SIMILAR PATTERNS OF AMINO ACIDS FOR 3B7P_C_SPMC503

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.
1a5l UREASE (ALPHA
SUBUNIT)
UREASE (BETA
SUBUNIT)

(Klebsiella
aerogenes) 		PF00449
(Urease_alpha)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 TYR C  39
ASP C  19
SER C   5
TYR C   9
ILE B  13
 None
 1.00A 3b7pC-1a5lC:
undetectable		 3b7pC-1a5lC:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e5d RUBREDOXIN:OXYGEN
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		5 TYR A 193
HIS A 226
ASP A  83
ASP A 165
SER A 299
 None
FEO  A 404 ( 3.2A)
FEO  A 404 (-2.2A)
FEO  A 404 ( 2.3A)
None
 1.37A 3b7pC-1e5dA:
undetectable		 3b7pC-1e5dA:
22.20
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.
1e9y UREASE SUBUNIT ALPHA
UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 TYR B  39
ASP B  19
SER B   5
TYR B   9
ILE A 118
 None
 1.07A 3b7pC-1e9yB:
undetectable		 3b7pC-1e9yB:
18.65
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.
1e9y UREASE SUBUNIT ALPHA
UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 TYR B  39
ASP B  35
SER B   5
TYR B   9
ILE A 118
 None
 1.43A 3b7pC-1e9yB:
undetectable		 3b7pC-1e9yB:
18.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1inl SPERMIDINE SYNTHASE

(Thermotoga
maritima) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		7 TYR A  76
HIS A  77
ASP A 101
ASP A 170
GLU A 206
TYR A 239
PRO A 240
 None
 0.54A 3b7pC-1inlA:
38.5		 3b7pC-1inlA:
37.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1iy9 SPERMIDINE SYNTHASE

(Bacillus
subtilis) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLN A 189
HIS A  63
TYR A 224
PRO A 225
ILE A 221
 None
 1.42A 3b7pC-1iy9A:
37.2		 3b7pC-1iy9A:
39.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1iy9 SPERMIDINE SYNTHASE

(Bacillus
subtilis) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 HIS A  63
ASP A  87
TYR A 224
PRO A 225
ILE A 221
 None
 1.42A 3b7pC-1iy9A:
37.2		 3b7pC-1iy9A:
39.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1iy9 SPERMIDINE SYNTHASE

(Bacillus
subtilis) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 TYR A  62
HIS A  63
ASP A  87
TYR A 224
PRO A 225
 None
 0.42A 3b7pC-1iy9A:
37.2		 3b7pC-1iy9A:
39.08
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.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		5 TRP A 444
HIS A 498
SER A 376
TYR A 380
ILE A 374
 None
 1.44A 3b7pC-1lnsA:
undetectable		 3b7pC-1lnsA:
17.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		8 GLN A  51
TYR A  60
HIS A  61
ASP A  85
ASP A 158
ASP A 161
SER A 194
TYR A 226
 None
 0.58A 3b7pC-1mjfA:
36.8		 3b7pC-1mjfA:
35.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 TYR A  60
HIS A  61
ASP A  85
ASP A 158
SER A 220
 None
 1.49A 3b7pC-1mjfA:
36.8		 3b7pC-1mjfA:
35.79
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.
1r5m SIR4-INTERACTING
PROTEIN SIF2

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 GLN A 501
TYR A 525
ASP A 505
ASP A 463
ILE A 509
 None
 1.48A 3b7pC-1r5mA:
undetectable		 3b7pC-1r5mA:
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.
1tye INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		5 TYR B 289
HIS B 255
ASP B 217
ASP B 158
ILE B 265
 None
None
CA  B1403 ( 2.8A)
CA  B1403 (-3.0A)
None
 1.32A 3b7pC-1tyeB:
undetectable		 3b7pC-1tyeB:
18.06
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.
1vj7 BIFUNCTIONAL
RELA/SPOT

