SIMILAR PATTERNS OF AMINO ACIDS FOR 1S9A_B_BEZB307

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dlm CATECHOL
1,2-DIOXYGENASE

(Acinetobacter
sp. ADP1) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		6 ASP A  81
TYR A 200
ARG A 221
HIS A 224
HIS A 226
GLN A 240
 None
FE  A 400 (-4.4A)
FE  A 400 ( 4.7A)
FE  A 400 (-3.4A)
FE  A 400 (-3.1A)
None
 1.07A 1s9aB-1dlmA:
27.4		 1s9aB-1dlmA:
30.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dlm CATECHOL
1,2-DIOXYGENASE

(Acinetobacter
sp. ADP1) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		10 LEU A  73
ILE A 105
GLY A 107
PRO A 108
TYR A 164
TYR A 200
ARG A 221
HIS A 224
HIS A 226
GLN A 240
 None
None
None
None
FE  A 400 (-4.1A)
FE  A 400 (-4.4A)
FE  A 400 ( 4.7A)
FE  A 400 (-3.4A)
FE  A 400 (-3.1A)
None
 0.80A 1s9aB-1dlmA:
27.4		 1s9aB-1dlmA:
30.48
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.
1eo9 PROTOCATECHUATE
3,4-DIOXYGENASE BETA
CHAIN


(Acinetobacter
sp. ADP1) 		PF00775
(Dioxygenase_C)
PF12391
(PCDO_beta_N) 		5 ILE B 491
TYR B 408
HIS B 460
HIS B 462
GLN B 477
 None
FE  B 600 ( 4.1A)
FE  B 600 ( 3.4A)
FE  B 600 ( 3.4A)
SO4  B 999 (-3.6A)
 1.48A 1s9aB-1eo9B:
13.2		 1s9aB-1eo9B:
27.82
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.
1eo9 PROTOCATECHUATE
3,4-DIOXYGENASE BETA
CHAIN


(Acinetobacter
sp. ADP1) 		PF00775
(Dioxygenase_C)
PF12391
(PCDO_beta_N) 		7 TYR B 408
TYR B 447
ARG B 457
HIS B 460
HIS B 462
GLN B 477
CYH B 489
 FE  B 600 ( 4.1A)
FE  B 600 ( 4.6A)
SO4  B 999 (-4.0A)
FE  B 600 ( 3.4A)
FE  B 600 ( 3.4A)
SO4  B 999 (-3.6A)
None
 1.42A 1s9aB-1eo9B:
13.2		 1s9aB-1eo9B:
27.82
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.
1jhw MACROPHAGE CAPPING
PROTEIN

(Homo sapiens) 		PF00626
(Gelsolin) 		5 LEU A  88
ASP A  85
PRO A  92
HIS A  62
HIS A  95
 None
 1.29A 1s9aB-1jhwA:
undetectable		 1s9aB-1jhwA:
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.
1ri3 MRNA CAPPING ENZYME

(Encephalitozoon
cuniculi) 		PF03291
(Pox_MCEL) 		5 LEU A  71
ASP A  94
ILE A 100
GLY A  74
TYR A  90
 None
SAH  A 299 (-2.9A)
None
SAH  A 299 (-3.5A)
None
 1.41A 1s9aB-1ri3A:
undetectable		 1s9aB-1ri3A:
19.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s9a CHLOROCATECHOL
1,2-DIOXYGENASE

(Rhodococcus
opacus) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		12 LEU A  49
ASP A  52
ILE A  74
GLY A  76
PRO A  77
TYR A 134
TYR A 169
ARG A 191
HIS A 194
HIS A 196
GLN A 210
CYH A 224
 BEZ  A 306 (-4.5A)
TAM  A 305 ( 2.7A)
None
BEZ  A 306 ( 3.5A)
TAM  A 305 ( 4.4A)
FE  A 300 ( 4.3A)
FE  A 300 ( 4.5A)
BEZ  A 306 (-3.8A)
FE  A 300 ( 3.2A)
FE  A 300 ( 3.4A)
BEZ  A 306 ( 4.0A)
BEZ  A 306 (-3.5A)
 0.25A 1s9aB-1s9aA:
36.3		 1s9aB-1s9aA:
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.
1tmx HYDROXYQUINOL
1,2-DIOXYGENASE

