SIMILAR PATTERNS OF AMINO ACIDS FOR 1XWF_A_ADNA433

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.
1ccr CYTOCHROME C

(Oryza sativa) 		PF00034
(Cytochrom_C) 		5 THR A  71
ASP A  60
HIS A  26
LEU A  40
LEU A  43
 None
HEM  A 112 (-3.6A)
HEM  A 112 (-3.2A)
None
None
 1.17A 1xwfA-1ccrA:
undetectable		 1xwfA-1ccrA:
14.00
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.
1coz PROTEIN
(GLYCEROL-3-PHOSPHAT
E
CYTIDYLYLTRANSFERASE
)

(Bacillus
subtilis) 		PF01467
(CTP_transf_like) 		5 LEU A  21
THR A   6
LEU A 111
GLY A  92
PHE A  10
 None
None
None
CTP  A 130 (-3.3A)
CTP  A 130 (-4.3A)
 1.14A 1xwfA-1cozA:
2.4		 1xwfA-1cozA:
15.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  53
GLU A  58
ASP A 234
LEU A 389
LEU A 392
GLY A 397
MET A 403
PHE A 407
 None
ADN  A 502 (-3.6A)
ADN  A 502 (-2.8A)
NAD  A 501 ( 3.8A)
ADN  A 502 ( 4.9A)
ADN  A 502 ( 3.7A)
ADN  A 502 (-3.6A)
None
 0.99A 1xwfA-1v8bA:
50.0		 1xwfA-1v8bA:
52.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		9 LEU A  53
HIS A  54
GLU A  58
ASP A 134
ASP A 234
LEU A 392
GLY A 397
MET A 403
PHE A 407
 None
ADN  A 502 (-4.1A)
ADN  A 502 (-3.6A)
ADN  A 502 (-3.1A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.9A)
ADN  A 502 ( 3.7A)
ADN  A 502 (-3.6A)
None
 0.95A 1xwfA-1v8bA:
50.0		 1xwfA-1v8bA:
52.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		9 LEU A  53
HIS A  54
THR A  56
GLU A  58
ASP A 134
ASP A 234
GLY A 397
MET A 403
PHE A 407
 None
ADN  A 502 (-4.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-3.6A)
ADN  A 502 (-3.1A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 3.7A)
ADN  A 502 (-3.6A)
None
 0.80A 1xwfA-1v8bA:
50.0		 1xwfA-1v8bA:
52.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  53
THR A  56
GLU A  58
ASP A 234
LEU A 389
GLY A 397
MET A 403
PHE A 407
 None
ADN  A 502 (-3.0A)
ADN  A 502 (-3.6A)
ADN  A 502 (-2.8A)
NAD  A 501 ( 3.8A)
ADN  A 502 ( 3.7A)
ADN  A 502 (-3.6A)
None
 0.97A 1xwfA-1v8bA:
50.0		 1xwfA-1v8bA:
52.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xnf LIPOPROTEIN NLPI

(Escherichia
coli) 		PF07719
(TPR_2)
PF13181
(TPR_8) 		5 THR A 107
ASP A 120
LEU A 148
LEU A 140
GLY A 137
 None
 1.07A 1xwfA-1xnfA:
undetectable		 1xwfA-1xnfA:
23.27
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.
1y23 HISTIDINE TRIAD
PROTEIN

(Bacillus
subtilis) 		PF01230
(HIT) 		5 LEU A  43
HIS A 104
ASP A  33
GLY A  95
PHE A   9
 None
 1.15A 1xwfA-1y23A:
undetectable		 1xwfA-1y23A:
16.01
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.
2c27 MYCOTHIOL SYNTHASE

(Mycobacterium
tuberculosis) 		PF00583
(Acetyltransf_1) 		5 LEU A 127
THR A 121
LEU A  65
LEU A  80
GLY A  92
 None
ACO  A1313 (-3.6A)
None
ACO  A1313 (-4.2A)
ACO  A1313 (-3.4A)
 1.06A 1xwfA-2c27A:
undetectable		 1xwfA-2c27A:
22.87
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.
2ph7 UNCHARACTERIZED
PROTEIN AF_2093

(Archaeoglobus
fulgidus) 		no annotation 5 LEU A 196
HIS A 156
GLU A 162
LEU A  33
GLY A  37
 None
 1.17A 1xwfA-2ph7A:
undetectable		 1xwfA-2ph7A:
19.77
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.
2y8u CHITIN DEACETYLASE

