SIMILAR PATTERNS OF AMINO ACIDS FOR 1TMX_A_BEZA881

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
1.32A 1tmxA-1b48A:
undetectable
1tmxA-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.
1dgj ALDEHYDE
OXIDOREDUCTASE


(Desulfovibrio
desulfuricans)
PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
5 LEU A 628
ASP A 632
GLY A 695
PRO A 696
VAL A 705
None
1.24A 1tmxA-1dgjA:
undetectable
1tmxA-1dgjA:
15.57
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.
1dj2 ADENYLOSUCCINATE
SYNTHETASE


(Arabidopsis
thaliana)
PF00709
(Adenylsucc_synt)
5 LEU A 270
GLY A 240
ARG A  50
HIS A  59
VAL A  91
None
None
None
GDP  A 500 (-3.2A)
None
1.31A 1tmxA-1dj2A:
undetectable
1tmxA-1dj2A:
20.48
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.
1dlm CATECHOL
1,2-DIOXYGENASE


(Acinetobacter
sp. ADP1)
PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N)
7 ASP A  81
GLY A 107
PRO A 108
TYR A 164
TYR A 200
HIS A 224
HIS A 226
None
None
None
FE  A 400 (-4.1A)
FE  A 400 (-4.4A)
FE  A 400 (-3.4A)
FE  A 400 (-3.1A)
0.97A 1tmxA-1dlmA:
27.8
1tmxA-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 ASP A  81
GLY A 107
PRO A 108
TYR A 200
HIS A 224
None
None
None
FE  A 400 (-4.4A)
FE  A 400 (-3.4A)
1.43A 1tmxA-1dlmA:
27.8
1tmxA-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)
7 GLY A 107
PRO A 108
TYR A 164
TYR A 200
ARG A 221
HIS A 224
HIS A 226
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)
0.55A 1tmxA-1dlmA:
27.8
1tmxA-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)
0.99A 1tmxA-1dlmA:
27.8
1tmxA-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)
0.33A 1tmxA-1eo9B:
11.9
1tmxA-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.
1lu4 SOLUBLE SECRETED
ANTIGEN MPT53


(Mycobacterium
tuberculosis)
PF00578
(AhpC-TSA)
5 LEU A1084
GLY A1019
TYR A1095
ILE A1091
ARG A1094
None
1.23A 1tmxA-1lu4A:
undetectable
1tmxA-1lu4A:
20.79
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.
1pgs PEPTIDE-N(4)-(N-ACET
YL-BETA-D-GLUCOSAMIN
YL)ASPARAGINE
AMIDASE F


(Elizabethkingia
meningoseptica)
PF09112
(N-glycanase_N)
PF09113
(N-glycanase_C)
5 GLY A 190
TYR A  62
ILE A  82
ARG A  80
VAL A 257
None
1.37A 1tmxA-1pgsA:
undetectable
1tmxA-1pgsA:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
0.30A 1tmxA-1s9aA:
28.4
1tmxA-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 LEU A  49
GLY A  76
TYR A 169
ARG A 191
HIS A 194
HIS A 196
BEZ  A 306 (-4.5A)
BEZ  A 306 ( 3.5A)
FE  A 300 ( 4.5A)
BEZ  A 306 (-3.8A)
FE  A 300 ( 3.2A)
FE  A 300 ( 3.4A)
1.05A 1tmxA-1s9aA:
28.4
1tmxA-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)
5 LEU A  49
TYR A 169
ILE A 171
HIS A 194
HIS A 196
BEZ  A 306 (-4.5A)
FE  A 300 ( 4.5A)
None
FE  A 300 ( 3.2A)
FE  A 300 ( 3.4A)
1.02A 1tmxA-1s9aA:
28.4
1tmxA-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)
0.82A 1tmxA-1s9aA:
28.4
1tmxA-1s9aA:
30.00
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
ILE A 199
HIS A 221
HIS A 237
None
BEZ  A 881 (-3.8A)
BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.1A)
FE  A 861 ( 3.3A)
None
1.43A 1tmxA-1tmxA:
42.9
1tmxA-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)
1.26A 1tmxA-1tmxA:
42.9
1tmxA-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)
11 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
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)
BEZ  A 881 ( 4.8A)
0.00A 1tmxA-1tmxA:
42.9
1tmxA-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.
1vpb PUTATIVE MODULATOR
OF DNA GYRASE


