SIMILAR PATTERNS OF AMINO ACIDS FOR 1TMX_B_BEZB882_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.
1b48 PROTEIN (GLUTATHIONE
S-TRANSFERASE)

(Mus musculus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 GLY A 150
TYR A  95
ILE A  92
ARG A  91
HIS A 143
 None
 1.43A 1tmxB-1b48A:
undetectable		 1tmxB-1b48A:
20.74
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.
1ck7 PROTEIN (GELATINASE
A)

(Homo sapiens) 		PF00040
(fn2)
PF00045
(Hemopexin)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		5 GLY A 179
HIS A 193
HIS A 178
HIS A 206
VAL A 201
 None
ZN  A 991 ( 3.1A)
ZN  A 991 ( 3.1A)
ZN  A 991 ( 3.1A)
None
 1.09A 1tmxB-1ck7A:
undetectable		 1tmxB-1ck7A:
18.14
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.
1dlm CATECHOL
1,2-DIOXYGENASE

(Acinetobacter
sp. ADP1) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		8 ASP A  81
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)
 0.89A 1tmxB-1dlmA:
27.1		 1tmxB-1dlmA:
29.06
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.
1dlm CATECHOL
1,2-DIOXYGENASE

(Acinetobacter
sp. ADP1) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 LEU A  73
GLY A 107
ARG A 221
HIS A 224
HIS A 226
 None
None
FE  A 400 ( 4.7A)
FE  A 400 (-3.4A)
FE  A 400 (-3.1A)
 0.93A 1tmxB-1dlmA:
27.1		 1tmxB-1dlmA:
29.06
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.
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)
 0.37A 1tmxB-1eo9B:
12.7		 1tmxB-1eo9B:
27.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 GLY A 534
ILE A  83
HIS A 532
HIS A  22
VAL A  32
 None
 1.22A 1tmxB-1g8kA:
undetectable		 1tmxB-1g8kA:
17.06
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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 GLY A 534
ILE A  83
HIS A 532
HIS A  22
VAL A  85
 None
 1.10A 1tmxB-1g8kA:
undetectable		 1tmxB-1g8kA:
17.06
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.
1lq2 BETA-D-GLUCAN
GLUCOHYDROLASE
ISOENZYME EXO1

(Hordeum vulgare) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 GLY A 428
PRO A 488
TYR A 489
ILE A 523
HIS A 111
 None
 1.41A 1tmxB-1lq2A:
undetectable		 1tmxB-1lq2A:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m7j D-AMINOACYLASE

(Alcaligenes
faecalis) 		PF07969
(Amidohydro_3) 		5 LEU A 115
TYR A 192
ILE A  98
HIS A 220
HIS A 250
 None
ACT  A 901 (-4.6A)
None
ZN  A 801 ( 3.1A)
ZN  A 801 ( 3.2A)
 1.38A 1tmxB-1m7jA:
undetectable		 1tmxB-1m7jA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 381
ASP A 413
GLY A 331
ILE A 423
VAL A 425
 None
 1.14A 1tmxB-1mdfA:
undetectable		 1tmxB-1mdfA:
20.33
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.
1s9a CHLOROCATECHOL
1,2-DIOXYGENASE

(Rhodococcus
opacus) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		7 GLY A  76
PRO A  77
TYR A 134
TYR A 169
ARG A 191
HIS A 194
HIS A 196
 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)
 0.37A 1tmxB-1s9aA:
27.7		 1tmxB-1s9aA:
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.
1s9a CHLOROCATECHOL
1,2-DIOXYGENASE

(Rhodococcus
opacus) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		6 PRO A  77
TYR A 134
TYR A 169
ILE A 171
HIS A 194
HIS A 196
 TAM  A 305 ( 4.4A)
FE  A 300 ( 4.3A)
FE  A 300 ( 4.5A)
None
FE  A 300 ( 3.2A)
FE  A 300 ( 3.4A)
 0.89A 1tmxB-1s9aA:
27.7		 1tmxB-1s9aA:
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.
1td2 PYRIDOXAMINE KINASE

(Escherichia
coli) 		PF08543
(Phos_pyr_kin) 		5 LEU A  60
GLY A  90
TYR A 109
ILE A   8
HIS A 132
 None
 1.33A 1tmxB-1td2A:
undetectable		 1tmxB-1td2A:
23.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tmx HYDROXYQUINOL
1,2-DIOXYGENASE

(Pimelobacter
simplex) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		7 LEU A  80
ASP A  83
GLY A 109
ILE A 199
HIS A 221
HIS A 237
VAL A 251
 None
BEZ  A 881 (-3.8A)
BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.1A)
FE  A 861 ( 3.3A)
None
BEZ  A 881 ( 4.8A)
 1.39A 1tmxB-1tmxA:
38.5		 1tmxB-1tmxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tmx HYDROXYQUINOL
1,2-DIOXYGENASE