(Aspergillus
nidulans) 		PF01522
(Polysacc_deac_1) 		5 LEU A  73
HIS A  97
THR A  98
ASP A  48
LEU A 139
 None
CO  A1239 ( 3.3A)
None
CO  A1239 ( 2.4A)
PO4  A1238 ( 4.8A)
 1.03A 1xwfA-2y8uA:
3.3		 1xwfA-2y8uA:
19.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ASP A 252
LEU A 407
LEU A 410
GLY A 415
MET A 421
 ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 1.04A 1xwfA-3ce6A:
50.3		 1xwfA-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A 363
LEU A 407
LEU A 410
GLY A 415
MET A 421
 ADN  A 500 ( 3.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 0.78A 1xwfA-3ce6A:
50.3		 1xwfA-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A 363
LEU A 410
GLY A 415
MET A 421
PHE A 425
 ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.76A 1xwfA-3ce6A:
50.3		 1xwfA-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LEU A  68
HIS A  69
ASP A 156
ASP A 252
LEU A 407
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 (-4.8A)
 1.40A 1xwfA-3ce6A:
50.3		 1xwfA-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  68
HIS A  69
ASP A 156
ASP A 252
LEU A 410
GLY A 415
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.95A 1xwfA-3ce6A:
50.3		 1xwfA-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  68
HIS A  69
THR A  71
ASP A 156
ASP A 252
GLY A 415
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.79A 1xwfA-3ce6A:
50.3		 1xwfA-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A  71
HIS A 363
GLY A 415
MET A 421
PHE A 425
 ADN  A 500 (-2.8A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.84A 1xwfA-3ce6A:
50.3		 1xwfA-3ce6A:
54.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 HIS A  52
HIS A 300
LEU A 346
GLY A 351
MET A 357
PHE A 361
 ADN  A 438 (-4.0A)
ADN  A 438 ( 4.0A)
ADN  A 438 ( 4.8A)
ADN  A 438 ( 3.8A)
ADN  A 438 (-3.7A)
None
 1.00A 1xwfA-3g1uA:
54.2		 1xwfA-3g1uA:
71.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 HIS A  52
THR A  54
HIS A 300
GLY A 351
MET A 357
PHE A 361
 ADN  A 438 (-4.0A)
ADN  A 438 (-2.8A)
ADN  A 438 ( 4.0A)
ADN  A 438 ( 3.8A)
ADN  A 438 (-3.7A)
None
 0.94A 1xwfA-3g1uA:
54.2		 1xwfA-3g1uA:
71.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A 300
LEU A 343
LEU A 346
GLY A 351
MET A 357
 ADN  A 438 ( 4.0A)
NAD  A 439 ( 4.0A)
ADN  A 438 ( 4.8A)
ADN  A 438 ( 3.8A)
ADN  A 438 (-3.7A)
 0.76A 1xwfA-3g1uA:
54.2		 1xwfA-3g1uA:
71.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LEU A  51
HIS A  52
ASP A 130
LEU A 343
PHE A 361
 None
ADN  A 438 (-4.0A)
ADN  A 438 (-4.1A)
NAD  A 439 ( 4.0A)
None
 1.22A 1xwfA-3g1uA:
54.2		 1xwfA-3g1uA:
71.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  51
HIS A  52
ASP A 130
LEU A 346
GLY A 351
MET A 357
PHE A 361
 None
ADN  A 438 (-4.0A)
ADN  A 438 (-4.1A)
ADN  A 438 ( 4.8A)
ADN  A 438 ( 3.8A)
ADN  A 438 (-3.7A)
None
 0.89A 1xwfA-3g1uA:
54.2		 1xwfA-3g1uA:
71.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  51
HIS A  52
THR A  54
ASP A 130
GLY A 351
MET A 357
PHE A 361
 None
ADN  A 438 (-4.0A)
ADN  A 438 (-2.8A)
ADN  A 438 (-4.1A)
ADN  A 438 ( 3.8A)
ADN  A 438 (-3.7A)
None
 0.68A 1xwfA-3g1uA:
54.2		 1xwfA-3g1uA:
71.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ASP A 233
LEU A 385
LEU A 388
GLY A 393
MET A 399
 RAB  A 602 (-2.5A)
NAD  A 601 ( 4.1A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
RAB  A 602 (-3.6A)
 1.00A 1xwfA-3glqA:
52.8		 1xwfA-3glqA:
56.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A 344
LEU A 385
LEU A 388
GLY A 393
MET A 399
 RAB  A 602 ( 3.5A)
NAD  A 601 ( 4.1A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
RAB  A 602 (-3.6A)
 0.70A 1xwfA-3glqA:
52.8		 1xwfA-3glqA:
56.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A 344
LEU A 388
GLY A 393
MET A 399
PHE A 403
 RAB  A 602 ( 3.5A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
RAB  A 602 (-3.6A)
None
 0.69A 1xwfA-3glqA:
52.8		 1xwfA-3glqA:
56.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LEU A  61
HIS A  62
ASP A 139
ASP A 233
LEU A 385
PHE A 403
 None
RAB  A 602 (-3.8A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
NAD  A 601 ( 4.1A)
None
 1.30A 1xwfA-3glqA:
52.8		 1xwfA-3glqA:
56.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  61
HIS A  62
ASP A 139
ASP A 233
LEU A 388
GLY A 393
MET A 399
PHE A 403
 None
RAB  A 602 (-3.8A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
RAB  A 602 (-3.6A)
None
 0.91A 1xwfA-3glqA:
52.8		 1xwfA-3glqA:
56.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  61
HIS A  62
THR A  64
ASP A 139
ASP A 233
GLY A 393
MET A 399
PHE A 403
 None
RAB  A 602 (-3.8A)
RAB  A 602 (-2.7A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
RAB  A 602 ( 3.8A)
RAB  A 602 (-3.6A)
None
 0.76A 1xwfA-3glqA:
52.8		 1xwfA-3glqA:
56.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A  64
HIS A 344
GLY A 393
MET A 399
PHE A 403
 RAB  A 602 (-2.7A)
RAB  A 602 ( 3.5A)
RAB  A 602 ( 3.8A)
RAB  A 602 (-3.6A)
None
 0.77A 1xwfA-3glqA:
52.8		 1xwfA-3glqA:
56.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 ASP A 189
LEU A 343
LEU A 346
GLY A 351
MET A 357
PHE A 361
 NAD  A 438 ( 4.4A)
NAD  A 438 (-4.0A)
ADN  A 439 ( 4.7A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.7A)
None
 1.00A 1xwfA-3h9uA:
56.5		 1xwfA-3h9uA:
71.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 HIS A  52
HIS A 300
LEU A 346
GLY A 351
MET A 357
PHE A 361
 ADN  A 439 ( 4.7A)
None
ADN  A 439 ( 4.7A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.7A)
None
 1.05A 1xwfA-3h9uA:
56.5		 1xwfA-3h9uA:
71.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 HIS A  52
THR A  54
HIS A 300
GLY A 351
MET A 357
PHE A 361
 ADN  A 439 ( 4.7A)
ADN  A 439 (-2.7A)
None
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.7A)
None
 1.00A 1xwfA-3h9uA:
56.5		 1xwfA-3h9uA:
71.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 HIS A 300
LEU A 343
LEU A 346
GLY A 351
MET A 357
PHE A 361
 None
NAD  A 438 (-4.0A)
ADN  A 439 ( 4.7A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.7A)
None
 0.75A 1xwfA-3h9uA:
56.5		 1xwfA-3h9uA:
71.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  51
HIS A  52
ASP A 130
ASP A 189
LEU A 346
GLY A 351
MET A 357
PHE A 361
 None
ADN  A 439 ( 4.7A)
None
NAD  A 438 ( 4.4A)
ADN  A 439 ( 4.7A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.7A)
None
 0.91A 1xwfA-3h9uA:
56.5		 1xwfA-3h9uA:
71.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  51
HIS A  52
THR A  54
ASP A 130
ASP A 189
GLY A 351
MET A 357
PHE A 361
 None
ADN  A 439 ( 4.7A)
ADN  A 439 (-2.7A)
None
NAD  A 438 ( 4.4A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.7A)
None
 0.79A 1xwfA-3h9uA:
56.5		 1xwfA-3h9uA:
71.75
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.
3hp7 HEMOLYSIN, PUTATIVE

