SIMILAR PATTERNS OF AMINO ACIDS FOR 1S9A_A_BEZA306_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
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) 		8 ILE A 105
GLY A 107
PRO A 108
TYR A 164
TYR A 200
ARG A 221
HIS A 224
HIS A 226
 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)
 0.56A 1s9aA-1dlmA:
27.6		 1s9aA-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) 		8 LEU A  73
ILE A 105
GLY A 107
PRO A 108
TYR A 164
TYR A 200
HIS A 224
HIS A 226
 None
None
None
None
FE  A 400 (-4.1A)
FE  A 400 (-4.4A)
FE  A 400 (-3.4A)
FE  A 400 (-3.1A)
 0.58A 1s9aA-1dlmA:
27.6		 1s9aA-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 TYR B 408
TYR B 447
ARG B 457
HIS B 460
HIS B 462
 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)
 0.39A 1s9aA-1eo9B:
12.3		 1s9aA-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.
1pn4 PEROXISOMAL
HYDRATASE-DEHYDROGEN
ASE-EPIMERASE

(Candida
tropicalis) 		PF01575
(MaoC_dehydratas) 		5 LEU A 211
GLY A 205
TYR A 177
TYR A  17
HIS A  46
 None
HDC  A1277 (-3.4A)
None
None
None
 1.44A 1s9aA-1pn4A:
undetectable		 1s9aA-1pn4A:
22.03
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) 		11 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
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 (-3.5A)
 0.00A 1s9aA-1s9aA:
40.7		 1s9aA-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) 		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)
 0.30A 1s9aA-1tmxA:
28.4		 1s9aA-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)
 1.05A 1s9aA-1tmxA:
28.4		 1s9aA-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.
1z72 TRANSCRIPTIONAL
REGULATOR, PUTATIVE

(Streptococcus
pneumoniae) 		PF03070
(TENA_THI-4) 		5 LEU A  47
ASP A  49
ILE A 218
GLY A 219
HIS A  31
 None
 1.33A 1s9aA-1z72A:
undetectable		 1s9aA-1z72A:
19.86
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) 		8 ILE A 104
GLY A 106
PRO A 107
TYR A 162
TYR A 196
ARG A 217
HIS A 220
HIS A 222
 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)
 0.48A 1s9aA-2azqA:
27.3		 1s9aA-2azqA:
32.49
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) 		5 LEU A  72
ILE A 104
GLY A 106
PRO A 107
TYR A 162
 None
None
None
None
FE  A 400 (-4.1A)
 1.37A 1s9aA-2azqA:
27.3		 1s9aA-2azqA:
32.49
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) 		8 LEU A  72
ILE A 104
GLY A 106
PRO A 107
TYR A 162
TYR A 196
HIS A 220
HIS A 222
 None
None
None
None
FE  A 400 (-4.1A)
FE  A 400 (-4.4A)
FE  A 400 (-3.6A)
FE  A 400 (-3.2A)
 0.53A 1s9aA-2azqA:
27.3		 1s9aA-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) 		10 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
 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)
 0.31A 1s9aA-2boyA:
32.3		 1s9aA-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 1s9aA-2f00A:
undetectable		 1s9aA-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.
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)
 0.57A 1s9aA-2xsrA:
27.7		 1s9aA-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) 		5 LEU A  69
ILE A 101
GLY A 103
PRO A 104
TYR A 161
 None
None
None
None
FE  A1307 (-4.3A)
 1.27A 1s9aA-2xsrA:
27.7		 1s9aA-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 1s9aA-2xsrA:
27.7		 1s9aA-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.
3f41 PHYTASE

(Mitsuokella
multacida) 		PF14566
(PTPlike_phytase) 		5 LEU A 217
ILE A 160
GLY A 131
TYR A 214
HIS A 134
 None
None
None
EDO  A   7 (-4.2A)
EDO  A   7 ( 4.6A)
 1.17A 1s9aA-3f41A:
undetectable		 1s9aA-3f41A:
17.59
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) 		9 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
 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)
 0.39A 1s9aA-3i4yA:
30.6		 1s9aA-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)
 1.36A 1s9aA-3imhA:
undetectable		 1s9aA-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.
3l1w UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF03372
(Exo_endo_phos) 		5 LEU A 245
ASP A 215
ILE A 214
TYR A 218
HIS A 176
 None
 1.23A 1s9aA-3l1wA:
undetectable		 1s9aA-3l1wA:
25.00
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.
3l1w UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF03372
(Exo_endo_phos) 		5 LEU A 245
ASP A 215
ILE A 214
TYR A 218
HIS A 176
 None
 1.30A 1s9aA-3l1wA:
undetectable		 1s9aA-3l1wA:
25.00
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)
 0.36A 1s9aA-3n9tA:
28.2		 1s9aA-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) 		5 GLY A 106
TYR A 194
ARG A 215
HIS A 218
HIS A 234
 FLC  A 293 ( 4.3A)
FLC  A 293 ( 4.0A)
FLC  A 293 (-4.3A)
FE  A 292 ( 3.2A)
None
 1.45A 1s9aA-3n9tA:
28.2		 1s9aA-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.
3nmb PUTATIVE SUGAR
HYDROLASE