(Pimelobacter
simplex) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		9 LEU A  80
ASP A  83
GLY A 109
PRO A 110
ILE A 199
ARG A 218
HIS A 237
HIS A 223
VAL A 251
 None
BEZ  A 881 (-3.8A)
BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.3A)
BEZ  A 881 (-4.1A)
BEZ  A 881 (-3.8A)
None
FE  A 861 ( 3.4A)
BEZ  A 881 ( 4.8A)
 1.38A 1tmxB-1tmxA:
38.5		 1tmxB-1tmxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tmx HYDROXYQUINOL
1,2-DIOXYGENASE

(Pimelobacter
simplex) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		12 LEU A  80
ASP A  83
GLY A 109
PRO A 110
TYR A 164
TYR A 197
ILE A 199
ARG A 218
HIS A 221
HIS A 223
HIS A 237
VAL A 251
 None
BEZ  A 881 (-3.8A)
BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.3A)
FE  A 861 (-4.2A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-4.1A)
BEZ  A 881 (-3.8A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
None
BEZ  A 881 ( 4.8A)
 0.56A 1tmxB-1tmxA:
38.5		 1tmxB-1tmxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tmx HYDROXYQUINOL
1,2-DIOXYGENASE

(Pimelobacter
simplex) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		8 LEU A  80
ASP A  83
GLY A 109
PRO A 110
TYR A 197
ILE A 199
HIS A 221
HIS A 223
 None
BEZ  A 881 (-3.8A)
BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.3A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-4.1A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
 1.42A 1tmxB-1tmxA:
38.5		 1tmxB-1tmxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tmx HYDROXYQUINOL
1,2-DIOXYGENASE

(Pimelobacter
simplex) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		6 LEU A  80
ASP A  83
GLY A 109
TYR A 164
HIS A 221
HIS A 237
 None
BEZ  A 881 (-3.8A)
BEZ  A 881 (-3.5A)
FE  A 861 (-4.2A)
FE  A 861 ( 3.3A)
None
 1.45A 1tmxB-1tmxA:
38.5		 1tmxB-1tmxA:
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.
1u60 PROBABLE GLUTAMINASE
YBAS

(Escherichia
coli) 		PF04960
(Glutaminase) 		5 LEU A 212
GLY A 258
PRO A 257
ILE A 234
VAL A  70
 None
 0.98A 1tmxB-1u60A:
undetectable		 1tmxB-1u60A:
24.17
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.
1xp3 ENDONUCLEASE IV

(Bacillus
anthracis) 		PF01261
(AP_endonuc_2) 		5 LEU A 259
TYR A 240
ILE A 233
HIS A 244
HIS A 248
 None
 1.39A 1tmxB-1xp3A:
undetectable		 1tmxB-1xp3A:
20.12
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.
1z5a TYPE II DNA
TOPOISOMERASE VI
SUBUNIT B

(Sulfolobus
shibatae) 		PF02518
(HATPase_c)
PF05833
(FbpA)
PF09239
(Topo-VIb_trans) 		5 LEU A  32
PRO A 208
TYR A 188
ILE A 187
VAL A  36
 None
 1.33A 1tmxB-1z5aA:
undetectable		 1tmxB-1z5aA:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a3l AMP DEAMINASE

(Arabidopsis
thaliana) 		PF00962
(A_deaminase) 		5 LEU A 712
TYR A 467
HIS A 393
HIS A 659
HIS A 391
 None
CF5  A 841 (-2.7A)
ZN  A 840 ( 3.2A)
ZN  A 840 ( 3.1A)
ZN  A 840 ( 3.2A)
 1.36A 1tmxB-2a3lA:
undetectable		 1tmxB-2a3lA:
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.
2az4 HYPOTHETICAL PROTEIN
EF2904

(Enterococcus
faecalis) 		PF12706
(Lactamase_B_2) 		5 GLY A  20
TYR A 186
ILE A  23
HIS A  97
HIS A 404
 None
None
None
ZN  A 602 (-3.3A)
ZN  A 602 (-3.5A)
 1.40A 1tmxB-2az4A:
undetectable		 1tmxB-2az4A:
22.45
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.
2azq CATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		7 GLY A 106
PRO A 107
TYR A 162
TYR A 196
ARG A 217
HIS A 220
HIS A 222
 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)
 0.35A 1tmxB-2azqA:
26.7		 1tmxB-2azqA:
29.43
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.
2boy 3-CHLOROCATECHOL
1,2-DIOXYGENASE

(Rhodococcus
opacus) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 ASP A  52
TYR A 167
ARG A 188
HIS A 191
HIS A 193
 None
FE  A1255 ( 4.3A)
BHO  A1256 (-3.4A)
FE  A1255 ( 3.2A)
FE  A1255 ( 3.4A)
 1.37A 1tmxB-2boyA:
27.3		 1tmxB-2boyA:
23.99
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.
2boy 3-CHLOROCATECHOL
1,2-DIOXYGENASE