(Streptococcus
thermophilus) 		PF01479
(S4)
PF01728
(FtsJ) 		5 LEU A 122
THR A  93
GLU A  52
LEU A  70
GLY A  66
 None
 1.04A 1xwfA-3hp7A:
3.5		 1xwfA-3hp7A:
22.05
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.
3l7x PUTATIVE HIT-LIKE
PROTEIN INVOLVED IN
CELL-CYCLE
REGULATION

(Streptococcus
mutans) 		PF01230
(HIT) 		5 LEU A  40
HIS A 101
ASP A  30
GLY A  92
PHE A   6
 None
NA  A 141 (-4.1A)
None
None
None
 1.21A 1xwfA-3l7xA:
undetectable		 1xwfA-3l7xA:
18.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 ASP A 226
LEU A 378
LEU A 381
GLY A 386
MET A 392
PHE A 396
 ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 1.04A 1xwfA-3n58A:
52.7		 1xwfA-3n58A:
58.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 HIS A  55
HIS A 337
LEU A 381
GLY A 386
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 1.00A 1xwfA-3n58A:
52.7		 1xwfA-3n58A:
58.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 HIS A  55
THR A  57
HIS A 337
GLY A 386
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.96A 1xwfA-3n58A:
52.7		 1xwfA-3n58A:
58.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 HIS A 337
LEU A 378
LEU A 381
GLY A 386
MET A 392
PHE A 396
 ADN  A 500 ( 3.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.76A 1xwfA-3n58A:
52.7		 1xwfA-3n58A:
58.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LEU A  54
HIS A  55
ASP A 132
ASP A 226
LEU A 378
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
None
 1.33A 1xwfA-3n58A:
52.7		 1xwfA-3n58A:
58.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  54
HIS A  55
ASP A 132
ASP A 226
LEU A 381
GLY A 386
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.89A 1xwfA-3n58A:
52.7		 1xwfA-3n58A:
58.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  54
HIS A  55
THR A  57
ASP A 132
ASP A 226
GLY A 386
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 ( 2.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.74A 1xwfA-3n58A:
52.7		 1xwfA-3n58A:
58.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 HIS A  62
ASP A 139
ASP A 239
LEU A 398
GLY A 403
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.94A 1xwfA-3oneA:
49.6		 1xwfA-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 HIS A  62
THR A  64
ASP A 139
ASP A 239
GLY A 403
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 ( 4.5A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.79A 1xwfA-3oneA:
49.6		 1xwfA-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  61
ASP A 239
LEU A 395
LEU A 398
GLY A 403
MET A 409
PHE A 413
 None
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 1.06A 1xwfA-3oneA:
49.6		 1xwfA-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  61
HIS A  62
ASP A 239
LEU A 398
GLY A 403
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.92A 1xwfA-3oneA:
49.6		 1xwfA-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  61
HIS A  62
THR A  64
ASP A 239
GLY A 403
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.82A 1xwfA-3oneA:
49.6		 1xwfA-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  61
HIS A 350
LEU A 395
LEU A 398
GLY A 403
MET A 409
PHE A 413
 None
None
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.91A 1xwfA-3oneA:
49.6		 1xwfA-3oneA:
57.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LEU A  61
THR A  64
HIS A 350
GLY A 403
MET A 409
PHE A 413
 None
ADE  A 506 (-2.8A)
None
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.97A 1xwfA-3oneA:
49.6		 1xwfA-3oneA:
57.44
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.
3wfp POLY A POLYMERASE

(Aquifex
aeolicus;
synthetic
construct) 		PF01743
(PolyA_pol)
PF01966
(HD)
PF12627
(PolyA_pol_RNAbd) 		5 THR A 280
ASP A 346
LEU A 411
LEU A 414
GLY A 321
 None
 1.22A 1xwfA-3wfpA:
undetectable		 1xwfA-3wfpA:
20.49
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.
4l8l 3-DEHYDROQUINATE
DEHYDRATASE 1