(Pimelobacter
simplex) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 ASP A  83
TYR A 164
TYR A 197
HIS A 221
HIS A 223
 BEZ  A 881 (-3.8A)
FE  A 861 (-4.2A)
FE  A 861 ( 4.4A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
 0.83A 1s9aB-1tmxA:
28.8		 1s9aB-1tmxA:
30.00
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.
1tmx HYDROXYQUINOL
1,2-DIOXYGENASE

(Pimelobacter
simplex) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		7 GLY A 109
PRO A 110
TYR A 164
TYR A 197
ARG A 218
HIS A 221
HIS A 223
 BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.3A)
FE  A 861 (-4.2A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-3.8A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
 0.31A 1s9aB-1tmxA:
28.8		 1s9aB-1tmxA:
30.00
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.
1tmx HYDROXYQUINOL
1,2-DIOXYGENASE

(Pimelobacter
simplex) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		6 LEU A  80
GLY A 109
TYR A 197
ARG A 218
HIS A 221
HIS A 223
 None
BEZ  A 881 (-3.5A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-3.8A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
 0.87A 1s9aB-1tmxA:
28.8		 1s9aB-1tmxA:
30.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2azq CATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		10 LEU A  72
ILE A 104
GLY A 106
PRO A 107
TYR A 162
TYR A 196
ARG A 217
HIS A 220
HIS A 222
GLN A 236
 None
None
None
None
FE  A 400 (-4.1A)
FE  A 400 (-4.4A)
FE  A 400 (-4.2A)
FE  A 400 (-3.6A)
FE  A 400 (-3.2A)
None
 0.50A 1s9aB-2azqA:
27.5		 1s9aB-2azqA:
32.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2boy 3-CHLOROCATECHOL
1,2-DIOXYGENASE

(Rhodococcus
opacus) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		11 LEU A  49
ASP A  52
ILE A  74
GLY A  76
PRO A  77
TYR A 133
TYR A 167
ARG A 188
HIS A 191
HIS A 193
GLN A 207
 None
None
None
BHO  A1256 ( 3.7A)
BHO  A1256 (-4.6A)
FE  A1255 ( 4.2A)
FE  A1255 ( 4.3A)
BHO  A1256 (-3.4A)
FE  A1255 ( 3.2A)
FE  A1255 ( 3.4A)
BHO  A1256 (-3.6A)
 0.27A 1s9aB-2boyA:
32.2		 1s9aB-2boyA:
41.25
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.
2f00 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A  51
ASP A  50
ILE A  27
GLY A  26
HIS A  23
 None
 1.17A 1s9aB-2f00A:
undetectable		 1s9aB-2f00A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2px5 GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)]

(Murray Valley
encephalitis
virus) 		PF01728
(FtsJ) 		5 LEU A 143
ILE A 139
GLY A 175
PRO A 176
ARG A 174
 None
 1.42A 1s9aB-2px5A:
undetectable		 1s9aB-2px5A:
21.48
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.
2xsr CATECHOL 1,2
DIOXYGENASE

(Acinetobacter
radioresistens) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		8 ILE A 101
GLY A 103
PRO A 104
TYR A 161
TYR A 195
ARG A 216
HIS A 219
HIS A 221
 None
None
None
FE  A1307 (-4.3A)
None
FE  A1307 ( 4.7A)
FE  A1307 (-3.3A)
FE  A1307 (-3.2A)
 0.48A 1s9aB-2xsrA:
27.7		 1s9aB-2xsrA:
27.99
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.
2xsr CATECHOL 1,2
DIOXYGENASE