(Rhodococcus
opacus) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		7 GLY A  76
PRO A  77
TYR A 133
TYR A 167
ARG A 188
HIS A 191
HIS A 193
 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)
 0.33A 1tmxB-2boyA:
27.3		 1tmxB-2boyA:
23.99
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.
2boy 3-CHLOROCATECHOL
1,2-DIOXYGENASE

(Rhodococcus
opacus) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		6 LEU A  49
GLY A  76
TYR A 167
ARG A 188
HIS A 191
HIS A 193
 None
BHO  A1256 ( 3.7A)
FE  A1255 ( 4.3A)
BHO  A1256 (-3.4A)
FE  A1255 ( 3.2A)
FE  A1255 ( 3.4A)
 1.10A 1tmxB-2boyA:
27.3		 1tmxB-2boyA:
23.99
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.
2boy 3-CHLOROCATECHOL
1,2-DIOXYGENASE

(Rhodococcus
opacus) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 LEU A  49
TYR A 167
ILE A 169
HIS A 191
HIS A 193
 None
FE  A1255 ( 4.3A)
None
FE  A1255 ( 3.2A)
FE  A1255 ( 3.4A)
 1.16A 1tmxB-2boyA:
27.3		 1tmxB-2boyA:
23.99
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.
2boy 3-CHLOROCATECHOL
1,2-DIOXYGENASE

(Rhodococcus
opacus) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		6 PRO A  77
TYR A 133
TYR A 167
ILE A 169
HIS A 191
HIS A 193
 BHO  A1256 (-4.6A)
FE  A1255 ( 4.2A)
FE  A1255 ( 4.3A)
None
FE  A1255 ( 3.2A)
FE  A1255 ( 3.4A)
 0.97A 1tmxB-2boyA:
27.3		 1tmxB-2boyA:
23.99
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.
2e47 TIME INTERVAL
MEASURING ENZYME
TIME

(Bombyx mori) 		PF00080
(Sod_Cu) 		5 LEU A 103
ASP A 105
PRO A  78
HIS A  67
HIS A  75
 None
None
None
ZN  A 172 ( 3.1A)
ZN  A 172 (-3.1A)
 1.37A 1tmxB-2e47A:
undetectable		 1tmxB-2e47A:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ean CONNECTOR ENHANCER
OF KINASE SUPPRESSOR
OF RAS 2

(Homo sapiens) 		PF00536
(SAM_1) 		5 LEU A  27
GLY A  61
ILE A  66
HIS A  49
VAL A  57
 None
 1.12A 1tmxB-2eanA:
undetectable		 1tmxB-2eanA:
12.37
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.
2gre DEBLOCKING
AMINOPEPTIDASE

(Bacillus cereus) 		PF05343
(Peptidase_M42) 		5 LEU A  88
GLY A  74
ILE A 118
HIS A 184
VAL A  99
 None
 1.36A 1tmxB-2greA:
undetectable		 1tmxB-2greA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hnh DNA POLYMERASE III
ALPHA SUBUNIT

(Escherichia
coli) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 LEU A 557
ASP A 405
GLY A 361
PRO A 360
HIS A 760
 None
 1.42A 1tmxB-2hnhA:
undetectable		 1tmxB-2hnhA:
15.60
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.
2izv SUPPRESSOR OF
CYTOKINE SIGNALING 4

(Homo sapiens) 		PF00017
(SH2)
PF07525
(SOCS_box) 		5 LEU A 310
GLY A 289
TYR A 422
ILE A 281
HIS A 391
 None
CL  A1432 ( 4.0A)
EDO  A1431 ( 4.7A)
None
CL  A1432 ( 3.8A)
 1.41A 1tmxB-2izvA:
undetectable		 1tmxB-2izvA:
20.60
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.
2puz IMIDAZOLONEPROPIONAS
E

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		5 GLY A 212
PRO A 211
TYR A 204
ILE A 205
VAL A 242
 None
 1.26A 1tmxB-2puzA:
undetectable		 1tmxB-2puzA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q7x UPF0052 PROTEIN
SP_1565

(Streptococcus
pneumoniae) 		PF01933
(UPF0052) 		5 GLY A 192
PRO A 191
TYR A 220
ILE A 224
HIS A 239
 None
None
None
CL  A 326 (-4.4A)
None
 1.22A 1tmxB-2q7xA:
undetectable		 1tmxB-2q7xA:
24.79
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.
2rgh ALPHA-GLYCEROPHOSPHA
TE OXIDASE

(Streptococcus
sp.) 		PF01266
(DAO)
PF16901
(DAO_C) 		5 LEU A 492
ASP A 496
ILE A 500
ARG A 531
HIS A 554
 None
 1.40A 1tmxB-2rghA:
undetectable		 1tmxB-2rghA:
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] SMALL CHAIN