(Pseudomonas
aeruginosa) 		PF01220
(DHquinase_II) 		5 HIS A   8
GLU A  36
LEU A  15
LEU A  28
GLY A  29
 None
 1.09A 1xwfA-4l8lA:
5.1		 1xwfA-4l8lA:
15.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 HIS A 342
LEU A 383
LEU A 386
GLY A 391
MET A 397
PHE A 401
 ADN  A 501 ( 3.7A)
NAD  A 503 ( 3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.72A 1xwfA-4lvcA:
52.2		 1xwfA-4lvcA:
58.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  57
ASP A 231
LEU A 383
LEU A 386
GLY A 391
MET A 397
PHE A 401
 None
ADN  A 501 (-3.1A)
NAD  A 503 ( 3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 1.04A 1xwfA-4lvcA:
52.2		 1xwfA-4lvcA:
58.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  57
HIS A  58
ASP A 135
LEU A 386
GLY A 391
MET A 397
PHE A 401
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-3.0A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.72A 1xwfA-4lvcA:
52.2		 1xwfA-4lvcA:
58.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  57
HIS A  58
ASP A 231
LEU A 386
GLY A 391
MET A 397
PHE A 401
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-3.1A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.85A 1xwfA-4lvcA:
52.2		 1xwfA-4lvcA:
58.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  57
HIS A  58
THR A  60
ASP A 135
GLY A 391
MET A 397
PHE A 401
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.53A 1xwfA-4lvcA:
52.2		 1xwfA-4lvcA:
58.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  57
HIS A  58
THR A  60
ASP A 231
GLY A 391
MET A 397
PHE A 401
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.1A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.72A 1xwfA-4lvcA:
52.2		 1xwfA-4lvcA:
58.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  57
THR A  60
ASP A 231
LEU A 383
GLY A 391
MET A 397
PHE A 401
 None
ADN  A 501 (-2.8A)
ADN  A 501 (-3.1A)
NAD  A 503 ( 3.9A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 1.05A 1xwfA-4lvcA:
52.2		 1xwfA-4lvcA:
58.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 THR A  60
HIS A 342
LEU A 383
GLY A 391
MET A 397
PHE A 401
 ADN  A 501 (-2.8A)
ADN  A 501 ( 3.7A)
NAD  A 503 ( 3.9A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.87A 1xwfA-4lvcA:
52.2		 1xwfA-4lvcA:
58.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oj5 TAILSPIKE PROTEIN

(Escherichia
virus CBA120) 		no annotation 5 LEU A 667
THR A 695
LEU A 672
GLY A 674
PHE A 683
 None
 1.01A 1xwfA-4oj5A:
undetectable		 1xwfA-4oj5A:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacterium
smegmatis) 		PF10017
(Methyltransf_33) 		5 LEU A 167
THR A 163
ASP A 141
LEU A  85
GLY A  86
 None
SAH  A 801 ( 3.7A)
SAH  A 801 (-3.7A)
None
SAH  A 801 (-3.0A)
 1.19A 1xwfA-4uy6A:
4.4		 1xwfA-4uy6A:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wo4 ANTIGEN-PRESENTING
GLYCOPROTEIN CD1D

(Homo sapiens) 		PF07654
(C1-set)
PF16497
(MHC_I_3) 		5 LEU A  10
THR A  37
LEU A 181
GLY A 177
PHE A 169
 None
 1.22A 1xwfA-4wo4A:
undetectable		 1xwfA-4wo4A:
19.18
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.
5lki TCDA1

(Photorhabdus
luminescens) 		PF03538
(VRP1) 		5 LEU A1613
THR A1607
GLU A1634
LEU A1766
GLY A1762
 None
 1.20A 1xwfA-5lkiA:
undetectable		 1xwfA-5lkiA:
10.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 LEU A  52
HIS A  53
THR A  55
GLU A  57
ASP A 137
ASP A 245
LEU A 404
GLY A 409
MET A 415
PHE A 419
 None
SAH  A 502 (-4.0A)
SAH  A 502 (-2.7A)
SAH  A 502 (-3.7A)
SAH  A 502 (-3.4A)
SAH  A 502 (-2.8A)
SAH  A 502 ( 4.7A)
SAH  A 502 ( 3.7A)
SAH  A 502 (-3.6A)
SAH  A 502 (-4.8A)
 0.90A 1xwfA-5utuA:
48.5		 1xwfA-5utuA:
48.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		9 LEU A  52
THR A  55
GLU A  57
ASP A 245
LEU A 401
LEU A 404
GLY A 409
MET A 415
PHE A 419
 None
SAH  A 502 (-2.7A)
SAH  A 502 (-3.7A)
SAH  A 502 (-2.8A)
NAD  A 501 (-4.1A)
SAH  A 502 ( 4.7A)
SAH  A 502 ( 3.7A)
SAH  A 502 (-3.6A)
SAH  A 502 (-4.8A)
 0.98A 1xwfA-5utuA:
48.5		 1xwfA-5utuA:
48.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  58
GLU A  63
ASP A 231
LEU A 386
LEU A 389
GLY A 394
MET A 400
PHE A 404
 None
ADN  A 502 (-3.6A)
ADN  A 502 (-2.8A)
NAD  A 501 (-3.9A)
ADN  A 502 ( 4.7A)
ADN  A 502 (-3.7A)
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
 1.00A 1xwfA-5v96A:
51.5		 1xwfA-5v96A:
57.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		9 LEU A  58
HIS A  59
GLU A  63
ASP A 136
ASP A 231
LEU A 389
GLY A 394
MET A 400
PHE A 404
 None
ADN  A 502 ( 3.9A)
ADN  A 502 (-3.6A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.7A)
ADN  A 502 (-3.7A)
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
 0.97A 1xwfA-5v96A:
51.5		 1xwfA-5v96A:
57.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		9 LEU A  58
HIS A  59
THR A  61
GLU A  63
ASP A 136
ASP A 231
GLY A 394
MET A 400
PHE A 404
 None
ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-3.6A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
ADN  A 502 (-3.7A)
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
 0.82A 1xwfA-5v96A:
51.5		 1xwfA-5v96A:
57.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  58
THR A  61
GLU A  63
ASP A 231
LEU A 386
GLY A 394
MET A 400
PHE A 404
 None
ADN  A 502 (-2.9A)
ADN  A 502 (-3.6A)
ADN  A 502 (-2.8A)
NAD  A 501 (-3.9A)
ADN  A 502 (-3.7A)
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
 0.97A 1xwfA-5v96A:
51.5		 1xwfA-5v96A:
57.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 GLU A  59
ASP A 131
ASP A 190
GLY A 352
MET A 358
PHE A 362
 9W4  A 502 (-3.8A)
None
NAD  A 501 (-4.1A)
9W4  A 502 ( 3.9A)
9W4  A 502 (-3.6A)
None
 0.82A 1xwfA-5w4bA:
58.7		 1xwfA-5w4bA:
96.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 GLU A  59
ASP A 190
LEU A 344
LEU A 347
GLY A 352
MET A 358
PHE A 362
 9W4  A 502 (-3.8A)
NAD  A 501 (-4.1A)
NAD  A 501 (-4.0A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
9W4  A 502 (-3.6A)
None
 0.67A 1xwfA-5w4bA:
58.7		 1xwfA-5w4bA:
96.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LEU A  54
HIS A  55
ASP A 131
ASP A 190
LEU A 347
 None
9W4  A 502 (-3.7A)
None
NAD  A 501 (-4.1A)
9W4  A 502 (-4.1A)
 1.14A 1xwfA-5w4bA:
58.7		 1xwfA-5w4bA:
96.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  54
HIS A  55
THR A  57
GLU A  59
ASP A 131
ASP A 190
MET A 358
PHE A 362
 None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
9W4  A 502 (-3.8A)
None
NAD  A 501 (-4.1A)
9W4  A 502 (-3.6A)
None
 0.57A 1xwfA-5w4bA:
58.7		 1xwfA-5w4bA:
96.50
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.
5xgw ISOASPARTYL
DIPEPTIDASE

