SIMILAR PATTERNS OF AMINO ACIDS FOR 3HGI_A_BEZA284

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)
 0.61A 3hgiA-1dlmA:
27.8		 3hgiA-1dlmA:
30.62
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) 		7 LEU A  73
ILE A 105
GLY A 107
PRO A 108
TYR A 164
HIS A 224
HIS A 226
 None
None
None
None
FE  A 400 (-4.1A)
FE  A 400 (-3.4A)
FE  A 400 (-3.1A)
 0.40A 3hgiA-1dlmA:
27.8		 3hgiA-1dlmA:
30.62
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.
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 3hgiA-1eo9B:
12.1		 3hgiA-1eo9B:
27.78
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.
1ijq LOW-DENSITY
LIPOPROTEIN RECEPTOR

(Homo sapiens) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		5 LEU A 554
ASP A 568
VAL A 569
GLY A 572
TYR A 532
 None
 1.37A 3hgiA-1ijqA:
undetectable		 3hgiA-1ijqA:
18.84
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.
1jhw MACROPHAGE CAPPING
PROTEIN

(Homo sapiens) 		PF00626
(Gelsolin) 		5 LEU A  88
ASP A  85
PRO A  92
HIS A  62
HIS A  95
 None
 1.40A 3hgiA-1jhwA:
undetectable		 3hgiA-1jhwA:
21.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s9a CHLOROCATECHOL
1,2-DIOXYGENASE

(Rhodococcus
opacus) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		10 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
 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)
 0.36A 3hgiA-1s9aA:
30.7		 3hgiA-1s9aA:
38.81
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.
1svd RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE/OXYGENAS
E LARGE SUBUNIT

(Halothiobacillus
neapolitanus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 LEU A 342
ASP A 340
ILE A 355
GLY A 337
HIS A 303
 None
 1.19A 3hgiA-1svdA:
undetectable		 3hgiA-1svdA:
18.99
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.
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)
 0.39A 3hgiA-1tmxA:
27.7		 3hgiA-1tmxA:
29.41
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.
1tmx HYDROXYQUINOL
1,2-DIOXYGENASE

(Pimelobacter
simplex) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		6 LEU A  80
GLY A 109
TYR A 197
ARG A 218
HIS A 221
HIS A 223
 None
BEZ  A 881 (-3.5A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-3.8A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
 0.87A 3hgiA-1tmxA:
27.7		 3hgiA-1tmxA:
29.41
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.
1tmx HYDROXYQUINOL
1,2-DIOXYGENASE

(Pimelobacter
simplex) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 LEU A  80
VAL A 251
GLY A 109
TYR A 197
HIS A 223
 None
BEZ  A 881 ( 4.8A)
BEZ  A 881 (-3.5A)
FE  A 861 ( 4.4A)
FE  A 861 ( 3.4A)
 1.40A 3hgiA-1tmxA:
27.7		 3hgiA-1tmxA:
29.41
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.
1tmx HYDROXYQUINOL
1,2-DIOXYGENASE

(Pimelobacter
simplex) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 VAL A 251
GLY A 109
TYR A 164
TYR A 197
HIS A 223
 BEZ  A 881 ( 4.8A)
BEZ  A 881 (-3.5A)
FE  A 861 (-4.2A)
FE  A 861 ( 4.4A)
FE  A 861 ( 3.4A)
 1.23A 3hgiA-1tmxA:
27.7		 3hgiA-1tmxA:
29.41
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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 LEU A 102
ASP A  98
VAL A  97
ILE A 139
GLY A 147
 None
 1.08A 3hgiA-1xc6A:
undetectable		 3hgiA-1xc6A:
14.27
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.
1y56 HYPOTHETICAL PROTEIN
PH1363
SARCOSINE OXIDASE