(Streptococcus
dysgalactiae) 		PF04607
(RelA_SpoT)
PF13328
(HD_4) 		5 HIS A  53
ASP A  78
ASP A 144
GLU A 166
ILE A 163
 MN  A 997 (-3.3A)
MN  A 997 ( 3.9A)
MN  A 997 (-2.5A)
None
None
 1.07A 3b7pC-1vj7A:
undetectable		 3b7pC-1vj7A:
21.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		11 TRP A  55
GLN A  97
TYR A 106
ASP A 131
ASP A 201
ASP A 204
GLU A 236
SER A 237
TYR A 270
PRO A 271
ILE A 275
 None
 0.71A 3b7pC-1xj5A:
43.0		 3b7pC-1xj5A:
46.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2b2c SPERMIDINE SYNTHASE

(Caenorhabditis
elegans) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 TRP A  43
ASP A 119
ASP A 188
GLU A 223
SER A 224
PRO A 257
 None
 0.91A 3b7pC-2b2cA:
38.4		 3b7pC-2b2cA:
45.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2b2c SPERMIDINE SYNTHASE

(Caenorhabditis
elegans) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 TRP A  43
TYR A  94
ASP A 188
SER A 224
PRO A 257
 None
 1.03A 3b7pC-2b2cA:
38.4		 3b7pC-2b2cA:
45.86
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.
2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII

(Bacillus
anthracis) 		PF02568
(ThiI)
PF02926
(THUMP) 		5 TYR A 233
ASP A  68
GLU A 330
TYR A 195
ILE A 331
 None
 1.42A 3b7pC-2c5sA:
2.5		 3b7pC-2c5sA:
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.
2pce PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLN A 275
ASP A 255
ASP A 247
GLU A 248
ILE A  58
 None
 1.42A 3b7pC-2pceA:
undetectable		 3b7pC-2pceA:
18.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 HIS A 103
ASP A 196
TYR A 264
PRO A 265
ILE A 261
 S4M  A 501 (-3.7A)
S4M  A 501 (-2.6A)
None
None
None
 1.32A 3b7pC-2pt6A:
49.6		 3b7pC-2pt6A:
93.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		12 TRP A  51
GLN A  93
TYR A 102
HIS A 103
ASP A 127
ASP A 196
ASP A 199
GLU A 231
SER A 232
TYR A 264
PRO A 265
ILE A 269
 None
S4M  A 501 (-4.1A)
S4M  A 501 (-4.9A)
S4M  A 501 (-3.7A)
S4M  A 501 (-2.9A)
S4M  A 501 (-2.6A)
None
None
None
None
None
None
 0.27A 3b7pC-2pt6A:
49.6		 3b7pC-2pt6A:
93.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 TYR A 102
HIS A 103
ASP A 127
ASP A 196
ILE A 259
 S4M  A 501 (-4.9A)
S4M  A 501 (-3.7A)
S4M  A 501 (-2.9A)
S4M  A 501 (-2.6A)
None
 1.38A 3b7pC-2pt6A:
49.6		 3b7pC-2pt6A:
93.09
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.
2xsg CCMAN5

(Cellulosimicrobium
cellulans) 		PF07971
(Glyco_hydro_92) 		5 TYR A 545
ASP A 464
ASP A 355
GLU A 589
ILE A 590
 None
None
B3P  A1773 (-2.8A)
CA  A1772 (-2.9A)
None
 1.23A 3b7pC-2xsgA:
undetectable		 3b7pC-2xsgA:
14.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 ASP A  87
ASP A 161
ASP A 164
GLU A 204
SER A 197
 AG3  A1001 (-3.0A)
AG3  A1001 (-2.8A)
AG3  A1001 (-3.0A)
None
None
 1.20A 3b7pC-2zsuA:
37.8		 3b7pC-2zsuA:
36.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		8 GLN A  53
TYR A  62
HIS A  63
ASP A  87
ASP A 161
ASP A 164
SER A 197
TYR A 229
 AG3  A1001 (-3.2A)
AG3  A1001 (-4.5A)
AG3  A1001 (-4.0A)
AG3  A1001 (-3.0A)
AG3  A1001 (-2.8A)
AG3  A1001 (-3.0A)
None
AG3  A1001 (-3.7A)
 0.60A 3b7pC-2zsuA:
37.8		 3b7pC-2zsuA:
36.39
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.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 TYR A 177
ASP A 201
ASP A 276
ASP A 167
TYR A 351
 SPM  A 501 (-4.2A)
SPM  A 501 ( 3.8A)
SPM  A 501 ( 3.2A)
SPM  A 501 (-3.1A)
SPM  A 501 (-3.5A)
 1.05A 3b7pC-3c6mA:
25.5		 3b7pC-3c6mA:
20.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o4f SPERMIDINE SYNTHASE