(Colwellia
psychrerythraea) 		no annotation 5 HIS A 203
ASP A 256
HIS A 234
LEU A 106
GLY A 105
 None
None
ZN  A 402 (-3.3A)
None
None
 1.20A 1xwfA-5xgwA:
undetectable		 1xwfA-5xgwA:
12.50
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 LEU A 330
HIS A 369
LEU A 274
GLY A 358
PHE A 281
 None
 1.18A 1xwfA-5ydjA:
undetectable		 1xwfA-5ydjA:
10.59
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.
5yy3 -

(-) 		no annotation 5 HIS A 346
ASP A 322
HIS A 180
LEU A 350
GLY A 351
 None
 1.15A 1xwfA-5yy3A:
undetectable		 1xwfA-5yy3A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 ASP A 195
LEU A 349
LEU A 352
GLY A 357
MET A 363
PHE A 367
 ADN  A 501 (-2.7A)
NAD  A 500 ( 4.3A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.7A)
None
 1.09A 1xwfA-6aphA:
57.4		 1xwfA-6aphA:
66.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 HIS A  58
HIS A 306
LEU A 352
GLY A 357
MET A 363
PHE A 367
 ADN  A 501 (-3.9A)
ADN  A 501 ( 3.7A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.7A)
None
 1.00A 1xwfA-6aphA:
57.4		 1xwfA-6aphA:
66.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 HIS A  58
THR A  60
HIS A 306
GLY A 357
MET A 363
PHE A 367
 ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 ( 3.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.7A)
None
 0.94A 1xwfA-6aphA:
57.4		 1xwfA-6aphA:
66.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 HIS A 306
LEU A 349
LEU A 352
GLY A 357
MET A 363
PHE A 367
 ADN  A 501 ( 3.7A)
NAD  A 500 ( 4.3A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.7A)
None
 0.81A 1xwfA-6aphA:
57.4		 1xwfA-6aphA:
66.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LEU A  57
HIS A  58
ASP A 136
ASP A 195
LEU A 349
PHE A 367
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.7A)
NAD  A 500 ( 4.3A)
None
 1.36A 1xwfA-6aphA:
57.4		 1xwfA-6aphA:
66.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  57
HIS A  58
ASP A 136
ASP A 195
LEU A 352
GLY A 357
MET A 363
PHE A 367
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.7A)
None
 0.92A 1xwfA-6aphA:
57.4		 1xwfA-6aphA:
66.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  57
HIS A  58
THR A  60
ASP A 136
ASP A 195
GLY A 357
MET A 363
PHE A 367
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.7A)
None
 0.78A 1xwfA-6aphA:
57.4		 1xwfA-6aphA:
66.52
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.
6f3m -

(-) 		no annotation 6 ASP B 198
LEU B 373
LEU B 376
GLY B 381
MET B 387
PHE B 391
 ADN  B 502 (-2.7A)
NAD  B 501 ( 3.9A)
ADN  B 502 ( 4.8A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
 0.96A 1xwfA-6f3mB:
51.4		 1xwfA-6f3mB:
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.
6f3m -

(-) 		no annotation 7 HIS B  61
ASP B 139
ASP B 198
LEU B 376
GLY B 381
MET B 387
PHE B 391
 ADN  B 502 ( 4.0A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-2.7A)
ADN  B 502 ( 4.8A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
 1.00A 1xwfA-6f3mB:
51.4		 1xwfA-6f3mB:
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.
6f3m -

(-) 		no annotation 7 HIS B  61
THR B  63
ASP B 139
ASP B 198
GLY B 381
MET B 387
PHE B 391
 ADN  B 502 ( 4.0A)
ADN  B 502 (-2.8A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-2.7A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
 0.86A 1xwfA-6f3mB:
51.4		 1xwfA-6f3mB:
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.
6f3m -

(-) 		no annotation 6 HIS B 323
LEU B 373
LEU B 376
GLY B 381
MET B 387
PHE B 391
 ZN  B 505 (-3.2A)
NAD  B 501 ( 3.9A)
ADN  B 502 ( 4.8A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
 0.75A 1xwfA-6f3mB:
51.4		 1xwfA-6f3mB:
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.
6f3m -