(Bacteroides
ovatus) 		PF06439
(DUF1080) 		5 LEU A 138
ILE A 135
PRO A 161
TYR A 228
HIS A 218
 None
 1.41A 1s9aA-3nmbA:
undetectable		 1s9aA-3nmbA:
20.96
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.
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 1s9aA-3pfiA:
undetectable		 1s9aA-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.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 LEU A 353
GLY A 455
PRO A 456
HIS A 169
HIS A 454
 None
 1.32A 1s9aA-3rimA:
undetectable		 1s9aA-3rimA:
17.52
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.
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 1s9aA-3s30A:
undetectable		 1s9aA-3s30A:
22.28
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) 		8 ASP A  51
ILE A  73
PRO A  76
TYR A 164
ARG A 185
HIS A 188
HIS A 190
CYH A 218
 DTD  A 301 (-4.1A)
DTD  A 301 (-4.9A)
DTD  A 301 (-4.5A)
DTD  A 301 ( 3.9A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
FE  A 300 (-3.3A)
DTD  A 301 ( 4.3A)
 0.87A 1s9aA-3th1A:
28.8		 1s9aA-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 ILE A  73
GLY A  75
PRO A  76
TYR A 130
TYR A 164
ARG A 185
HIS A 188
HIS A 190
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 ( 4.3A)
 0.77A 1s9aA-3th1A:
28.8		 1s9aA-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
PRO A  76
TYR A 130
ARG A 185
HIS A 188
CYH A 218
 DTD  A 301 (-4.9A)
DTD  A 301 (-4.5A)
FE  A 300 (-3.9A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
DTD  A 301 ( 4.3A)
 1.42A 1s9aA-3th1A:
28.8		 1s9aA-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
TYR A  77
TYR A 164
CYH A 218
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.1A)
DTD  A 301 (-4.9A)
None
DTD  A 301 ( 3.9A)
DTD  A 301 ( 4.3A)
 1.34A 1s9aA-3th1A:
28.8		 1s9aA-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 LEU A  48
ASP A  51
ILE A  73
TYR A 164
ARG A 185
HIS A 188
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)
DTD  A 301 ( 4.3A)
 0.82A 1s9aA-3th1A:
28.8		 1s9aA-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 LEU A  48
ILE A  73
GLY A  75
TYR A 164
ARG A 185
HIS A 188
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)
DTD  A 301 ( 4.3A)
 0.96A 1s9aA-3th1A:
28.8		 1s9aA-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.
4e3e MAOC DOMAIN PROTEIN
DEHYDRATASE

(Chloroflexus
aurantiacus) 		PF01575
(MaoC_dehydratas) 		5 LEU A  67
ILE A 254
GLY A 252
TYR A  91
HIS A 280
 None
 1.23A 1s9aA-4e3eA:
undetectable		 1s9aA-4e3eA:
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.
4hv4 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Yersinia pestis) 		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
 1.24A 1s9aA-4hv4A:
undetectable		 1s9aA-4hv4A:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ilt INTRADIOL
RING-CLEAVAGE
DIOXYGENASE

(Streptomyces
sp. SirexAA-E) 		PF00775
(Dioxygenase_C) 		6 GLY A  85
PRO A  86
TYR A 138
ARG A 170
HIS A 173
HIS A 175
 None
None
FE  A 301 (-3.9A)
FE  A 301 ( 4.8A)
FE  A 301 (-3.1A)
FE  A 301 (-3.2A)
 0.51A 1s9aA-4iltA:
20.1		 1s9aA-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) 		7 GLY A  85
PRO A  86
TYR A 138
TYR A 167
ARG A 170
HIS A 173
HIS A 175
 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)
 0.43A 1s9aA-4ilvA:
19.9		 1s9aA-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.
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)
 1.46A 1s9aA-4mb7A:
undetectable		 1s9aA-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
 1.28A 1s9aA-4mkvA:
undetectable		 1s9aA-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.
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)
 1.30A 1s9aA-4wxlA:
undetectable		 1s9aA-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)
 1.43A 1s9aA-4zr0A:
undetectable		 1s9aA-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.
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
 1.23A 1s9aA-5h0iA:
undetectable		 1s9aA-5h0iA:
18.18
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) 		8 LEU A  84
ILE A 116
GLY A 118
PRO A 119
TYR A 175
ARG A 232
HIS A 235
HIS A 237
 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)
 0.61A 1s9aA-5td3A:
28.3		 1s9aA-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) 		9 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
 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)
 0.45A 1s9aA-5umhA:
27.9		 1s9aA-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 7 GLY U  65
PRO U  66
TYR U 118
TYR U 163
ARG U 166
HIS U 169
HIS U 171
 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)
 0.46A 1s9aA-5vg2U:
17.1		 1s9aA-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.
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
 1.42A 1s9aA-6ftlA:
undetectable		 1s9aA-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
 1.10A 1s9aA-6g72E:
undetectable		 1s9aA-6g72E:
undetectable