(Pyrococcus
horikoshii;
Pyrococcus
horikoshii) 		PF07992
(Pyr_redox_2)
PF13510
(Fer2_4)
PF01266
(DAO) 		5 LEU A 182
VAL A 196
ILE A 202
PRO A 194
TYR B 278
 None
 1.35A 3hgiA-1y56A:
undetectable		 3hgiA-1y56A:
19.49
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.
2a6y EMP47P (FORM1)

(Saccharomyces
cerevisiae) 		PF03388
(Lectin_leg-like) 		5 LEU A 131
ASP A 133
ILE A 245
GLY A 134
TYR A 110
 None
 1.34A 3hgiA-2a6yA:
undetectable		 3hgiA-2a6yA:
23.96
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)
 0.52A 3hgiA-2azqA:
27.9		 3hgiA-2azqA:
32.68
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)
 0.60A 3hgiA-2azqA:
27.9		 3hgiA-2azqA:
32.68
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) 		5 ASP A  52
ILE A  74
GLY A  76
PRO A  77
TYR A 167
 None
None
BHO  A1256 ( 3.7A)
BHO  A1256 (-4.6A)
FE  A1255 ( 4.3A)
 1.14A 3hgiA-2boyA:
31.9		 3hgiA-2boyA:
44.52
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) 		12 LEU A  49
ASP A  52
VAL A  53
ILE A  74
GLY A  76
PRO A  77
TYR A  78
TYR A 133
TYR A 167
ARG A 188
HIS A 191
HIS A 193
 None
None
BHO  A1256 (-4.0A)
None
BHO  A1256 ( 3.7A)
BHO  A1256 (-4.6A)
BHO  A1256 (-4.1A)
FE  A1255 ( 4.2A)
FE  A1255 ( 4.3A)
BHO  A1256 (-3.4A)
FE  A1255 ( 3.2A)
FE  A1255 ( 3.4A)
 0.51A 3hgiA-2boyA:
31.9		 3hgiA-2boyA:
44.52
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.
2dv6 NITRITE REDUCTASE

(Hyphomicrobium
denitrificans) 		PF07732
(Cu-oxidase_3) 		5 LEU A 327
ILE A 269
GLY A 272
TYR A 185
TYR A 183
 None
 1.35A 3hgiA-2dv6A:
undetectable		 3hgiA-2dv6A:
18.75
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.
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
 1.20A 3hgiA-2f00A:
undetectable		 3hgiA-2f00A:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hih LIPASE 46 KDA FORM

(Staphylococcus
hyicus) 		no annotation 5 ASP A  87
VAL A  86
GLY A  89
TYR A 136
HIS A  71
 None
 1.36A 3hgiA-2hihA:
undetectable		 3hgiA-2hihA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q9t DING

(Pseudomonas
fluorescens) 		PF12849
(PBP_like_2) 		5 LEU A 108
ASP A 107
VAL A 106
GLY A 238
TYR A 287
 None
EDO  A 910 (-3.6A)
None
None
None
 1.42A 3hgiA-2q9tA:
undetectable		 3hgiA-2q9tA:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v3b RUBREDOXIN REDUCTASE

(Pseudomonas
aeruginosa) 		PF07992
(Pyr_redox_2) 		5 LEU A 275
VAL A 106
ILE A  10
GLY A  11
TYR A  17
 None
None
FAD  A1385 (-4.7A)
FAD  A1385 (-3.4A)
None
 1.41A 3hgiA-2v3bA:
undetectable		 3hgiA-2v3bA:
23.45
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) 		7 ILE A 101
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)
 0.58A 3hgiA-2xsrA:
28.3		 3hgiA-2xsrA:
29.30
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.
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)
 0.54A 3hgiA-2xsrA:
28.3		 3hgiA-2xsrA:
29.30
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.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		5 LEU A 278
ILE A 237
GLY A 273
TYR A 309
ARG A 274
 None
 1.08A 3hgiA-3b1rA:
undetectable		 3hgiA-3b1rA:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bjv RMPA