(Acinetobacter
radioresistens) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		7 ILE A 101
GLY A 103
TYR A 195
ARG A 216
HIS A 219
HIS A 221
GLN A 235
 None
None
None
FE  A1307 ( 4.7A)
FE  A1307 (-3.3A)
FE  A1307 (-3.2A)
None
 0.92A 1s9aB-2xsrA:
27.7		 1s9aB-2xsrA:
27.99
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.
2xsr CATECHOL 1,2
DIOXYGENASE

(Acinetobacter
radioresistens) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		8 LEU A  69
ILE A 101
GLY A 103
PRO A 104
TYR A 161
TYR A 195
HIS A 219
HIS A 221
 None
None
None
None
FE  A1307 (-4.3A)
None
FE  A1307 (-3.3A)
FE  A1307 (-3.2A)
 0.47A 1s9aB-2xsrA:
27.7		 1s9aB-2xsrA:
27.99
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.
2xsr CATECHOL 1,2
DIOXYGENASE

(Acinetobacter
radioresistens) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		7 LEU A  69
ILE A 101
GLY A 103
TYR A 195
HIS A 219
HIS A 221
GLN A 235
 None
None
None
None
FE  A1307 (-3.3A)
FE  A1307 (-3.2A)
None
 0.87A 1s9aB-2xsrA:
27.7		 1s9aB-2xsrA:
27.99
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.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		5 LEU A 278
ILE A 237
GLY A 273
TYR A 309
ARG A 274
 None
 1.12A 1s9aB-3b1rA:
undetectable		 1s9aB-3b1rA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eja PROTEIN GH61E

(Thielavia
terrestris) 		PF03443
(Glyco_hydro_61) 		5 ASP A  24
GLY A  26
TYR A   2
TYR A  67
GLN A 151
 None
None
None
None
SO4  A4851 (-3.2A)
 1.11A 1s9aB-3ejaA:
undetectable		 1s9aB-3ejaA:
23.65
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.
3eni BACTERIOCHLOROPHYLL
A PROTEIN

(Chlorobaculum
tepidum) 		PF02327
(BChl_A) 		5 LEU A 241
ASP A 233
ILE A 292
HIS A 226
GLN A 197
 BCL  A 375 (-3.7A)
BCL  A 375 ( 4.6A)
BCL  A 377 ( 4.8A)
BCL  A 376 (-3.4A)
BCL  A 377 (-3.1A)
 1.24A 1s9aB-3eniA:
undetectable		 1s9aB-3eniA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3htx HEN1

(Arabidopsis
thaliana) 		PF13847
(Methyltransf_31) 		5 ILE A 360
GLY A 354
TYR A 314
HIS A 399
GLN A 398
 None
 1.18A 1s9aB-3htxA:
undetectable		 1s9aB-3htxA:
14.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i4y CATECHOL
1,2-DIOXYGENASE

(Rhodococcus
opacus) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		10 LEU A  77
ASP A  80
ILE A 102
GLY A 104
PRO A 105
TYR A 162
ARG A 217
HIS A 220
HIS A 222
GLN A 236
 35C  A   1 (-3.7A)
None
35C  A   1 (-4.7A)
35C  A   1 (-3.0A)
35C  A   1 (-4.7A)
35C  A   1 ( 4.2A)
35C  A   1 (-3.9A)
FE  A 281 ( 3.4A)
FE  A 281 ( 3.3A)
35C  A   1 ( 4.0A)
 0.34A 1s9aB-3i4yA:
31.0		 1s9aB-3i4yA:
39.86
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.
3imh GALACTOSE-1-EPIMERAS
E

