4rgy ESTERASE

(uncultured
bacterium FLS12) 		PF00756
(Esterase) 		5 GLY A 150
GLY A 128
GLY A 123
ASP A 220
GLY A 212
 None
 0.91A 1n2xB-4rgyA:
2.2		 1n2xB-4rgyA:
24.37
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.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLY A 126
GLY A 128
GLY A 129
HIS A 103
ASP A 149
VAL A 152
 MTA  A 401 ( 4.5A)
None
None
None
None
MTA  A 401 (-4.3A)
 1.43A 1n2xB-4uoeA:
13.1		 1n2xB-4uoeA:
23.94
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.
4xwl EXOGLUCANASE S

(Clostridium
cellulovorans) 		PF02011
(Glyco_hydro_48) 		5 GLY A 314
GLY A 364
ASP A 222
GLY A 405
ASN A 494
 None
 0.90A 1n2xB-4xwlA:
undetectable		 1n2xB-4xwlA:
17.47
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.
4yjy CHALCONE SYNTHASE 1

(Oryza sativa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 375
GLY A 171
GLY A 170
VAL A 382
GLY A 308
 None
 0.95A 1n2xB-4yjyA:
undetectable		 1n2xB-4yjyA:
23.17
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.
4yv2 SPERMIDINE SYNTHASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  97
GLY A  99
GLY A 100
ASP A 120
VAL A 123
 S4M  A 301 ( 4.5A)
None
None
None
S4M  A 301 (-4.3A)
 0.68A 1n2xB-4yv2A:
13.4		 1n2xB-4yv2A:
22.51
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.
5c2z EXFOLIATIVE TOXIN D2

(Staphylococcus
aureus) 		PF00089
(Trypsin) 		5 THR A  72
GLY A  83
GLY A 220
VAL A  91
GLY A 113
 None
 0.96A 1n2xB-5c2zA:
undetectable		 1n2xB-5c2zA:
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.
5cfa BONE
SIALOPROTEIN-BINDING
PROTEIN

(Staphylococcus
aureus) 		PF10425
(SdrG_C_C) 		5 GLY A 320
GLY A 321
GLY A 322
ASP A 318
GLY A  85
 None
 0.88A 1n2xB-5cfaA:
undetectable		 1n2xB-5cfaA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g0q BETA-GLUCURONIDASE

(Acidobacterium
capsulatum) 		PF03662
(Glyco_hydro_79n) 		6 GLY A 103
GLY A 329
GLY A 328
HIS A 327
TYR A  84
GLY A 107
 None
None
None
IF6  A1476 (-4.2A)
None
None
 1.25A 1n2xB-5g0qA:
undetectable		 1n2xB-5g0qA:
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.
5l3q SIGNAL RECOGNITION
PARTICLE RECEPTOR
SUBUNIT ALPHA

(Homo sapiens) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 THR B 433
GLY B 430
GLY B 428
VAL B 550
GLY B 617
 GNP  B 705 (-3.6A)
GNP  B 705 (-3.1A)
GNP  B 705 (-3.4A)
None
GNP  B 705 (-3.3A)
 0.96A 1n2xB-5l3qB:
3.6		 1n2xB-5l3qB:
18.99
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.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT

(Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B) 		5 GLY A 585
GLY A 473
HIS A 472
GLY A 582
ASN A 501
 None
None
None
None
K  A 703 (-3.4A)
 0.90A 1n2xB-5l9wA:
undetectable		 1n2xB-5l9wA:
18.97
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.
5lnk MITOCHONDRIAL
COMPLEX I, ND5
SUBUNIT

(Ovis aries) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N)
PF06455
(NADH5_C) 		5 GLY L 148
GLU L 145
GLY L 146
GLY L 143
GLY L 222
 None
None
CDL  L 601 ( 4.6A)
None
None
 0.94A 1n2xB-5lnkL:
undetectable		 1n2xB-5lnkL:
18.91
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.
5nck N-ACETYLMANNOSAMINE
KINASE

(Fusobacterium
nucleatum) 		PF00480
(ROK) 		5 GLY A 133
GLY A 235
GLY A 234
GLY A 158
ASN A  79
 None
 0.96A 1n2xB-5nckA:
undetectable		 1n2xB-5nckA:
24.77
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.
5or4 CATECHOL OXIDASE

(Aspergillus
oryzae) 		no annotation 5 GLY A 287
GLY A 285
GLY A 282
GLY A 146
ASN A 151
 None
 0.84A 1n2xB-5or4A:
undetectable		 1n2xB-5or4A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 THR A 151
GLY A 125
GLY A 126
VAL A 223
GLY A 210
 None
None
FAD  A 601 (-3.4A)
None
None
 0.85A 1n2xB-5u25A:
undetectable		 1n2xB-5u25A:
20.43
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.
5uco 2,4,6-TRIHYDROXYBENZ
OPHENONE SYNTHASE

(Hypericum
androsaemum) 		no annotation 5 GLY A 376
GLY A 171
GLY A 170
VAL A 383
GLY A 309
 None
 0.94A 1n2xB-5ucoA:
undetectable		 1n2xB-5ucoA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5udy ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 7

(Homo sapiens) 		PF01663
(Phosphodiest) 		6 HIS A 203
GLY A 351
GLY A 206
GLY A 202
VAL A 252
GLY A 354
 ZN  A 502 (-3.3A)
None
None
None
None
IOD  A 532 ( 4.3A)
 1.41A 1n2xB-5udyA:
undetectable		 1n2xB-5udyA:
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.
5udy ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 7

(Homo sapiens) 		PF01663
(Phosphodiest) 		6 HIS A 203
THR A 250
GLY A 351
GLY A 206
GLY A 202
GLY A 354
 ZN  A 502 (-3.3A)
None
None
None
None
IOD  A 532 ( 4.3A)
 1.23A 1n2xB-5udyA:
undetectable		 1n2xB-5udyA:
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.
5ukp DH522.1 FAB FRAGMENT
HEAVY CHAIN

(Macaca mulatta) 		no annotation 5 GLY H  52
GLY H  55
GLY H  56
ASP H  31
GLY H  95
 None
 0.80A 1n2xB-5ukpH:
undetectable		 1n2xB-5ukpH:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vem ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5

(Homo sapiens) 		PF01663
(Phosphodiest) 		6 HIS A 195
THR A 242
GLY A 337
GLY A 198
GLY A 194
GLY A 340
 ZN  A 502 (-3.2A)
None
None
None
None
None
 1.27A 1n2xB-5vemA:
undetectable		 1n2xB-5vemA:
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.
5yj6 DOCKERIN TYPE I
REPEAT-CONTAINING
PROTEIN

(Ruminiclostridium
thermocellum) 		no annotation 5 GLY A 350
GLY A 400
ASP A 255
GLY A 441
ASN A 529
 None
 0.89A 1n2xB-5yj6A:
undetectable		 1n2xB-5yj6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum) 		no annotation 5 GLY A 139
GLU A 140
GLY A 137
GLY A 130
GLY A 208
 None
 0.93A 1n2xB-6fhvA:
undetectable		 1n2xB-6fhvA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 5 GLY A 134
GLU A 135
GLY A 132
GLY A 124
GLY A 203
 None
 0.84A 1n2xB-6fhwA:
undetectable		 1n2xB-6fhwA:
undetectable