(Streptococcus
mutans) 		PF00359
(PTS_EIIA_2) 		5 VAL A  30
PRO A  67
TYR A  58
TYR A  57
HIS A  68
 None
 1.41A 3hgiA-3bjvA:
undetectable		 3hgiA-3bjvA:
23.93
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.
3co8 ALANINE RACEMASE

(Oenococcus oeni) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 LEU A  18
VAL A  22
GLY A 228
TYR A 227
TYR A  43
 None
None
None
None
PLP  A 401 (-4.6A)
 1.32A 3hgiA-3co8A:
undetectable		 3hgiA-3co8A:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dip ENOLASE

(unidentified) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  69
ASP A  90
VAL A  89
ILE A  91
GLY A 299
 None
 1.07A 3hgiA-3dipA:
undetectable		 3hgiA-3dipA:
22.52
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) 		5 ASP A  80
VAL A  81
GLY A 104
TYR A 162
TYR A 196
 None
35C  A   1 (-4.7A)
35C  A   1 (-3.0A)
35C  A   1 ( 4.2A)
35C  A   1 (-3.6A)
 1.27A 3hgiA-3i4yA:
36.8		 3hgiA-3i4yA:
100.00
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) 		11 LEU A  77
ASP A  80
VAL A  81
ILE A 102
GLY A 104
PRO A 105
TYR A 106
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 (-4.7A)
35C  A   1 (-3.0A)
35C  A   1 (-4.7A)
35C  A   1 (-4.3A)
35C  A   1 ( 4.2A)
35C  A   1 (-3.9A)
FE  A 281 ( 3.4A)
FE  A 281 ( 3.3A)
 0.33A 3hgiA-3i4yA:
36.8		 3hgiA-3i4yA:
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.
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)
 1.34A 3hgiA-3imhA:
undetectable		 3hgiA-3imhA:
22.99
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.
3k4h PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Bacillus
cytotoxicus) 		PF13377
(Peripla_BP_3) 		5 LEU A 211
ASP A 221
VAL A 218
HIS A 131
HIS A 287
 None
 1.35A 3hgiA-3k4hA:
undetectable		 3hgiA-3k4hA:
21.56
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.
3kd6 CARBOHYDRATE KINASE,
PFKB FAMILY

(Chlorobaculum
tepidum) 		PF00294
(PfkB) 		5 LEU A  25
ILE A  14
GLY A 277
PRO A 278
TYR A 279
 None
 1.39A 3hgiA-3kd6A:
undetectable		 3hgiA-3kd6A:
24.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ktc XYLOSE ISOMERASE

(Pectobacterium
atrosepticum) 		PF01261
(AP_endonuc_2) 		5 LEU A  13
ASP A  51
VAL A  50
ILE A  77
GLY A  78
 None
 1.08A 3hgiA-3ktcA:
undetectable		 3hgiA-3ktcA:
22.75
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.
3kx2 PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE PRP43

(Saccharomyces
cerevisiae) 		no annotation 5 LEU B 310
ILE B 416
GLY B 395
PRO B 394
TYR B 286
 None
 1.38A 3hgiA-3kx2B:
undetectable		 3hgiA-3kx2B:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kxp ALPHA-(N-ACETYLAMINO
METHYLENE)SUCCINIC
ACID HYDROLASE

(Mesorhizobium
loti) 		PF12697
(Abhydrolase_6) 		5 LEU A  24
ASP A  65
VAL A  64
GLY A  70
TYR A  84
 None
 1.32A 3hgiA-3kxpA:
undetectable		 3hgiA-3kxpA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.25A 3hgiA-3l1wA:
undetectable		 3hgiA-3l1wA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m0c LOW-DENSITY
LIPOPROTEIN RECEPTOR