(Escherichia
coli) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLN A  54
TYR A  63
HIS A  64
ASP A  88
TYR A 226
 None
 0.67A 3b7pC-3o4fA:
34.1		 3b7pC-3o4fA:
37.70
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.
3pz9 MANNAN
ENDO-1,4-BETA-MANNOS
IDASE. GLYCOSYL
HYDROLASE FAMILY 5

(Thermotoga
petrophila) 		PF00150
(Cellulase) 		5 TYR A 184
HIS A 175
ASP A 113
PRO A 188
ILE A 190
 None
 1.40A 3b7pC-3pz9A:
undetectable		 3b7pC-3pz9A:
24.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLN A  70
ASP A 104
TYR A 241
PRO A 242
ILE A 238
 DSH  A 303 (-4.1A)
DSH  A 303 (-3.3A)
None
None
None
 1.48A 3b7pC-3rw9A:
42.6		 3b7pC-3rw9A:
42.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLN A 206
ASP A 173
TYR A 241
PRO A 242
ILE A 238
 None
DSH  A 303 (-3.0A)
None
None
None
 1.41A 3b7pC-3rw9A:
42.6		 3b7pC-3rw9A:
42.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		8 TRP A  28
GLN A  70
TYR A  79
ASP A 104
ASP A 173
TYR A 241
PRO A 242
ILE A 246
 None
DSH  A 303 (-4.1A)
DSH  A 303 ( 4.9A)
DSH  A 303 (-3.3A)
DSH  A 303 (-3.0A)
None
None
None
 0.50A 3b7pC-3rw9A:
42.6		 3b7pC-3rw9A:
42.90
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.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 HIS A 150
ASP A 204
GLU A 400
PRO A 343
ILE A  21
 None
 1.41A 3b7pC-3t3oA:
2.3		 3b7pC-3t3oA:
18.87
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.
3v4v INTEGRIN BETA-7

(Homo sapiens) 		PF00362
(Integrin_beta) 		5 TYR B 308
HIS B 274
ASP B 237
ASP B 179
ILE B 284
 None
None
CA  B2003 ( 3.6A)
CA  B2003 (-3.8A)
None
 1.23A 3b7pC-3v4vB:
undetectable		 3b7pC-3v4vB:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius) 		no annotation 5 TYR A 264
ASP A 223
SER A 486
TYR A 488
ILE A 267
 None
 1.08A 3b7pC-4aw7A:
undetectable		 3b7pC-4aw7A:
18.78
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.
4eba MRNA
3'-END-PROCESSING
PROTEIN RNA14

(Kluyveromyces
lactis) 		PF05843
(Suf) 		5 TYR A 419
ASP A 388
SER A 435
TYR A 422
ILE A 438
 None
 1.40A 3b7pC-4ebaA:
undetectable		 3b7pC-4ebaA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mb5 CHITINASE 60

(Moritella
marina) 		PF00704
(Glyco_hydro_18)
PF16403
(DUF5011) 		5 TYR A 177
HIS A 176
ASP A 141
SER A  27
ILE A  25
 None
 1.42A 3b7pC-4mb5A:
undetectable		 3b7pC-4mb5A:
19.29
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.
4s1b LMO1466 PROTEIN