(Bacteroides
thetaiotaomicron)
PF01523
(PmbA_TldD)
5 LEU A 340
ASP A 284
GLY A 336
ILE A 309
ARG A 307
None
1.33A 1tmxA-1vpbA:
undetectable
1tmxA-1vpbA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.48A 1tmxA-1xp3A:
undetectable
1tmxA-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.
1zej 3-HYDROXYACYL-COA
DEHYDROGENASE


(Archaeoglobus
fulgidus)
PF00725
(3HCDH)
PF02737
(3HCDH_N)
5 LEU A 209
GLY A 249
TYR A 264
ILE A 212
VAL A 216
None
1.44A 1tmxA-1zejA:
undetectable
1tmxA-1zejA:
21.76
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.
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)
0.47A 1tmxA-2azqA:
27.3
1tmxA-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.
2azq CATECHOL
1,2-DIOXYGENASE


(Pseudomonas
putida)
PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N)
5 LEU A  72
GLY A 106
ARG A 217
HIS A 220
HIS A 222
None
None
FE  A 400 (-4.2A)
FE  A 400 (-3.6A)
FE  A 400 (-3.2A)
0.94A 1tmxA-2azqA:
27.3
1tmxA-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)
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)
0.40A 1tmxA-2boyA:
27.8
1tmxA-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)
0.96A 1tmxA-2boyA:
27.8
1tmxA-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
TYR A 167
ILE A 169
ARG A 188
HIS A 191
HIS A 193
None
FE  A1255 ( 4.3A)
None
BHO  A1256 (-3.4A)
FE  A1255 ( 3.2A)
FE  A1255 ( 3.4A)
1.06A 1tmxA-2boyA:
27.8
1tmxA-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 PRO A  77
TYR A 133
TYR A 167
ILE A 169
ARG A 188
HIS A 191
HIS A 193
BHO  A1256 (-4.6A)
FE  A1255 ( 4.2A)
FE  A1255 ( 4.3A)
None
BHO  A1256 (-3.4A)
FE  A1255 ( 3.2A)
FE  A1255 ( 3.4A)
0.92A 1tmxA-2boyA:
27.8
1tmxA-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.
2ddh ACYL-COA OXIDASE

(Rattus
norvegicus)
PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N)
5 LEU A 240
GLY A 181
ILE A 209
ARG A 210
HIS A 215
None
1.28A 1tmxA-2ddhA:
undetectable
1tmxA-2ddhA:
18.48
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.
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
1.04A 1tmxA-2eanA:
undetectable
1tmxA-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.
2ef4 ARGINASE

(Thermus
thermophilus)
PF00491
(Arginase)
5 LEU A 268
PRO A 233
ARG A  18
HIS A 136
VAL A  20
None
1.13A 1tmxA-2ef4A:
undetectable
1tmxA-2ef4A:
24.06
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.
2ei0 1,2-DIHYDROXYNAPHTHA
LENE DIOXYGENASE


(Pseudomonas sp.
C18)
PF00903
(Glyoxalase)
5 LEU A  31
GLY A 268
PRO A 267
TYR A 256
HIS A 152
None
None
None
BP7  A 400 ( 4.7A)
FE2  A 399 ( 3.4A)
1.37A 1tmxA-2ei0A:
undetectable
1tmxA-2ei0A:
23.12
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.
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
1.15A 1tmxA-2greA:
undetectable
1tmxA-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
1.41A 1tmxA-2hnhA:
undetectable
1tmxA-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)
1.37A 1tmxA-2izvA:
undetectable
1tmxA-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
1.29A 1tmxA-2puzA:
undetectable
1tmxA-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
1.29A 1tmxA-2q7xA:
undetectable
1tmxA-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.
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
1.38A 1tmxA-2vdcG:
undetectable
1tmxA-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.
2vk9 ALPHA-TOXIN