(Azospirillum
brasilense) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 GLY G 192
PRO G 191
TYR G  32
ILE G  97
ARG G  96
 None
None
None
FAD  G 484 (-3.5A)
None
 1.35A 1tmxB-2vdcG:
undetectable		 1tmxB-2vdcG:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w3z PUTATIVE DEACETYLASE

(Streptococcus
mutans) 		PF01522
(Polysacc_deac_1) 		5 LEU A 217
ASP A 238
TYR A 172
HIS A 170
HIS A 166
 None
None
None
ZN  A1312 ( 3.3A)
ZN  A1312 ( 3.3A)
 1.20A 1tmxB-2w3zA:
undetectable		 1tmxB-2w3zA:
21.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xsr CATECHOL 1,2
DIOXYGENASE

(Acinetobacter
radioresistens) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		7 GLY A 103
PRO A 104
TYR A 161
TYR A 195
ARG A 216
HIS A 219
HIS A 221
 None
None
FE  A1307 (-4.3A)
None
FE  A1307 ( 4.7A)
FE  A1307 (-3.3A)
FE  A1307 (-3.2A)
 0.49A 1tmxB-2xsrA:
27.0		 1tmxB-2xsrA:
30.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xsr CATECHOL 1,2
DIOXYGENASE

(Acinetobacter
radioresistens) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		6 GLY A 103
PRO A 104
TYR A 195
ARG A 216
HIS A 219
HIS A 221
 None
None
None
FE  A1307 ( 4.7A)
FE  A1307 (-3.3A)
FE  A1307 (-3.2A)
 1.45A 1tmxB-2xsrA:
27.0		 1tmxB-2xsrA:
30.98
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.
3bu7 GENTISATE
1,2-DIOXYGENASE

(Ruegeria
pomeroyi) 		PF07883
(Cupin_2) 		5 LEU A 103
ASP A 348
TYR A 298
HIS A 330
HIS A 292
 None
None
None
FE2  A 500 (-3.4A)
FE2  A 500 (-3.5A)
 1.34A 1tmxB-3bu7A:
undetectable		 1tmxB-3bu7A:
22.50
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.
3c7j TRANSCRIPTIONAL
REGULATOR, GNTR
FAMILY

(Pseudomonas
syringae group
genomosp. 3) 		PF00392
(GntR)
PF07729
(FCD) 		5 LEU A 179
ILE A 140
HIS A 192
HIS A 148
HIS A 214
 None
None
NI  A 301 (-3.5A)
NI  A 301 (-3.4A)
NI  A 301 (-3.4A)
 1.33A 1tmxB-3c7jA:
undetectable		 1tmxB-3c7jA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g5k PEPTIDE DEFORMYLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01327
(Pep_deformylase) 		5 GLY A 113
ILE A 167
HIS A 160
HIS A 156
VAL A 117
 BB2  A1001 (-3.7A)
None
CO  A1002 ( 3.3A)
CO  A1002 ( 3.2A)
None
 1.25A 1tmxB-3g5kA:
undetectable		 1tmxB-3g5kA:
19.87
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.
3gxk GOOSE-TYPE LYSOZYME
1

(Gadus morhua) 		PF01464
(SLT) 		5 ASP A 118
GLY A 122
TYR A 151
ILE A 117
VAL A  55
 None
 1.43A 1tmxB-3gxkA:
undetectable		 1tmxB-3gxkA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hv0 TRYPTOPHANYL-TRNA
SYNTHETASE

(Cryptosporidium
parvum) 		PF00579
(tRNA-synt_1b) 		5 LEU A 326
GLY A 282
PRO A 283
HIS A 289
HIS A 292
 None
TRP  A   1 (-3.7A)
None
None
None
 1.32A 1tmxB-3hv0A:
undetectable		 1tmxB-3hv0A:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4y CATECHOL
1,2-DIOXYGENASE

(Rhodococcus
opacus) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		6 GLY A 104
PRO A 105
TYR A 162
ARG A 217
HIS A 220
HIS A 222
 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)
 0.28A 1tmxB-3i4yA:
27.2		 1tmxB-3i4yA:
29.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4y CATECHOL
1,2-DIOXYGENASE

(Rhodococcus
opacus) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 LEU A  77
GLY A 104
ARG A 217
HIS A 220
HIS A 222
 35C  A   1 (-3.7A)
35C  A   1 (-3.0A)
35C  A   1 (-3.9A)
FE  A 281 ( 3.4A)
FE  A 281 ( 3.3A)
 0.99A 1tmxB-3i4yA:
27.2		 1tmxB-3i4yA:
29.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ica PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Porphyromonas
gingivalis) 		no annotation 5 LEU A 112
GLY A 180
TYR A 165
ILE A 114
VAL A 141
 None
 1.31A 1tmxB-3icaA:
undetectable		 1tmxB-3icaA:
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.
3jd8 NIEMANN-PICK C1
PROTEIN