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00058
(Ldl_recept_b)
PF07645
(EGF_CA)
PF14670
(FXa_inhibition) 		5 LEU C 554
ASP C 568
VAL C 569
GLY C 572
TYR C 532
 None
 1.38A 3hgiA-3m0cC:
undetectable		 3hgiA-3m0cC:
16.20
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.
3mnd SUPEROXIDE DISMUTASE
[CU-ZN]

(Taenia solium) 		PF00080
(Sod_Cu) 		5 VAL A 118
ILE A 116
GLY A  41
HIS A  45
HIS A  43
 None
None
None
CU  A 155 (-3.5A)
CU  A 155 (-3.1A)
 1.17A 3hgiA-3mndA:
undetectable		 3hgiA-3mndA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n2c PROLIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 VAL A 295
ILE A 202
GLY A 194
HIS A 249
HIS A 229
 None
None
LWY  A 427 (-3.5A)
ZN  A 426 ( 3.8A)
ZN  A 426 ( 3.2A)
 0.95A 3hgiA-3n2cA:
undetectable		 3hgiA-3n2cA:
20.09
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)
 0.34A 3hgiA-3n9tA:
27.9		 3hgiA-3n9tA:
31.13
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 GLY A 106
PRO A 107
TYR A 194
ARG A 215
HIS A 218
HIS A 234
 FLC  A 293 ( 4.3A)
FLC  A 293 (-3.5A)
FLC  A 293 ( 4.0A)
FLC  A 293 (-4.3A)
FE  A 292 ( 3.2A)
None
 1.39A 3hgiA-3n9tA:
27.9		 3hgiA-3n9tA:
31.13
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
GLY A 106
TYR A 194
ARG A 215
HIS A 218
HIS A 220
 FLC  A 293 (-4.4A)
FLC  A 293 ( 4.3A)
FLC  A 293 ( 4.0A)
FLC  A 293 (-4.3A)
FE  A 292 ( 3.2A)
FE  A 292 ( 3.1A)
 0.89A 3hgiA-3n9tA:
27.9		 3hgiA-3n9tA:
31.13
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.
3o7w LEUCINE CARBOXYL
METHYLTRANSFERASE 1

(Homo sapiens) 		PF04072
(LCM) 		5 LEU A  97
ASP A 122
VAL A 121
GLY A 100
TYR A 118
 None
SAM  A 801 (-2.7A)
None
SAM  A 801 ( 3.7A)
None
 1.37A 3hgiA-3o7wA:
undetectable		 3hgiA-3o7wA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o98 BIFUNCTIONAL
GLUTATHIONYLSPERMIDI
NE
SYNTHETASE/AMIDASE

(Escherichia
coli) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		5 LEU A 419
ASP A 477
VAL A 478
ILE A 464
ARG A 481
 None
 1.36A 3hgiA-3o98A:
undetectable		 3hgiA-3o98A:
18.90
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.
3ogr BETA-GALACTOSIDASE

(Trichoderma
reesei) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 LEU A 102
ASP A  98
VAL A  97
ILE A 139
GLY A 147
 None
 1.08A 3hgiA-3ogrA:
undetectable		 3hgiA-3ogrA:
15.37
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.
3pc3 CG1753, ISOFORM A

(Drosophila
melanogaster) 		PF00291
(PALP)
PF00571
(CBS) 		5 LEU A  50
ASP A  89
ILE A 121
GLY A  84
PRO A  83
 None
 1.34A 3hgiA-3pc3A:
undetectable		 3hgiA-3pc3A:
19.22
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.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 LEU A 400
ILE A 416
GLY A 415
TYR A 155
TYR A 515
 None
 1.37A 3hgiA-3pocA:
undetectable		 3hgiA-3pocA:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q4n UNCHARACTERIZED
PROTEIN MJ0754

(Methanocaldococcus
jannaschii) 		PF09968
(DUF2202) 		5 LEU A  30
ASP A  33
VAL A  34
ILE A  79
GLY A  80
 None
 0.93A 3hgiA-3q4nA:
undetectable		 3hgiA-3q4nA:
20.07
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.
3q4o UNCHARACTERIZED
PROTEIN MJ0754