(Lactobacillus
acidophilus) 		PF01263
(Aldose_epim) 		5 ASP A 292
ILE A 288
GLY A 289
TYR A 274
HIS A 278
 MG  A 337 ( 4.0A)
None
CL  A 344 (-3.6A)
GOL  A 340 (-3.8A)
GOL  A 340 (-4.2A)
 1.39A 1s9aB-3imhA:
undetectable		 1s9aB-3imhA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mgz 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00926
(DHBP_synthase) 		5 LEU A  34
ASP A  33
ILE A  23
GLY A  32
HIS A 177
 None
 1.32A 1s9aB-3mgzA:
undetectable		 1s9aB-3mgzA:
23.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n9t PNPC

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 GLY A 106
PRO A 107
ARG A 215
HIS A 218
HIS A 234
 FLC  A 293 ( 4.3A)
FLC  A 293 (-3.5A)
FLC  A 293 (-4.3A)
FE  A 292 ( 3.2A)
None
 1.42A 1s9aB-3n9tA:
28.0		 1s9aB-3n9tA:
31.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n9t PNPC

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		7 GLY A 106
PRO A 107
TYR A 160
TYR A 194
ARG A 215
HIS A 218
HIS A 220
 FLC  A 293 ( 4.3A)
FLC  A 293 (-3.5A)
FE  A 292 ( 4.3A)
FLC  A 293 ( 4.0A)
FLC  A 293 (-4.3A)
FE  A 292 ( 3.2A)
FE  A 292 ( 3.1A)
 0.29A 1s9aB-3n9tA:
28.0		 1s9aB-3n9tA:
31.56
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.
3pfi HOLLIDAY JUNCTION
ATP-DEPENDENT DNA
HELICASE RUVB

(Campylobacter
jejuni) 		PF05491
(RuvB_C)
PF05496
(RuvB_N) 		5 ASP A 105
ILE A 106
TYR A 130
HIS A  54
CYH A  51
 None
 1.29A 1s9aB-3pfiA:
undetectable		 1s9aB-3pfiA:
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.
3s30 HYPOTHETICAL
GLYCOSIDE HYDROLASE

(Bacteroides
vulgatus) 		PF13201
(PCMD) 		5 LEU A 290
ASP A 291
GLY A 292
TYR A 299
TYR A 277
 None
 1.37A 1s9aB-3s30A:
undetectable		 1s9aB-3s30A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t63 PROTOCATECHUATE
3,4-DIOXYGENASE BETA
CHAIN

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF12391
(PCDO_beta_N) 		5 ILE M 491
TYR M 408
HIS M 460
GLN M 477
CYH M 489
 None
BME  M   1 ( 4.4A)
FE  M 600 ( 3.4A)
BME  M   1 ( 4.9A)
None
 1.49A 1s9aB-3t63M:
13.3		 1s9aB-3t63M:
27.76
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.
3t63 PROTOCATECHUATE
3,4-DIOXYGENASE BETA
CHAIN