(-) 		no annotation 5 THR B  63
HIS B 323
GLY B 381
MET B 387
PHE B 391
 ADN  B 502 (-2.8A)
ZN  B 505 (-3.2A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
 0.81A 1xwfA-6f3mB:
51.4		 1xwfA-6f3mB:
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.
6gbn -

(-) 		no annotation 6 ASP A 193
LEU A 347
LEU A 350
GLY A 355
MET A 361
PHE A 365
 ADN  A 501 (-2.7A)
NAD  A 502 (-3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.6A)
None
 0.92A 1xwfA-6gbnA:
57.5		 1xwfA-6gbnA:
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.
6gbn -

(-) 		no annotation 6 HIS A  56
HIS A 304
LEU A 350
GLY A 355
MET A 361
PHE A 365
 ADN  A 501 (-3.9A)
ADN  A 501 ( 3.6A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.6A)
None
 0.98A 1xwfA-6gbnA:
57.5		 1xwfA-6gbnA:
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.
6gbn -

(-) 		no annotation 6 HIS A  56
THR A  58
HIS A 304
GLY A 355
MET A 361
PHE A 365
 ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 ( 3.6A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.6A)
None
 0.91A 1xwfA-6gbnA:
57.5		 1xwfA-6gbnA:
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.
6gbn -

(-) 		no annotation 6 HIS A 304
LEU A 347
LEU A 350
GLY A 355
MET A 361
PHE A 365
 ADN  A 501 ( 3.6A)
NAD  A 502 (-3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.6A)
None
 0.72A 1xwfA-6gbnA:
57.5		 1xwfA-6gbnA:
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.
6gbn -

(-) 		no annotation 8 LEU A  55
HIS A  56
ASP A 134
ASP A 193
LEU A 350
GLY A 355
MET A 361
PHE A 365
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.6A)
None
 0.90A 1xwfA-6gbnA:
57.5		 1xwfA-6gbnA:
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.
6gbn -

(-) 		no annotation 8 LEU A  55
HIS A  56
THR A  58
ASP A 134
ASP A 193
GLY A 355
MET A 361
PHE A 365
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.6A)
None
 0.75A 1xwfA-6gbnA:
57.5		 1xwfA-6gbnA:
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.
6gbn -

(-) 		no annotation 6 THR A  58
ASP A 193
LEU A 347
GLY A 355
MET A 361
PHE A 365
 ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
NAD  A 502 (-3.9A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.6A)
None
 0.94A 1xwfA-6gbnA:
57.5		 1xwfA-6gbnA:
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.
6gbn -

(-) 		no annotation 6 THR A  58
HIS A 304
LEU A 347
GLY A 355
MET A 361
PHE A 365
 ADN  A 501 (-2.8A)
ADN  A 501 ( 3.6A)
NAD  A 502 (-3.9A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.6A)
None
 0.80A 1xwfA-6gbnA:
57.5		 1xwfA-6gbnA:
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.
1a6c TOBACCO RINGSPOT
VIRUS CAPSID PROTEIN

(Tobacco
ringspot virus) 		PF03391
(Nepo_coat)
PF03688
(Nepo_coat_C)
PF03689
(Nepo_coat_N) 		3 THR A 178
GLU A 174
HIS A 407
 None
 0.88A 1xwfA-1a6cA:
0.0		 1xwfA-1a6cA:
22.30
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.
1dqu ISOCITRATE LYASE

(Aspergillus
nidulans) 		PF00463
(ICL) 		3 THR A  82
GLU A 491
HIS A 501
 None
 0.91A 1xwfA-1dquA:
0.0		 1xwfA-1dquA:
21.72
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.
1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Escherichia
coli) 		PF02350
(Epimerase_2) 		3 THR A   5
GLU A  12
HIS A 115
 None
 0.74A 1xwfA-1f6dA:
4.9		 1xwfA-1f6dA:
23.14
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.
1gl9 REVERSE GYRASE

(Archaeoglobus
fulgidus) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		3 THR B 850
GLU B 668
HIS B 659
 None
 0.92A 1xwfA-1gl9B:
1.7		 1xwfA-1gl9B:
17.17
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.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 THR A 837
GLU A 823
HIS A 816
 None
 0.80A 1xwfA-1kcwA:
0.0		 1xwfA-1kcwA:
17.13
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.
1khw RNA-DIRECTED RNA
POLYMERASE

(Rabbit
hemorrhagic
disease virus) 		PF00680
(RdRP_1) 		3 THR A  16
GLU A  78
HIS A 290
 None
 0.91A 1xwfA-1khwA:
0.0		 1xwfA-1khwA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kvn SRP19

(Archaeoglobus
fulgidus) 		PF01922
(SRP19) 		3 THR A   8
GLU A  61
HIS A  35
 None
 0.45A 1xwfA-1kvnA:
0.0		 1xwfA-1kvnA:
12.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nyq THREONYL-TRNA
SYNTHETASE 1

(Staphylococcus
aureus) 		PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD) 		3 THR A 523
GLU A 484
HIS A 243
 TSB  A1002 (-2.9A)
None
None
 0.84A 1xwfA-1nyqA:
0.0		 1xwfA-1nyqA:
19.94
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.
1p49 STERYL-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		3 THR A 470
GLU A 511
HIS A 444
 None
 0.67A 1xwfA-1p49A:
0.7		 1xwfA-1p49A:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1urj MAJOR DNA-BINDING
PROTEIN

(Human
alphaherpesvirus
1) 		PF00747
(Viral_DNA_bp) 		3 THR A 226
GLU A 753
HIS A 177
 None
 0.89A 1xwfA-1urjA:
undetectable		 1xwfA-1urjA:
15.67
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.
1xrz ZINC FINGER
Y-CHROMOSOMAL
PROTEIN