(Listeria
monocytogenes) 		PF01966
(HD) 		5 HIS A 604
ASP A 648
ASP A 544
SER A 573
ILE A 577
 FE  A 801 (-3.5A)
FE  A 802 ( 2.6A)
FE  A 802 (-2.7A)
None
2BA  A 803 (-3.9A)
 1.32A 3b7pC-4s1bA:
undetectable		 3b7pC-4s1bA:
21.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLN A 229
ASP A 196
TYR A 264
PRO A 265
ILE A 261
 4ZY  A 501 (-4.2A)
4ZY  A 501 ( 3.6A)
4ZY  A 501 (-3.4A)
None
None
 1.43A 3b7pC-4uoeA:
49.9		 3b7pC-4uoeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 HIS A 103
ASP A 196
TYR A 264
PRO A 265
ILE A 261
 None
4ZY  A 501 ( 3.6A)
4ZY  A 501 (-3.4A)
None
None
 1.34A 3b7pC-4uoeA:
49.9		 3b7pC-4uoeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		12 TRP A  51
GLN A  93
TYR A 102
HIS A 103
ASP A 127
ASP A 196
ASP A 199
GLU A 231
SER A 232
TYR A 264
PRO A 265
ILE A 269
 None
4ZY  A 501 ( 3.6A)
4ZY  A 501 (-4.3A)
None
MTA  A 401 (-4.3A)
4ZY  A 501 ( 3.6A)
4ZY  A 501 (-2.5A)
4ZY  A 501 ( 4.7A)
None
4ZY  A 501 (-3.4A)
None
4ZY  A 501 ( 4.7A)
 0.23A 3b7pC-4uoeA:
49.9		 3b7pC-4uoeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 TYR A 102
HIS A 103
ASP A 127
ASP A 196
ILE A 259
 4ZY  A 501 (-4.3A)
None
MTA  A 401 (-4.3A)
4ZY  A 501 ( 3.6A)
None
 1.42A 3b7pC-4uoeA:
49.9		 3b7pC-4uoeA:
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.
4w5z CHITINASE 60

(Moritella
marina) 		PF00704
(Glyco_hydro_18) 		5 TYR A 177
HIS A 176
ASP A 141
SER A  27
ILE A  25
 None
 1.46A 3b7pC-4w5zA:
undetectable		 3b7pC-4w5zA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x8d SULFOXIDE SYNTHASE
EGTB

(Mycolicibacterium
thermoresistibile) 		PF03781
(FGE-sulfatase)
PF12867
(DinB_2) 		5 TRP A 361
GLN A 422
ASP A  39
ASP A 416
ILE A 419
 None
None
None
3GC  A 501 (-2.8A)
CL  A 512 ( 4.1A)
 1.17A 3b7pC-4x8dA:
undetectable		 3b7pC-4x8dA:
19.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yv2 SPERMIDINE SYNTHASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		10 GLN A  64
TYR A  73
HIS A  74
ASP A  98
ASP A 168
GLU A 203
SER A 204
TYR A 237
PRO A 238
ILE A 242
 S4M  A 301 (-4.2A)
S4M  A 301 (-4.4A)
S4M  A 301 (-4.0A)
S4M  A 301 (-3.1A)
S4M  A 301 (-3.1A)
None
None
None
None
None
 0.63A 3b7pC-4yv2A:
38.3		 3b7pC-4yv2A:
42.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yv2 SPERMIDINE SYNTHASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLN A 201
HIS A  74
ASP A 168
TYR A 237
PRO A 238
 None
S4M  A 301 (-4.0A)
S4M  A 301 (-3.1A)
None
None
 1.29A 3b7pC-4yv2A:
38.3		 3b7pC-4yv2A:
42.18
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.
4z42 UREASE SUBUNIT ALPHA
UREASE SUBUNIT BETA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 TYR C  39
ASP C  19
SER C   5
TYR C   9
ILE B  47
 None
 0.94A 3b7pC-4z42C:
undetectable		 3b7pC-4z42C:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z42 UREASE SUBUNIT ALPHA
UREASE SUBUNIT BETA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 TYR C  39
ASP C  35
SER C   5
TYR C   9
ILE B  47
 None
 1.21A 3b7pC-4z42C:
undetectable		 3b7pC-4z42C:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ay9 4-O-BETA-D-MANNOSYL-
D-GLUCOSE
PHOSPHORYLASE