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF12391
(PCDO_beta_N) 		5 TYR M 408
ARG M 457
HIS M 460
GLN M 477
CYH M 489
 BME  M   1 ( 4.4A)
BME  M   1 (-3.9A)
FE  M 600 ( 3.4A)
BME  M   1 ( 4.9A)
None
 1.38A 1s9aB-3t63M:
13.3		 1s9aB-3t63M:
27.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3th1 CHLOROCATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		9 ASP A  51
ILE A  73
TYR A 130
TYR A 164
ARG A 185
HIS A 188
HIS A 190
GLN A 204
CYH A 218
 DTD  A 301 (-4.1A)
DTD  A 301 (-4.9A)
FE  A 300 (-3.9A)
DTD  A 301 ( 3.9A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
FE  A 300 (-3.3A)
DTD  A 301 ( 4.5A)
DTD  A 301 ( 4.3A)
 0.66A 1s9aB-3th1A:
28.9		 1s9aB-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3th1 CHLOROCATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		7 ILE A  73
GLY A  75
PRO A  76
TYR A 130
HIS A 188
GLN A 204
CYH A 218
 DTD  A 301 (-4.9A)
DTD  A 301 (-3.5A)
DTD  A 301 (-4.5A)
FE  A 300 (-3.9A)
FE  A 300 (-3.5A)
DTD  A 301 ( 4.5A)
DTD  A 301 ( 4.3A)
 1.36A 1s9aB-3th1A:
28.9		 1s9aB-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3th1 CHLOROCATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		10 ILE A  73
GLY A  75
PRO A  76
TYR A 130
TYR A 164
ARG A 185
HIS A 188
HIS A 190
GLN A 204
CYH A 218
 DTD  A 301 (-4.9A)
DTD  A 301 (-3.5A)
DTD  A 301 (-4.5A)
FE  A 300 (-3.9A)
DTD  A 301 ( 3.9A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
FE  A 300 (-3.3A)
DTD  A 301 ( 4.5A)
DTD  A 301 ( 4.3A)
 0.62A 1s9aB-3th1A:
28.9		 1s9aB-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3th1 CHLOROCATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		6 ILE A  73
GLY A  75
PRO A  76
TYR A 164
HIS A 188
GLN A 204
 DTD  A 301 (-4.9A)
DTD  A 301 (-3.5A)
DTD  A 301 (-4.5A)
DTD  A 301 ( 3.9A)
FE  A 300 (-3.5A)
DTD  A 301 ( 4.5A)
 1.36A 1s9aB-3th1A:
28.9		 1s9aB-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3th1 CHLOROCATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		6 LEU A  48
ASP A  51
ILE A  73
HIS A 188
GLN A 204
CYH A 218
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.1A)
DTD  A 301 (-4.9A)
FE  A 300 (-3.5A)
DTD  A 301 ( 4.5A)
DTD  A 301 ( 4.3A)
 1.35A 1s9aB-3th1A:
28.9		 1s9aB-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3th1 CHLOROCATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		9 LEU A  48
ASP A  51
ILE A  73
TYR A 164
ARG A 185
HIS A 188
HIS A 190
GLN A 204
CYH A 218
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.1A)
DTD  A 301 (-4.9A)
DTD  A 301 ( 3.9A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
FE  A 300 (-3.3A)
DTD  A 301 ( 4.5A)
DTD  A 301 ( 4.3A)
 0.73A 1s9aB-3th1A:
28.9		 1s9aB-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3th1 CHLOROCATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		6 LEU A  48
ILE A  73
GLY A  75
HIS A 188
GLN A 204
CYH A 218
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.9A)
DTD  A 301 (-3.5A)
FE  A 300 (-3.5A)
DTD  A 301 ( 4.5A)
DTD  A 301 ( 4.3A)
 1.31A 1s9aB-3th1A:
28.9		 1s9aB-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3th1 CHLOROCATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		9 LEU A  48
ILE A  73
GLY A  75
TYR A 164
ARG A 185
HIS A 188
HIS A 190
GLN A 204
CYH A 218
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.9A)
DTD  A 301 (-3.5A)
DTD  A 301 ( 3.9A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
FE  A 300 (-3.3A)
DTD  A 301 ( 4.5A)
DTD  A 301 ( 4.3A)
 0.82A 1s9aB-3th1A:
28.9		 1s9aB-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3th1 CHLOROCATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		6 LEU A  48
ILE A  73
GLY A  75
TYR A 164
HIS A 188
GLN A 204
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.9A)
DTD  A 301 (-3.5A)
DTD  A 301 ( 3.9A)
FE  A 300 (-3.5A)
DTD  A 301 ( 4.5A)
 1.30A 1s9aB-3th1A:
28.9		 1s9aB-3th1A:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3th1 CHLOROCATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 LEU A  48
TYR A 164
ARG A 185
HIS A 188
CYH A 217
 DTD  A 301 ( 4.8A)
DTD  A 301 ( 3.9A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
None
 1.00A 1s9aB-3th1A:
28.9		 1s9aB-3th1A:
36.43
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.
4b7g CATALASE