(Homo sapiens) 		PF02460
(Patched)
PF12349
(Sterol-sensing)
PF16414
(NPC1_N) 		5 LEU A 547
GLY A 432
PRO A 434
HIS A 510
HIS A 418
 None
 1.22A 1tmxB-3jd8A:
undetectable		 1tmxB-3jd8A:
12.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lun ULILYSIN

(Methanosarcina
acetivorans) 		PF05572
(Peptidase_M43) 		5 LEU A 179
TYR A 292
ILE A 187
HIS A 238
HIS A 232
 None
ZN  A 999 ( 4.9A)
None
ZN  A 999 (-3.0A)
ZN  A 999 (-3.1A)
 1.39A 1tmxB-3lunA:
undetectable		 1tmxB-3lunA:
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.
3mnd SUPEROXIDE DISMUTASE
[CU-ZN]

(Taenia solium) 		PF00080
(Sod_Cu) 		5 LEU A  96
ASP A  98
PRO A  71
HIS A  60
HIS A  68
 None
None
None
ZN  A 153 ( 3.1A)
ZN  A 153 (-3.4A)
 1.40A 1tmxB-3mndA:
undetectable		 1tmxB-3mndA:
22.45
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 ASP A  80
GLY A 106
TYR A 160
HIS A 218
HIS A 234
 FLC  A 293 (-3.6A)
FLC  A 293 ( 4.3A)
FE  A 292 ( 4.3A)
FE  A 292 ( 3.2A)
None
 1.34A 1tmxB-3n9tA:
33.3		 1tmxB-3n9tA:
44.41
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) 		12 LEU A  77
ASP A  80
GLY A 106
PRO A 107
TYR A 160
TYR A 194
ILE A 196
ARG A 215
HIS A 218
HIS A 220
HIS A 234
VAL A 248
 FLC  A 293 (-4.4A)
FLC  A 293 (-3.6A)
FLC  A 293 ( 4.3A)
FLC  A 293 (-3.5A)
FE  A 292 ( 4.3A)
FLC  A 293 ( 4.0A)
FLC  A 293 (-4.1A)
FLC  A 293 (-4.3A)
FE  A 292 ( 3.2A)
FE  A 292 ( 3.1A)
None
FLC  A 293 (-4.7A)
 0.47A 1tmxB-3n9tA:
33.3		 1tmxB-3n9tA:
44.41
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) 		9 LEU A  77
ASP A  80
GLY A 106
PRO A 107
TYR A 194
ILE A 196
ARG A 215
HIS A 218
HIS A 234
 FLC  A 293 (-4.4A)
FLC  A 293 (-3.6A)
FLC  A 293 ( 4.3A)
FLC  A 293 (-3.5A)
FLC  A 293 ( 4.0A)
FLC  A 293 (-4.1A)
FLC  A 293 (-4.3A)
FE  A 292 ( 3.2A)
None
 1.21A 1tmxB-3n9tA:
33.3		 1tmxB-3n9tA:
44.41
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 LEU A  77
ASP A  80
TYR A 160
ILE A 196
HIS A 218
HIS A 234
VAL A 248
 FLC  A 293 (-4.4A)
FLC  A 293 (-3.6A)
FE  A 292 ( 4.3A)
FLC  A 293 (-4.1A)
FE  A 292 ( 3.2A)
None
FLC  A 293 (-4.7A)
 1.48A 1tmxB-3n9tA:
33.3		 1tmxB-3n9tA:
44.41
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 LEU A  77
PRO A 107
ILE A 196
ARG A 215
HIS A 220
HIS A 218
VAL A 248
 FLC  A 293 (-4.4A)
FLC  A 293 (-3.5A)
FLC  A 293 (-4.1A)
FLC  A 293 (-4.3A)
FE  A 292 ( 3.1A)
FE  A 292 ( 3.2A)
FLC  A 293 (-4.7A)
 1.48A 1tmxB-3n9tA:
33.3		 1tmxB-3n9tA:
44.41
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.
3t2c FRUCTOSE-1,6-BISPHOS
PHATE
ALDOLASE/PHOSPHATASE