(Homo sapiens) 		PF13909
(zf-H2C2_5) 		3 THR A   2
GLU A   9
HIS A  21
 None
ALC  A  10 ( 4.6A)
ALC  A  10 (-2.5A)
 0.91A 1xwfA-1xrzA:
undetectable		 1xwfA-1xrzA:
5.69
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.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		3 THR A 445
GLU A 468
HIS A 396
 None
 0.78A 1xwfA-1yq2A:
undetectable		 1xwfA-1yq2A:
17.90
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.
1zwx SPHINGOMYELINASE-C

(Listeria
ivanovii) 		PF03372
(Exo_endo_phos) 		3 THR A 186
GLU A 204
HIS A 151
 None
 0.72A 1xwfA-1zwxA:
undetectable		 1xwfA-1zwxA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dy3 ALANINE RACEMASE

(Corynebacterium
glutamicum) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		3 THR A 157
GLU A 169
HIS A 128
 None
 0.88A 1xwfA-2dy3A:
undetectable		 1xwfA-2dy3A:
24.20
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.
2f17 THIAMIN
PYROPHOSPHOKINASE 1

(Mus musculus) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		3 THR A 198
GLU A   2
HIS A 173
 None
 0.81A 1xwfA-2f17A:
undetectable		 1xwfA-2f17A:
20.46
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.
2f9h PTS SYSTEM, IIA
COMPONENT

(Enterococcus
faecalis) 		PF03829
(PTSIIA_gutA) 		3 THR A  85
GLU A  21
HIS A  38
 None
 0.54A 1xwfA-2f9hA:
undetectable		 1xwfA-2f9hA:
16.43
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.
2fqd BLUE COPPER OXIDASE
CUEO

(Escherichia
coli) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 THR A  99
GLU A 506
HIS A 103
 None
C2O  A 602 ( 4.9A)
C2O  A 602 (-3.0A)
 0.75A 1xwfA-2fqdA:
undetectable		 1xwfA-2fqdA:
23.50
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.
2gmn METALLO-BETA-LACTAMA
SE

(Bradyrhizobium
diazoefficiens) 		PF00753
(Lactamase_B) 		3 THR A 168
GLU A 196
HIS A 172
 None
None
ZN  A 805 (-3.1A)
 0.91A 1xwfA-2gmnA:
undetectable		 1xwfA-2gmnA:
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.
2iuj LIPOXYGENASE L-5

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		3 THR A 788
GLU A 167
HIS A 536
 None
 0.85A 1xwfA-2iujA:
undetectable		 1xwfA-2iujA:
19.34
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.
2oo3 PROTEIN INVOLVED IN
CATABOLISM OF
EXTERNAL DNA

(Legionella
pneumophila) 		PF04378
(RsmJ) 		3 THR A  23
GLU A 251
HIS A  31
 None
 0.74A 1xwfA-2oo3A:
2.8		 1xwfA-2oo3A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rb7 PEPTIDASE,
M20/M25/M40 FAMILY

(Desulfovibrio
alaskensis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		3 THR A  11
GLU A 336
HIS A  72
 None
 0.72A 1xwfA-2rb7A:
1.7		 1xwfA-2rb7A:
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.
2v0o FCH DOMAIN ONLY
PROTEIN 2

(Homo sapiens) 		PF00611
(FCH) 		3 THR A  32
GLU A 206
HIS A  27
 None
 0.87A 1xwfA-2v0oA:
undetectable		 1xwfA-2v0oA:
22.43
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.
2vpq ACETYL-COA
CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		3 THR A 304
GLU A 225
HIS A 333
 None
 0.80A 1xwfA-2vpqA:
undetectable		 1xwfA-2vpqA:
21.31
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.
2wag LYSOZYME, PUTATIVE

(Bacillus
anthracis) 		PF01183
(Glyco_hydro_25) 		3 THR A 186
GLU A 198
HIS A   6
 None
 0.91A 1xwfA-2wagA:
2.4		 1xwfA-2wagA:
19.44
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.
2xkk TOPOISOMERASE IV

(Acinetobacter
baumannii) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		3 THR A1361
GLU A1468
HIS A1369
 None
 0.85A 1xwfA-2xkkA:
undetectable		 1xwfA-2xkkA:
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		3 THR A 593
GLU A 237
HIS A 378
 None
 0.89A 1xwfA-2xvgA:
undetectable		 1xwfA-2xvgA:
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.
3b9t TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Methylobacillus
flagellatus) 		PF03069
(FmdA_AmdA) 		3 THR A 292
GLU A 350
HIS A 111
 None
EDO  A 494 (-3.5A)
None
 0.80A 1xwfA-3b9tA:
undetectable		 1xwfA-3b9tA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cvr INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		3 THR A 322
GLU A 447
HIS A 221
 None
 0.80A 1xwfA-3cvrA:
undetectable		 1xwfA-3cvrA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f41 PHYTASE

(Mitsuokella
multacida) 		PF14566
(PTPlike_phytase) 		3 THR A 257
GLU A 132
HIS A 222
 None
 0.79A 1xwfA-3f41A:
undetectable		 1xwfA-3f41A:
21.86
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.
3f41 PHYTASE

(Mitsuokella
multacida) 		PF14566
(PTPlike_phytase) 		3 THR A 555
GLU A 432
HIS A 520
 None
 0.85A 1xwfA-3f41A:
undetectable		 1xwfA-3f41A:
21.86
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.
3fha ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE

(Glutamicibacter
protophormiae) 		PF03644
(Glyco_hydro_85) 		3 THR A 362
GLU A 318
HIS A  85
 None
 0.92A 1xwfA-3fhaA:
undetectable		 1xwfA-3fhaA:
20.81
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.
3g8d BIOTIN CARBOXYLASE

(Escherichia
coli) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		3 THR A 304
GLU A 227
HIS A 333
 None
 0.81A 1xwfA-3g8dA:
5.1		 1xwfA-3g8dA:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hig AMILORIDE-SENSITIVE
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		3 THR A 369
GLU A 218
HIS A 362
 None
 0.92A 1xwfA-3higA:
undetectable		 1xwfA-3higA:
20.46
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.
3ixw HEMOCYANIN AA6 CHAIN