(Corynebacterium
glutamicum) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 LEU A 465
ILE A 459
GLY A 458
HIS A 189
GLN A 456
 None
NDP  A1518 ( 4.3A)
None
NDP  A1518 (-3.8A)
NDP  A1518 (-4.7A)
 1.48A 1s9aB-4b7gA:
undetectable		 1s9aB-4b7gA:
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.
4bhd SERINE
HYDROXYMETHYLTRANSFE
RASE

(Methanocaldococcus
jannaschii) 		PF00464
(SHMT) 		5 ILE A  28
GLY A 365
ARG A 363
HIS A 199
HIS A 313
 None
 1.44A 1s9aB-4bhdA:
undetectable		 1s9aB-4bhdA:
20.28
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.
4h6j HYPOXIA INDUCIBLE
FACTOR 1-ALPHA

(Homo sapiens) 		PF08447
(PAS_3) 		5 ILE A 335
TYR A 276
TYR A 279
HIS A 291
CYH A 337
 None
 1.42A 1s9aB-4h6jA:
undetectable		 1s9aB-4h6jA:
16.34
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.
4ilt INTRADIOL
RING-CLEAVAGE
DIOXYGENASE

(Streptomyces
sp. SirexAA-E) 		PF00775
(Dioxygenase_C) 		7 GLY A  85
PRO A  86
TYR A 138
ARG A 170
HIS A 173
HIS A 175
GLN A 189
 None
None
FE  A 301 (-3.9A)
FE  A 301 ( 4.8A)
FE  A 301 (-3.1A)
FE  A 301 (-3.2A)
None
 0.50A 1s9aB-4iltA:
22.4		 1s9aB-4iltA:
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.
4ilv INTRADIOL
RING-CLEAVAGE
DIOXYGENASE

(Streptomyces
sp. SirexAA-E) 		PF00775
(Dioxygenase_C) 		8 GLY A  85
PRO A  86
TYR A 138
TYR A 167
ARG A 170
HIS A 173
HIS A 175
GLN A 189
 EDO  A 302 ( 4.2A)
EDO  A 302 (-4.4A)
FE  A 301 ( 4.2A)
FE  A 301 ( 4.5A)
EDO  A 302 (-3.8A)
FE  A 301 ( 3.3A)
FE  A 301 ( 3.4A)
EDO  A 302 ( 4.4A)
 0.44A 1s9aB-4ilvA:
22.2		 1s9aB-4ilvA:
25.76
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.
4ilv INTRADIOL
RING-CLEAVAGE
DIOXYGENASE

(Streptomyces
sp. SirexAA-E) 		PF00775
(Dioxygenase_C) 		5 GLY A  85
PRO A  86
TYR A 167
HIS A 173
GLN A 189
 EDO  A 302 ( 4.2A)
EDO  A 302 (-4.4A)
FE  A 301 ( 4.5A)
FE  A 301 ( 3.3A)
EDO  A 302 ( 4.4A)
 1.36A 1s9aB-4ilvA:
22.2		 1s9aB-4ilvA:
25.76
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.
4inz SOLUBLE EPOXIDE
HYDROLASE

(Bacillus
megaterium) 		PF00561
(Abhydrolase_1) 		5 LEU A 168
PRO A  31
TYR A 187
HIS A 271
GLN A 270
 None
 1.30A 1s9aB-4inzA:
undetectable		 1s9aB-4inzA:
18.24
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.
4jcd MAJOR CAPSID PROTEIN
VP1

(Human
polyomavirus 2) 		PF00718
(Polyoma_coat) 		5 LEU A  87
ASP A 249
GLY A 248
TYR A 252
ARG A  84
 None
 1.47A 1s9aB-4jcdA:
undetectable		 1s9aB-4jcdA:
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.
4mb7 ENDONUCLEASE 8-LIKE
L720