(Ruminococcus
albus) 		PF04041
(Glyco_hydro_130) 		5 TYR A 141
ASP A 137
ASP A 227
PRO A 177
ILE A 164
 None
 1.25A 3b7pC-5ay9A:
2.2		 3b7pC-5ay9A:
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.
5dyn PUTATIVE PEPTIDASE

(Bacteroides
fragilis) 		PF03415
(Peptidase_C11) 		5 TYR B 233
ASP A  52
ASP B 178
SER B 337
TYR B 237
 None
NA  A 403 (-3.1A)
None
None
None
 1.43A 3b7pC-5dynB:
undetectable		 3b7pC-5dynB:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e6s INTEGRIN BETA-2

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		5 TYR B 279
HIS B 246
ASP B 209
ASP B 151
ILE B 256
 None
None
CA  B2003 (-3.0A)
CA  B2003 (-3.4A)
None
 1.27A 3b7pC-5e6sB:
undetectable		 3b7pC-5e6sB:
18.73
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.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 TYR A 208
HIS A 209
ASP A 216
SER A 701
TYR A 506
 None
 1.39A 3b7pC-5favA:
undetectable		 3b7pC-5favA:
16.25
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.
5me4 PROBABLE PHOSPHITE
TRANSPORT
SYSTEM-BINDING
PROTEIN HTXB

(Pseudomonas
stutzeri) 		no annotation 5 TRP A  68
TYR A  44
ASP A  38
SER A  48
ILE A  46
 None
 1.38A 3b7pC-5me4A:
undetectable		 3b7pC-5me4A:
22.15
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.
5n5p PUTATIVE
CELLULOSOMAL
SCAFFOLDIN PROTEIN

(Ruminococcus
flavefaciens) 		no annotation 5 GLN A 808
SER A 794
TYR A 810
PRO A 803
ILE A 829
 None
 1.19A 3b7pC-5n5pA:
undetectable		 3b7pC-5n5pA:
16.47
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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 5 GLN A  75
TYR A  84
HIS A  85
ASP A 178
TYR A 251
 TER  A 402 ( 4.9A)
TER  A 402 (-4.6A)
None
TER  A 402 (-4.1A)
TER  A 402 (-3.4A)
 0.63A 3b7pC-6bq6A:
35.6		 3b7pC-6bq6A:
18.42
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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 5 GLN A 214
HIS A  85
ASP A 178
TYR A 251
ILE A 248
 TER  A 402 ( 3.7A)
None
TER  A 402 (-4.1A)
TER  A 402 (-3.4A)
None
 1.28A 3b7pC-6bq6A:
35.6		 3b7pC-6bq6A:
18.42
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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 5 TYR A  84
HIS A  85
ASP A 178
ASP A 181
TYR A 251
 TER  A 402 (-4.6A)
None
TER  A 402 (-4.1A)
None
TER  A 402 (-3.4A)
 1.00A 3b7pC-6bq6A:
35.6		 3b7pC-6bq6A:
18.42
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.
6ehr RAS-RELATED
GTP-BINDING PROTEIN
A
RAS-RELATED
GTP-BINDING PROTEIN
C

(Homo sapiens) 		PF04670
(Gtr1_RagA) 		5 GLN F 218
TYR G 299
ASP F 201
SER F 232
ILE F 231
 None
 1.47A 3b7pC-6ehrF:
undetectable		 3b7pC-6ehrF:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f5o POLYMERASE ACIDIC
PROTEIN

(Influenza B
virus) 		no annotation 5 HIS A  41
ASP A 109
SER A 155
TYR A 131
ILE A 147
 None
 1.40A 3b7pC-6f5oA:
undetectable		 3b7pC-6f5oA:
12.46