(Pyrobaculum
neutrophilum) 		PF01950
(FBPase_3) 		5 LEU A  98
ASP A  96
GLY A 231
TYR A 358
HIS A  18
 None
MG  A 408 ( 4.1A)
13P  A 411 (-3.1A)
13P  A 412 (-4.1A)
MG  A 410 (-3.3A)
 1.26A 1tmxB-3t2cA:
undetectable		 1tmxB-3t2cA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3th1 CHLOROCATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		8 LEU A  48
ASP A  51
GLY A  75
PRO A  76
TYR A 130
TYR A 164
HIS A 188
HIS A 190
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.1A)
DTD  A 301 (-3.5A)
DTD  A 301 (-4.5A)
FE  A 300 (-3.9A)
DTD  A 301 ( 3.9A)
FE  A 300 (-3.5A)
FE  A 300 (-3.3A)
 0.80A 1tmxB-3th1A:
26.8		 1tmxB-3th1A:
28.81
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.
3th1 CHLOROCATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		7 LEU A  48
GLY A  75
PRO A  76
ILE A 166
ARG A 185
HIS A 190
HIS A 188
 DTD  A 301 ( 4.8A)
DTD  A 301 (-3.5A)
DTD  A 301 (-4.5A)
DTD  A 301 ( 4.5A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.3A)
FE  A 300 (-3.5A)
 1.49A 1tmxB-3th1A:
26.8		 1tmxB-3th1A:
28.81
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.
3th1 CHLOROCATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		9 LEU A  48
GLY A  75
PRO A  76
TYR A 130
TYR A 164
ILE A 166
ARG A 185
HIS A 188
HIS A 190
 DTD  A 301 ( 4.8A)
DTD  A 301 (-3.5A)
DTD  A 301 (-4.5A)
FE  A 300 (-3.9A)
DTD  A 301 ( 3.9A)
DTD  A 301 ( 4.5A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
FE  A 300 (-3.3A)
 0.61A 1tmxB-3th1A:
26.8		 1tmxB-3th1A:
28.81
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.
3th1 CHLOROCATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 LEU A  48
PRO A  76
TYR A 130
ILE A 166
HIS A 188
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.5A)
FE  A 300 (-3.9A)
DTD  A 301 ( 4.5A)
FE  A 300 (-3.5A)
 1.19A 1tmxB-3th1A:
26.8		 1tmxB-3th1A:
28.81
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.
3uss PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF05995
(CDO_I) 		5 LEU A 126
TYR A 159
ILE A  97
HIS A  91
HIS A  89
 None
SO4  A 215 (-4.6A)
None
FE2  A 212 ( 3.2A)
FE2  A 212 ( 3.2A)
 1.33A 1tmxB-3ussA:
undetectable		 1tmxB-3ussA:
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.
3vrk CARBONYL SULFIDE
HYDROLASE

(Thiobacillus
thioparus) 		PF00484
(Pro_CA) 		5 LEU A  80
GLY A 174
ILE A  92
HIS A  96
VAL A  42
 None
 1.36A 1tmxB-3vrkA:
undetectable		 1tmxB-3vrkA:
23.73
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.
3vte TETRAHYDROCANNABINOL
IC ACID SYNTHASE

(Cannabis sativa) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLY A 173
PRO A 172
ILE A 246
HIS A 184
VAL A 158
 None
None
None
FAD  A 607 (-3.8A)
None
 1.44A 1tmxB-3vteA:
undetectable		 1tmxB-3vteA:
16.82
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.
3wsv L-LACTATE
DEHYDROGENASE

(Enterococcus
mundtii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 306
ASP A 126
GLY A 176
TYR A 265
ILE A 270
 None
 1.36A 1tmxB-3wsvA:
undetectable		 1tmxB-3wsvA:
21.05
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.
3wsv L-LACTATE
DEHYDROGENASE

(Enterococcus
mundtii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 306
ASP A 126
GLY A 273
TYR A 265
ILE A 270
 None
 1.36A 1tmxB-3wsvA:
undetectable		 1tmxB-3wsvA:
21.05
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.
4ci8 ECHINODERM
MICROTUBULE-ASSOCIAT
ED PROTEIN-LIKE 1

(Homo sapiens) 		PF00400
(WD40)
PF03451
(HELP) 		5 LEU A 342
GLY A 289
ILE A 307
HIS A 270
HIS A 304
 None
 1.44A 1tmxB-4ci8A:
undetectable		 1tmxB-4ci8A:
18.17
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.
4ci8 ECHINODERM
MICROTUBULE-ASSOCIAT
ED PROTEIN-LIKE 1

(Homo sapiens) 		PF00400
(WD40)
PF03451
(HELP) 		5 LEU A 342
GLY A 289
TYR A 267
HIS A 270
HIS A 304
 None
 1.43A 1tmxB-4ci8A:
undetectable		 1tmxB-4ci8A:
18.17
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.
4dgk PHYTOENE
DEHYDROGENASE

(Pantoea
ananatis) 		PF01593
(Amino_oxidase) 		5 LEU A 223
ILE A  57
HIS A 323
HIS A 353
HIS A 322
 None
None
None
EDO  A 602 (-3.8A)
None
 1.13A 1tmxB-4dgkA:
undetectable		 1tmxB-4dgkA:
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.
4ell RETINOBLASTOMA-ASSOC
IATED PROTEIN