(Acanthamoeba
polyphaga
mimivirus) 		PF06831
(H2TH) 		6 LEU A 137
ASP A 141
ILE A   7
GLY A 180
PRO A 179
HIS A  69
 None
None
None
None
None
SO4  A 304 (-3.9A)
 1.41A 1s9aB-4mb7A:
undetectable		 1s9aB-4mb7A:
19.86
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.
4mkv RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Pisum sativum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 LEU A 349
ASP A 347
ILE A 362
GLY A 344
HIS A 310
 None
 1.26A 1s9aB-4mkvA:
undetectable		 1s9aB-4mkvA:
20.13
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.
4n5c CARGO-TRANSPORT
PROTEIN YPP1

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A 121
ILE A  99
TYR A 190
HIS A  52
GLN A  48
 None
 1.40A 1s9aB-4n5cA:
undetectable		 1s9aB-4n5cA:
14.39
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.
4wxl PEPTIDE DEFORMYLASE

(Haemophilus
influenzae) 		PF01327
(Pep_deformylase) 		5 LEU A 147
ASP A 145
ILE A 141
HIS A 133
HIS A 137
 None
None
None
NI  A 201 ( 3.3A)
NI  A 201 ( 3.2A)
 1.28A 1s9aB-4wxlA:
undetectable		 1s9aB-4wxlA:
21.64
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.
4zr0 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		5 LEU A 372
ASP A 365
GLY A 358
HIS A 249
HIS A 244
 None
None
None
ZN  A 402 (-3.2A)
ZN  A 402 (-3.7A)
 1.45A 1s9aB-4zr0A:
undetectable		 1s9aB-4zr0A:
20.10
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.
5frd CARBOXYLESTERASE
(EST-2)

(Archaeoglobus
fulgidus) 		PF12697
(Abhydrolase_6) 		5 LEU A 169
ASP A 168
GLY A  31
HIS A  88
GLN A  36
 None
 1.46A 1s9aB-5frdA:
undetectable		 1s9aB-5frdA:
19.10
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.
5h0i ASPARAGINYL
ENDOPEPTIDASE

(Oldenlandia
affinis) 		PF01650
(Peptidase_C13) 		5 LEU A 353
ASP A 349
HIS A  73
HIS A 175
CYH A 247
 None
 1.30A 1s9aB-5h0iA:
undetectable		 1s9aB-5h0iA:
18.18
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.
5h7w VENOM
5'-NUCLEOTIDASE

(Naja atra) 		no annotation 5 LEU A 424
ASP A 423
GLY A 522
HIS A 118
GLN A  88
 None
 1.34A 1s9aB-5h7wA:
undetectable		 1s9aB-5h7wA:
17.16
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.
5i2g DIOL DEHYDRATASE

(Roseburia
inulinivorans) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ILE A 558
GLY A 724
PRO A 725
TYR A 780
HIS A 746
 None
 1.45A 1s9aB-5i2gA:
undetectable		 1s9aB-5i2gA:
16.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oe7 UBIQUITIN
THIOESTERASE OTULIN

(Homo sapiens) 		PF16218
(Peptidase_C101) 		5 LEU A 307
ASP A 336
TYR A 340
ARG A 306
GLN A 288
 None
 1.46A 1s9aB-5oe7A:
undetectable		 1s9aB-5oe7A:
21.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5td3 CATECHOL
1,2-DIOXYGENASE

(Burkholderia
vietnamiensis) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		9 LEU A  84
ILE A 116
GLY A 118
PRO A 119
TYR A 175
ARG A 232
HIS A 235
HIS A 237
GLN A 251
 EDO  A 403 ( 4.6A)
None
None
None
ZN  A 401 (-4.2A)
ZN  A 401 ( 4.7A)
ZN  A 401 (-3.2A)
ZN  A 401 (-3.1A)
ZN  A 401 ( 4.9A)
 0.45A 1s9aB-5td3A:
28.1		 1s9aB-5td3A:
30.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5umh CATECHOL
1,2-DIOXYGENASE