(Clostridium
novyi)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
5 LEU A 139
ASP A 202
GLY A 106
ILE A 205
VAL A 201
None
1.45A 1tmxA-2vk9A:
undetectable
1tmxA-2vk9A:
17.84
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)
0.59A 1tmxA-2xsrA:
27.7
1tmxA-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)
5 LEU A  69
GLY A 103
ARG A 216
HIS A 219
HIS A 221
None
None
FE  A1307 ( 4.7A)
FE  A1307 (-3.3A)
FE  A1307 (-3.2A)
0.99A 1tmxA-2xsrA:
27.7
1tmxA-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.
3dwc METALLOCARBOXYPEPTID
ASE


(Trypanosoma
cruzi)
PF02074
(Peptidase_M32)
5 LEU A 431
GLY A 297
ILE A 464
HIS A 295
HIS A 269
None
None
None
None
CO  A 999 (-3.5A)
1.48A 1tmxA-3dwcA:
undetectable
1tmxA-3dwcA:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3euf URIDINE
PHOSPHORYLASE 1


(Homo sapiens)
PF01048
(PNP_UDP_1)
5 LEU A 307
GLY A 101
PRO A 102
ILE A 303
VAL A  72
None
1.12A 1tmxA-3eufA:
undetectable
1tmxA-3eufA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.47A 1tmxA-3gxkA:
undetectable
1tmxA-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
1.46A 1tmxA-3hv0A:
undetectable
1tmxA-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)
0.41A 1tmxA-3i4yA:
27.3
1tmxA-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)
0.98A 1tmxA-3i4yA:
27.3
1tmxA-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.
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
1.33A 1tmxA-3jd8A:
undetectable
1tmxA-3jd8A:
12.49
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)
10 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
VAL A 248
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)
FLC  A 293 (-4.7A)
0.49A 1tmxA-3n9tA:
33.0
1tmxA-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)
8 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 (-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
1.30A 1tmxA-3n9tA:
33.0
1tmxA-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)
6 LEU A  77
ASP A  80
TYR A 160
ILE A 196
HIS A 218
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)
FLC  A 293 (-4.7A)
1.47A 1tmxA-3n9tA:
33.0
1tmxA-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
TYR A 160
TYR A 194
ILE A 196
ARG A 215
HIS A 218
HIS A 220
VAL A 248
FLC  A 293 (-4.4A)
FLC  A 293 (-3.6A)
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)
FLC  A 293 (-4.7A)
0.52A 1tmxA-3n9tA:
33.0
1tmxA-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 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 ( 4.0A)
FLC  A 293 (-4.1A)
FLC  A 293 (-4.3A)
FE  A 292 ( 3.2A)
None
1.39A 1tmxA-3n9tA:
33.0
1tmxA-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.
3p8c WISKOTT-ALDRICH
SYNDROME PROTEIN
FAMILY MEMBER 1
PROBABLE PROTEIN
BRICK1
ABL INTERACTOR 2


(Homo sapiens;
Homo sapiens;
Homo sapiens)
PF02205
(WH2)
no annotation
PF07815
(Abi_HHR)
5 LEU D  76
TYR E  63
ILE E  64
ARG E  67
VAL F  97
None
1.32A 1tmxA-3p8cD:
undetectable
1tmxA-3p8cD:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s0m OXALATE
DECARBOXYLASE OXDC


(Bacillus
subtilis)
PF00190
(Cupin_1)
5 LEU A 329
ARG A 270
HIS A 273
HIS A 319
VAL A 262
None
None
MN  A 501 (-3.5A)
MN  A 501 (-3.4A)
None
1.41A 1tmxA-3s0mA:
undetectable
1tmxA-3s0mA:
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.
3ssz MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN


(Rhodobacteraceae
bacterium KLH11)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 LEU A 143
ASP A 142
GLY A 317
TYR A 311
ILE A 319
None
1.45A 1tmxA-3sszA:
undetectable
1tmxA-3sszA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
1.02A 1tmxA-3th1A:
26.8
1tmxA-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)
0.78A 1tmxA-3th1A:
26.8
1tmxA-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)
6 LEU A  48
PRO A  76
TYR A 130
ILE A 166
ARG A 185
HIS A 188
DTD  A 301 ( 4.8A)
DTD  A 301 (-4.5A)
FE  A 300 (-3.9A)
DTD  A 301 ( 4.5A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
1.37A 1tmxA-3th1A:
26.8
1tmxA-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.
3u9r METHYLCROTONYL-COA
CARBOXYLASE,
BETA-SUBUNIT