(Homo sapiens) 		PF01857
(RB_B)
PF01858
(RB_A) 		5 ASP A 421
TYR A 454
TYR A 453
ILE A 422
ARG A 418
 None
 1.33A 1tmxB-4ellA:
undetectable		 1tmxB-4ellA:
21.62
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.
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)
 0.37A 1tmxB-4iltA:
20.2		 1tmxB-4iltA:
23.97
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.
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)
 0.37A 1tmxB-4ilvA:
20.0		 1tmxB-4ilvA:
23.05
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.
4ilv INTRADIOL
RING-CLEAVAGE
DIOXYGENASE

(Streptomyces
sp. SirexAA-E) 		PF00775
(Dioxygenase_C) 		5 GLY A  85
TYR A 167
ARG A 170
HIS A 173
HIS A 175
 EDO  A 302 ( 4.2A)
FE  A 301 ( 4.5A)
EDO  A 302 (-3.8A)
FE  A 301 ( 3.3A)
FE  A 301 ( 3.4A)
 1.36A 1tmxB-4ilvA:
20.0		 1tmxB-4ilvA:
23.05
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.
4jhz BETA-GLUCURONIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 GLY A 294
TYR A 333
ILE A 349
ARG A 327
HIS A 330
 None
 1.38A 1tmxB-4jhzA:
3.0		 1tmxB-4jhzA:
19.67
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.
4jkl BETA-GLUCURONIDASE

(Streptococcus
agalactiae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 GLY A 293
TYR A 332
ILE A 348
ARG A 326
HIS A 329
 None
 1.33A 1tmxB-4jklA:
undetectable		 1tmxB-4jklA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jkm BETA-GLUCURONIDASE

(Clostridium
perfringens) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 GLY A 296
TYR A 335
ILE A 351
ARG A 329
HIS A 332
 None
 1.31A 1tmxB-4jkmA:
2.8		 1tmxB-4jkmA:
18.51
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.
4jkm BETA-GLUCURONIDASE

(Clostridium
perfringens) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 LEU A 361
GLY A 358
TYR A 423
ILE A 381
HIS A 387
 None
 1.32A 1tmxB-4jkmA:
2.8		 1tmxB-4jkmA:
18.51
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.
4myw ENVELOPE
GLYCOPROTEIN D

(Human
alphaherpesvirus
2) 		PF01537
(Herpes_glycop_D) 		5 ASP A  30
PRO A 225
TYR A 115
ARG A 130
VAL A  34
 None
 1.35A 1tmxB-4mywA:
undetectable		 1tmxB-4mywA:
22.81
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.
4ngu TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Desulfovibrio
alaskensis) 		PF03480
(DctP) 		5 GLY A 216
TYR A 190
ILE A 200
ARG A 180
VAL A 205
 None
None
None
DAL  A 403 (-3.0A)
None
 1.35A 1tmxB-4nguA:
undetectable		 1tmxB-4nguA:
23.86
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.
4yer ABC TRANSPORTER
ATP-BINDING PROTEIN

(Thermotoga
maritima) 		PF00005
(ABC_tran)
PF13732
(DUF4162) 		5 LEU A 159
GLY A  80
ILE A 146
HIS A 152
HIS A 101
 None
 1.25A 1tmxB-4yerA:
undetectable		 1tmxB-4yerA:
22.89
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.
4yg8 CHITIN BIOSYNTHESIS
PROTEIN CHS6

(Saccharomyces
cerevisiae) 		PF09295
(ChAPs) 		5 LEU B 201
GLY B 100
TYR B 134
ILE B  76
ARG B 186
 None
 1.36A 1tmxB-4yg8B:
undetectable		 1tmxB-4yg8B:
15.96
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.
4z3o DNA TOPOISOMERASE 4
SUBUNIT
B,PARE30-PARC55
FUSED TOPO IV FROM
S. PNEUMONIAE

(Streptococcus
pneumoniae) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		5 PRO A1039
TYR A1023
ARG A1028
HIS A1076
HIS A1074
 None
 1.44A 1tmxB-4z3oA:
undetectable		 1tmxB-4z3oA:
17.44
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.
4zch TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
13,TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
13B,TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
13B

(Homo sapiens) 		PF00229
(TNF) 		5 LEU A 431
TYR A 360
ILE A 429
HIS A 369
VAL A 325
 None
 1.37A 1tmxB-4zchA:
undetectable		 1tmxB-4zchA:
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.
4zo3 ACYLHOMOSERINE
LACTONASE

(Chryseobacterium
sp. StRB126) 		PF00753
(Lactamase_B) 		5 LEU A 124
ASP A  57
TYR A 255
ILE A  97
HIS A 305
 None
None
None
None
ZN  A 402 ( 3.3A)
 1.05A 1tmxB-4zo3A:
undetectable		 1tmxB-4zo3A:
22.69
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.
5g3f THERMUS THERMOPHILUS
MULTICOPPER OXIDASE