(Burkholderia
multivorans) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		10 LEU A  73
ILE A 105
GLY A 107
PRO A 108
TYR A 164
TYR A 200
ARG A 221
HIS A 224
HIS A 226
GLN A 240
 None
None
EDO  A 402 (-3.6A)
EDO  A 402 (-4.4A)
ZN  A 401 ( 4.2A)
ZN  A 401 ( 4.7A)
EDO  A 402 (-3.4A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 3.2A)
None
 0.71A 1s9aB-5umhA:
27.5		 1s9aB-5umhA:
30.65
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.
5vg2 INTRADIOL
RING-CLEAVAGE
DIOXYGENASE

(Tetranychus
urticae) 		no annotation 8 GLY U  65
PRO U  66
TYR U 118
TYR U 163
ARG U 166
HIS U 169
HIS U 171
GLN U 185
 None
None
FE  U 301 (-4.3A)
FE  U 301 (-4.8A)
FE  U 301 ( 4.9A)
FE  U 301 (-3.5A)
FE  U 301 (-3.3A)
None
 0.49A 1s9aB-5vg2U:
19.0		 1s9aB-5vg2U:
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.
5vg2 INTRADIOL
RING-CLEAVAGE
DIOXYGENASE

(Tetranychus
urticae) 		no annotation 5 GLY U  65
PRO U  66
TYR U 163
HIS U 169
GLN U 185
 None
None
FE  U 301 (-4.8A)
FE  U 301 (-3.5A)
None
 1.50A 1s9aB-5vg2U:
19.0		 1s9aB-5vg2U:
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.
5vrf CADMIUM AND ZINC
EFFLUX PUMP FIEF

(Shewanella
oneidensis) 		no annotation 5 LEU B  83
GLY B  78
TYR B  64
HIS B  73
HIS B  77
 None
None
None
ZN  B 302 (-3.2A)
ZN  B 302 (-3.4A)
 1.43A 1s9aB-5vrfB:
undetectable		 1s9aB-5vrfB:
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.
5ww1 PULULLANASE

(Paenibacillus
barengoltzii) 		no annotation 5 LEU A 250
ILE A 554
TYR A 240
TYR A 271
HIS A 185
 CL  A 716 ( 3.9A)
None
None
None
None
 1.07A 1s9aB-5ww1A:
undetectable		 1s9aB-5ww1A:
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.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 5 ASP A 382
ILE A 419
GLY A 381
TYR A 374
GLN A 397
 None
 1.23A 1s9aB-5x7uA:
undetectable		 1s9aB-5x7uA:
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.
5yb7 L-AMINO ACID
OXIDASE/MONOOXYGENAS
E

(Pseudomonas sp.
AIU 813) 		no annotation 5 ILE A  17
GLY A  19
PRO A  20
TYR A 488
GLN A 522
 None
 1.20A 1s9aB-5yb7A:
undetectable		 1s9aB-5yb7A:
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.
6eno DEHYDRATASE FAMILY
PROTEIN

(Carboxydothermus
hydrogenoformans) 		no annotation 5 LEU A 217
ILE A 309
GLY A 310
HIS A 292
GLN A 284
 None
 1.22A 1s9aB-6enoA:
undetectable		 1s9aB-6enoA:
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.
6ftl RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Skeletonema
marinoi) 		no annotation 5 LEU A 352
ASP A 350
ILE A 365
GLY A 347
ARG A 315
 None
 1.44A 1s9aB-6ftlA:
undetectable		 1s9aB-6ftlA:
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.
6g72 NADH DEHYDROGENASE
[UBIQUINONE]
FLAVOPROTEIN 2,
MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
FLAVOPROTEIN 3,
MITOCHONDRIAL

(Mus musculus;
Mus musculus) 		no annotation
no annotation 		5 GLY E 185
PRO E 186
TYR s  32
HIS s  37
HIS s  38
 None
 1.14A 1s9aB-6g72E:
undetectable		 1s9aB-6g72E:
undetectable