(Pseudomonas
aeruginosa)
PF01039
(Carboxyl_trans)
5 ASP B 137
GLY B  66
ARG B  84
HIS B  64
VAL B 120
None
1.41A 1tmxA-3u9rB:
undetectable
1tmxA-3u9rB:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.48A 1tmxA-3vteA:
undetectable
1tmxA-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.
4f52 CULLIN-1

(Homo sapiens)
PF00888
(Cullin)
5 LEU A 540
ASP A 510
TYR A 570
HIS A 574
VAL A 513
None
1.35A 1tmxA-4f52A:
undetectable
1tmxA-4f52A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
0.53A 1tmxA-4iltA:
19.1
1tmxA-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)
0.36A 1tmxA-4ilvA:
19.0
1tmxA-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.
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
1.36A 1tmxA-4jkmA:
undetectable
1tmxA-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
1.31A 1tmxA-4mywA:
undetectable
1tmxA-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.
4qdv M7GPPPX
DIPHOSPHATASE


(Homo sapiens)
PF05652
(DcpS)
PF11969
(DcpS_C)
5 GLY A 289
PRO A 288
TYR A 217
HIS A 279
HIS A 268
None
None
None
PO4  A 402 (-4.0A)
PO4  A 402 ( 3.8A)
1.46A 1tmxA-4qdvA:
undetectable
1tmxA-4qdvA:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rkz PUTATIVE
UNCHARACTERIZED
PROTEIN TA1305


(Thermoplasma
acidophilum)
no annotation 5 LEU A 242
GLY A  20
ILE A 241
ARG A 204
HIS A  32
None
1.39A 1tmxA-4rkzA:
undetectable
1tmxA-4rkzA:
23.29
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.
5dud YBGJ

(Escherichia
coli)
PF02682
(CT_C_D)
5 LEU B 191
GLY B 171
TYR B 125
ILE B  90
HIS B 120
None
1.40A 1tmxA-5dudB:
undetectable
1tmxA-5dudB:
24.01
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.
5hns NIEMANN-PICK C1
PROTEIN


(Homo sapiens)
no annotation 5 LEU A 547
GLY A 432
PRO A 434
HIS A 510
HIS A 418
None
1.39A 1tmxA-5hnsA:
undetectable
1tmxA-5hnsA:
23.20
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.
5mdh MALATE DEHYDROGENASE

(Sus scrofa)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
5 LEU A 170
GLY A 207
TYR A 209
ILE A 166
VAL A 177
None
1.47A 1tmxA-5mdhA:
undetectable
1tmxA-5mdhA:
22.25
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)
0.53A 1tmxA-5td3A:
27.8
1tmxA-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)
6 LEU A  84
GLY A 118
TYR A 175
ARG A 232
HIS A 235
HIS A 237
EDO  A 403 ( 4.6A)
None
ZN  A 401 (-4.2A)
ZN  A 401 ( 4.7A)
ZN  A 401 (-3.2A)
ZN  A 401 (-3.1A)
0.87A 1tmxA-5td3A:
27.8
1tmxA-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.
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)
0.39A 1tmxA-5umhA:
27.5
1tmxA-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 LEU A  73
GLY A 107
ARG A 221
HIS A 224
HIS A 226
None
EDO  A 402 (-3.6A)
EDO  A 402 (-3.4A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 3.2A)
0.93A 1tmxA-5umhA:
27.5
1tmxA-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)
0.40A 1tmxA-5vg2U:
16.6
1tmxA-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.
5x9r CITRATE-SODIUM
SYMPORTER


(Klebsiella
pneumoniae)
PF03390
(2HCT)
5 LEU A 408
ASP A 407
GLY A 403
ILE A 121
HIS A 299
None
None
FLC  A 501 ( 3.8A)
None
None
1.19A 1tmxA-5x9rA:
undetectable
1tmxA-5x9rA:
20.75
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.
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
1.09A 1tmxA-6g72E:
undetectable
1tmxA-6g72E:
undetectable