(Thermus
thermophilus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 LEU A 128
PRO A 401
HIS A  95
HIS A 396
HIS A  97
 None
None
CU  A1463 (-4.1A)
CU  A1463 ( 4.8A)
CU  A1465 (-3.1A)
 1.21A 1tmxB-5g3fA:
undetectable		 1tmxB-5g3fA:
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.
5hax NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		PF08801
(Nucleoporin_N) 		5 LEU A 261
GLY A 253
TYR A 274
ILE A 272
VAL A 208
 None
 1.14A 1tmxB-5haxA:
undetectable		 1tmxB-5haxA:
15.81
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.
5hif RECONSTRUCTED
LACTONASE ANCESTOR,
ANC1-MPH

(synthetic
construct) 		PF00753
(Lactamase_B) 		5 LEU A 269
GLY A 220
ILE A 223
HIS A 204
HIS A 114
 None
None
None
None
ZN  A 402 (-3.4A)
 1.30A 1tmxB-5hifA:
undetectable		 1tmxB-5hifA:
25.29
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.
5i1w CRMK

(Actinoalloteichus
sp. WH1-2216-6) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 LEU A 267
GLY A 139
PRO A 140
TYR A 108
HIS A 132
 None
FAD  A 601 ( 4.9A)
None
None
FAD  A 601 (-4.2A)
 1.26A 1tmxB-5i1wA:
undetectable		 1tmxB-5i1wA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ikk HISTONE DEACETYLASE
CLR3

(Schizosaccharomyces
pombe) 		PF00850
(Hist_deacetyl)
PF09757
(Arb2) 		5 LEU A 363
PRO A 191
HIS A  77
HIS A  68
VAL A  84
 None
None
ZN  A 703 (-2.8A)
ZN  A 703 (-3.2A)
None
 1.17A 1tmxB-5ikkA:
undetectable		 1tmxB-5ikkA:
18.03
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.
5nhs BIFUNCTIONAL PROTEIN
FOLD

(Xanthomonas
albilineans) 		no annotation 5 LEU A 147
GLY A 181
PRO A 183
ILE A 155
VAL A 218
 None
 1.12A 1tmxB-5nhsA:
undetectable		 1tmxB-5nhsA:
undetectable
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) 		6 GLY A 118
PRO A 119
TYR A 175
ARG A 232
HIS A 235
HIS A 237
 None
None
ZN  A 401 (-4.2A)
ZN  A 401 ( 4.7A)
ZN  A 401 (-3.2A)
ZN  A 401 (-3.1A)
 0.42A 1tmxB-5td3A:
27.3		 1tmxB-5td3A:
30.36
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) 		5 LEU A  84
GLY A 118
ARG A 232
HIS A 235
HIS A 237
 EDO  A 403 ( 4.6A)
None
ZN  A 401 ( 4.7A)
ZN  A 401 (-3.2A)
ZN  A 401 (-3.1A)
 0.85A 1tmxB-5td3A:
27.3		 1tmxB-5td3A:
30.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u5g 6-PHOSPHOGLUCONATE
DEHYDROGENASE

(Pseudomonas
syringae) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 LEU A 172
GLY A 167
ILE A 138
HIS A 108
VAL A 163
 None
 1.36A 1tmxB-5u5gA:
undetectable		 1tmxB-5u5gA:
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.
5umh CATECHOL
1,2-DIOXYGENASE

(Burkholderia
multivorans) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		7 GLY A 107
PRO A 108
TYR A 164
TYR A 200
ARG A 221
HIS A 224
HIS A 226
 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)
 0.38A 1tmxB-5umhA:
27.0		 1tmxB-5umhA:
27.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5umh CATECHOL
1,2-DIOXYGENASE

(Burkholderia
multivorans) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 GLY A 107
TYR A 200
ARG A 221
HIS A 224
HIS A 226
 EDO  A 402 (-3.6A)
ZN  A 401 ( 4.7A)
EDO  A 402 (-3.4A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 3.2A)
 1.42A 1tmxB-5umhA:
27.0		 1tmxB-5umhA:
27.30
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.35A 1tmxB-5vg2U:
17.4		 1tmxB-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
TYR U 163
ARG U 166
HIS U 169
HIS U 171
 None
FE  U 301 (-4.8A)
FE  U 301 ( 4.9A)
FE  U 301 (-3.5A)
FE  U 301 (-3.3A)
 1.40A 1tmxB-5vg2U:
17.4		 1tmxB-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.
6bo6 -

(-) 		no annotation 5 GLY A 307
TYR A 346
ILE A 362
ARG A 340
HIS A 343
 None
None
None
None
E0V  A 701 (-3.9A)
 1.32A 1tmxB-6bo6A:
undetectable		 1tmxB-6bo6A:
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
 1.16A 1tmxB-6g72E:
undetectable		 1tmxB-6g72E:
undetectable