(Methanocaldococcus
jannaschii) 		PF09968
(DUF2202) 		5 LEU A  30
ASP A  33
VAL A  34
ILE A  79
GLY A  80
 None
 0.99A 3hgiA-3q4oA:
undetectable		 3hgiA-3q4oA:
19.78
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.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 LEU A 349
GLY A 455
PRO A 456
HIS A 169
HIS A 454
 None
 1.37A 3hgiA-3rimA:
undetectable		 3hgiA-3rimA:
19.14
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.
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
 1.20A 3hgiA-3rimA:
undetectable		 3hgiA-3rimA:
19.14
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 ASP A  51
ILE A  73
PRO A  76
TYR A 130
TYR A 164
ARG A 185
HIS A 188
 DTD  A 301 (-4.1A)
DTD  A 301 (-4.9A)
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)
 0.89A 3hgiA-3th1A:
29.5		 3hgiA-3th1A:
35.47
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  77
TYR A 130
TYR A 164
ARG A 185
HIS A 188
HIS A 190
 DTD  A 301 (-4.9A)
DTD  A 301 (-3.5A)
DTD  A 301 (-4.5A)
None
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)
 0.69A 3hgiA-3th1A:
29.5		 3hgiA-3th1A:
35.47
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
PRO A  76
TYR A 164
ARG A 185
HIS A 188
 DTD  A 301 ( 4.8A)
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)
 0.97A 3hgiA-3th1A:
29.5		 3hgiA-3th1A:
35.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3th1 CHLOROCATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 LEU A  48
ASP A  51
VAL A  52
ILE A  73
ARG A 185
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.1A)
None
DTD  A 301 (-4.9A)
DTD  A 301 (-4.2A)
 0.73A 3hgiA-3th1A:
29.5		 3hgiA-3th1A:
35.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3th1 CHLOROCATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 LEU A  48
ASP A  51
VAL A  52
ILE A  73
TYR A 164
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.1A)
None
DTD  A 301 (-4.9A)
DTD  A 301 ( 3.9A)
 1.18A 3hgiA-3th1A:
29.5		 3hgiA-3th1A:
35.47
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 LEU A  48
ILE A  73
GLY A  75
PRO A  76
TYR A 164
ARG A 185
HIS A 188
HIS A 190
 DTD  A 301 ( 4.8A)
DTD  A 301 (-4.9A)
DTD  A 301 (-3.5A)
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)
 0.90A 3hgiA-3th1A:
29.5		 3hgiA-3th1A:
35.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3th1 CHLOROCATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 LEU A  48
VAL A  52
ILE A  73
ARG A 185
HIS A 188
 DTD  A 301 ( 4.8A)
None
DTD  A 301 (-4.9A)
DTD  A 301 (-4.2A)
FE  A 300 (-3.5A)
 1.27A 3hgiA-3th1A:
29.5		 3hgiA-3th1A:
35.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3th1 CHLOROCATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 LEU A  48
VAL A  52
ILE A  73
TYR A 164
HIS A 188
 DTD  A 301 ( 4.8A)
None
DTD  A 301 (-4.9A)
DTD  A 301 ( 3.9A)
FE  A 300 (-3.5A)
 1.17A 3hgiA-3th1A:
29.5		 3hgiA-3th1A:
35.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wst PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Caenorhabditis
elegans) 		PF13649
(Methyltransf_25) 		5 LEU A 186
ASP A 265
VAL A 181
ILE A 264
TYR A 307
 None
 1.07A 3hgiA-3wstA:
undetectable		 3hgiA-3wstA:
17.75
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.
4c7u SUPEROXIDE DISMUTASE
[MN] 1,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 LEU A 181
VAL A 184
ILE A  18
TYR A 169
HIS A  26
 None
None
None
None
MN  A 302 (-3.4A)
 1.20A 3hgiA-4c7uA:
undetectable		 3hgiA-4c7uA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4csi CELLULASE

(Humicola grisea) 		PF00840
(Glyco_hydro_7) 		5 ASP A  74
VAL A  73
GLY A  75
TYR A  78
HIS A  11
 None
PCA  A   1 ( 4.9A)
None
None
None
 1.30A 3hgiA-4csiA:
undetectable		 3hgiA-4csiA:
20.83
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.
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
 1.20A 3hgiA-4e3eA:
undetectable		 3hgiA-4e3eA:
22.73
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.
4gf8 PEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Vibrio cholerae) 		PF00496
(SBP_bac_5) 		5 VAL A 250
ILE A 480
TYR A 409
TYR A 418
TYR A 423
 None
 1.39A 3hgiA-4gf8A:
undetectable		 3hgiA-4gf8A:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ilt INTRADIOL
RING-CLEAVAGE
DIOXYGENASE

(Streptomyces
sp. SirexAA-E) 		PF00775
(Dioxygenase_C) 		7 GLY A  85
PRO A  86
TYR A  87
TYR A 138
ARG A 170
HIS A 173
HIS A 175
 None
None
None
FE  A 301 (-3.9A)
FE  A 301 ( 4.8A)
FE  A 301 (-3.1A)
FE  A 301 (-3.2A)
 0.53A 3hgiA-4iltA:
21.1		 3hgiA-4iltA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ilv INTRADIOL
RING-CLEAVAGE
DIOXYGENASE

(Streptomyces
sp. SirexAA-E) 		PF00775
(Dioxygenase_C) 		8 GLY A  85
PRO A  86
TYR A  87
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)
EDO  A 302 (-4.3A)
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)
 0.49A 3hgiA-4ilvA:
21.0		 3hgiA-4ilvA:
23.44
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.
4jc8 HOPS COMPONENT VPS33

(Chaetomium
thermophilum) 		PF00995
(Sec1) 		5 LEU A 172
VAL A 607
ILE A 612
GLY A 611
TYR A 161
 None
 1.38A 3hgiA-4jc8A:
undetectable		 3hgiA-4jc8A:
18.93
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.
4k3b OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Neisseria
gonorrhoeae) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		5 LEU A  85
VAL A  74
ILE A  88
GLY A  32
ARG A  75
 None
 1.39A 3hgiA-4k3bA:
undetectable		 3hgiA-4k3bA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lur INTERPHOTORECEPTOR
RETINOID-BINDING
PROTEIN(IRBP)

(Danio rerio) 		PF03572
(Peptidase_S41)
PF11918
(Peptidase_S41_N) 		5 LEU A 109
VAL A  99
ILE A 101
GLY A 107
TYR A 197
 None
 1.31A 3hgiA-4lurA:
undetectable		 3hgiA-4lurA:
24.56
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.
4mb7 ENDONUCLEASE 8-LIKE
L720

(Acanthamoeba
polyphaga
mimivirus) 		PF06831
(H2TH) 		5 LEU A 137
ILE A   7
GLY A 180
PRO A 179
HIS A  69
 None
None
None
None
SO4  A 304 (-3.9A)
 1.33A 3hgiA-4mb7A:
undetectable		 3hgiA-4mb7A:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3hgiA-4mkvA:
undetectable		 3hgiA-4mkvA:
19.96
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.
4noh LIPOPROTEIN,
PUTATIVE

(Bacillus
anthracis) 		PF17294
(Lipoprotein_22) 		5 LEU A  88
VAL A 134
GLY A 137
TYR A  36
HIS A 191
 None
 1.41A 3hgiA-4nohA:
undetectable		 3hgiA-4nohA:
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.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		5 ASP A 248
VAL A 247
ILE A 215
GLY A 249
HIS A 236
 None
 1.06A 3hgiA-4p58A:
undetectable		 3hgiA-4p58A:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ptx GLYCOSIDE HYDROLASE
FAMILY 1

(Halothermothrix
orenii) 		PF00232
(Glyco_hydro_1) 		5 ASP A 282
ILE A 283
GLY A 279
TYR A 259
HIS A 195
 CAC  A 502 (-3.8A)
None
None
None
None
 1.31A 3hgiA-4ptxA:
undetectable		 3hgiA-4ptxA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qi8 LYTIC POLYSACCHARIDE
MONOOXYGENASE

(Neurospora
crassa) 		PF03443
(Glyco_hydro_61) 		5 VAL A 147
GLY A 144
TYR A 157
TYR A   2
HIS A 142
 None
None
CU  A 301 (-4.8A)
None
None
 1.34A 3hgiA-4qi8A:
undetectable		 3hgiA-4qi8A:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r7o GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE,
PUTATIVE

(Bacillus
anthracis) 		PF03009
(GDPD) 		5 LEU A 195
ILE A 249
GLY A 248
TYR A 150
HIS A 278
 None
 1.40A 3hgiA-4r7oA:
undetectable		 3hgiA-4r7oA:
21.56
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.
4rcd BETA-SECRETASE 1

(Homo sapiens) 		PF00026
(Asp) 		5 LEU A 121
ASP A  32
VAL A  31
GLY A  34
TYR A 199
 None
3LL  A 501 (-2.8A)
None
3LL  A 501 ( 3.9A)
None
 1.36A 3hgiA-4rcdA:
undetectable		 3hgiA-4rcdA:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 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)
 1.20A 3hgiA-4wxlA:
undetectable		 3hgiA-4wxlA:
22.64
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.
4z9n AMINO ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Brucella ovis) 		PF00497
(SBP_bac_3) 		5 LEU A 255
VAL A 320
ILE A 318
GLY A 317
HIS A 225
 None
 1.41A 3hgiA-4z9nA:
undetectable		 3hgiA-4z9nA:
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.
4zfm PUTATIVE
6-PHOSPHO-BETA-GALAC
TOBIOSIDASE

(Geobacillus
stearothermophilus) 		PF00232
(Glyco_hydro_1) 		5 LEU A 168
ILE A 221
GLY A 222
PRO A 223
TYR A 258
 None
 1.11A 3hgiA-4zfmA:
undetectable		 3hgiA-4zfmA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ahm INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00478
(IMPDH) 		5 LEU A 327
VAL A 323
ILE A 320
GLY A 353
TYR A 355
 None
 1.31A 3hgiA-5ahmA:
undetectable		 3hgiA-5ahmA:
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.
5ahn INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 LEU A 327
VAL A 323
ILE A 320
GLY A 353
TYR A 355
 None
 1.33A 3hgiA-5ahnA:
undetectable		 3hgiA-5ahnA:
20.82
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.
5dlk TQAA

(Penicillium
aethiopicum) 		PF00668
(Condensation) 		5 LEU A 396
ILE A 187
GLY A 184
HIS A  69
HIS A 179
 None
None
None
DMS  A 507 (-4.5A)
DMS  A 507 (-4.6A)
 1.31A 3hgiA-5dlkA:
undetectable		 3hgiA-5dlkA:
20.17
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.
5fac ALANINE RACEMASE

(Streptomyces
coelicolor) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 LEU A  25
VAL A  29
GLY A 244
TYR A 243
TYR A  50
 None
None
None
None
PLP  A 401 (-4.6A)
 1.36A 3hgiA-5facA:
undetectable		 3hgiA-5facA:
21.98
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.
5h0i ASPARAGINYL
ENDOPEPTIDASE

(Oldenlandia
affinis) 		PF01650
(Peptidase_C13) 		5 LEU A 353
ASP A 349
VAL A 345
HIS A  73
HIS A 175
 None
 1.24A 3hgiA-5h0iA:
undetectable		 3hgiA-5h0iA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i32 AQUAPORIN TIP2-1

(Arabidopsis
thaliana) 		PF00230
(MIP) 		5 LEU A 153
VAL A 181
ILE A 185
GLY A 194
HIS A 131
 None
 1.12A 3hgiA-5i32A:
undetectable		 3hgiA-5i32A:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j1d PHOSPHATE BINDING
PROTEIN

(Stenotrophomonas
maltophilia) 		PF12849
(PBP_like_2) 		5 LEU A 112
ASP A 111
VAL A 110
GLY A 243
TYR A 283
 None
 1.40A 3hgiA-5j1dA:
undetectable		 3hgiA-5j1dA:
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 ASP A 164
VAL A 163
PRO A 166
HIS A 974
HIS A1014
 None
None
None
CU  A1101 ( 3.2A)
CU  A1101 (-3.2A)
 1.36A 3hgiA-5n4lA:
undetectable		 3hgiA-5n4lA:
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.
5obt VACUOLAR-PROCESSING
ENZYME GAMMA-ISOZYME

(Arabidopsis
thaliana) 		no annotation 5 LEU A 270
ASP A 269
GLY A 268
TYR A 251
HIS A  81
 None
 1.23A 3hgiA-5obtA:
undetectable		 3hgiA-5obtA:
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) 		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)
 0.52A 3hgiA-5td3A:
28.2		 3hgiA-5td3A:
30.06
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)
 0.52A 3hgiA-5umhA:
27.9		 3hgiA-5umhA:
31.17
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.
5vg2 INTRADIOL
RING-CLEAVAGE
DIOXYGENASE

(Tetranychus
urticae) 		no annotation 8 GLY U  65
PRO U  66
TYR U  67
TYR U 118
TYR U 163
ARG U 166
HIS U 169
HIS U 171
 None
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)
 0.44A 3hgiA-5vg2U:
17.9		 3hgiA-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.
5xdr PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE DHX15

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		5 LEU A 356
ILE A 461
GLY A 440
PRO A 439
TYR A 331
 None
 1.40A 3hgiA-5xdrA:
undetectable		 3hgiA-5xdrA:
18.13
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.
5yqw PEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Vibrio harveyi) 		no annotation 5 VAL A 251
ILE A 481
TYR A 410
TYR A 419
TYR A 424
 None
 1.34A 3hgiA-5yqwA:
undetectable		 3hgiA-5yqwA:
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.
5zbi PEPTIDE ASPARAGINYL
LIGASE

(Viola
canadensis) 		no annotation 5 LEU A 259
ASP A 258
GLY A 257
TYR A 240
HIS A  70
 None
 1.29A 3hgiA-5zbiA:
undetectable		 3hgiA-5zbiA:
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.
6azt ASPARAGINYL
ENDOPEPTIDASE 1

(Helianthus
annuus) 		no annotation 5 LEU A 271
ASP A 270
GLY A 269
TYR A 252
HIS A  82
 None
None
None
None
GOL  A 501 (-4.0A)
 1.28A 3hgiA-6aztA:
undetectable		 3hgiA-6aztA:
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.
6bhc PSEUDOPODIUM-ENRICHE
D ATYPICAL KINASE 1

(Homo sapiens) 		no annotation 5 LEU A1524
ASP A1473
VAL A1471
TYR A1489
HIS A1604
 None
 1.26A 3hgiA-6bhcA:
undetectable		 3hgiA-6bhcA:
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.
6ej2 BETA-SECRETASE 1

(Homo sapiens) 		no annotation 5 LEU A 530
ASP A 441
VAL A 440
GLY A 443
TYR A 608
 None
B7E  A 901 (-2.9A)
None
B7E  A 901 ( 3.8A)
None
 1.36A 3hgiA-6ej2A:
undetectable		 3hgiA-6ej2A:
undetectable