(Androctonus
australis) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		3 THR A  43
GLU A  55
HIS A  49
 None
 0.85A 1xwfA-3ixwA:
undetectable		 1xwfA-3ixwA:
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.
3jav INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1

(Rattus
norvegicus) 		PF00520
(Ion_trans)
PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08454
(RIH_assoc)
PF08709
(Ins145_P3_rec) 		3 THR A2315
GLU A2306
HIS A2331
 None
 0.57A 1xwfA-3javA:
undetectable		 1xwfA-3javA:
10.40
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.
3jck 26S PROTEASOME
REGULATORY SUBUNIT
RPN3

(Saccharomyces
cerevisiae) 		PF01399
(PCI)
PF08375
(Rpn3_C) 		3 THR A 262
GLU A 258
HIS A 225
 None
 0.72A 1xwfA-3jckA:
undetectable		 1xwfA-3jckA:
18.39
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.
3jq0 SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		3 THR A  48
GLU A 284
HIS A 209
 None
None
GOL  A   3 (-4.7A)
 0.90A 1xwfA-3jq0A:
undetectable		 1xwfA-3jq0A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k9d ALDEHYDE
DEHYDROGENASE

(Listeria
monocytogenes) 		PF00171
(Aldedh) 		3 THR A 122
GLU A  61
HIS A 144
 CL  A 465 (-4.1A)
None
None
 0.88A 1xwfA-3k9dA:
4.0		 1xwfA-3k9dA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lg5 EPI-ISOZIZAENE
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 3 THR A 156
GLU A 208
HIS A 164
 None
None
SO4  A 705 (-3.9A)
 0.81A 1xwfA-3lg5A:
undetectable		 1xwfA-3lg5A:
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.
3moz MYO-INOSITOL
HEXAPHOSPHATE
PHOSPHOHYDROLASE

(Selenomonas
ruminantium) 		PF14566
(PTPlike_phytase) 		3 THR A 259
GLU A 136
HIS A 224
 PO4  A 400 (-3.8A)
None
5IP  A 401 (-3.8A)
 0.73A 1xwfA-3mozA:
undetectable		 1xwfA-3mozA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n2x UNCHARACTERIZED
PROTEIN YAGE

(Escherichia
coli) 		PF00701
(DHDPS) 		3 THR A  36
GLU A  59
HIS A 283
 None
 0.91A 1xwfA-3n2xA:
undetectable		 1xwfA-3n2xA:
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M

(Escherichia
coli) 		no annotation 3 THR M 401
GLU M 407
HIS M 348
 None
 0.90A 1xwfA-3rkoM:
undetectable		 1xwfA-3rkoM:
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.
3slt SERINE PROTEASE ESPP

(Escherichia
coli) 		PF03797
(Autotransporter) 		3 THR A1083
GLU A1021
HIS A1086
 None
 0.90A 1xwfA-3sltA:
undetectable		 1xwfA-3sltA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t1i DOUBLE-STRAND BREAK
REPAIR PROTEIN
MRE11A

(Homo sapiens) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		3 THR A  19
GLU A 278
HIS A  63
 None
 0.81A 1xwfA-3t1iA:
undetectable		 1xwfA-3t1iA:
22.04
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.
3t6q CD180 ANTIGEN
LYMPHOCYTE ANTIGEN
86

(Mus musculus) 		PF02221
(E1_DerP2_DerF2)
PF13855
(LRR_8) 		3 THR A 306
GLU C 103
HIS A 379
 None
MAN  A 806 (-3.0A)
MAN  A 806 ( 4.0A)
 0.88A 1xwfA-3t6qA:
undetectable		 1xwfA-3t6qA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tr5 PEPTIDE CHAIN
RELEASE FACTOR 3

(Coxiella
burnetii) 		PF00009
(GTP_EFTU)
PF16658
(RF3_C) 		3 THR A 101
GLU A 279
HIS A 131
 None
 0.72A 1xwfA-3tr5A:
undetectable		 1xwfA-3tr5A:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u9s METHYLCROTONYL-COA
CARBOXYLASE,
ALPHA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		3 THR A 351
GLU A 273
HIS A 380
 None
 0.81A 1xwfA-3u9sA:
6.1		 1xwfA-3u9sA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vsv XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum) 		PF13229
(Beta_helix) 		3 THR A   8
GLU A  69
HIS A   4
 None
 0.56A 1xwfA-3vsvA:
undetectable		 1xwfA-3vsvA:
21.35
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.
3vu2 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		3 THR A 559
GLU A 193
HIS A 532
 None
 0.89A 1xwfA-3vu2A:
undetectable		 1xwfA-3vu2A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vvd AMINO ACID ABC
TRANSPORTER, BINDING
PROTEIN

(Thermus
thermophilus) 		PF00497
(SBP_bac_3) 		3 THR A  98
GLU A  38
HIS A  79
 None
 0.91A 1xwfA-3vvdA:
undetectable		 1xwfA-3vvdA:
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.
3vys HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HYPD

(Thermococcus
kodakarensis) 		PF01924
(HypD) 		3 THR B 180
GLU B 359
HIS B 202
 None
 0.88A 1xwfA-3vysB:
undetectable		 1xwfA-3vysB:
22.60
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.
3w2z METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Nostoc sp. PCC
7120) 		PF01590
(GAF) 		3 THR A 170
GLU A 163
HIS A  20
 None
 0.91A 1xwfA-3w2zA:
undetectable		 1xwfA-3w2zA:
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.
3zx1 OXIDOREDUCTASE,
PUTATIVE

(Campylobacter
jejuni) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 THR A 137
GLU A 501
HIS A 141
 None
OXY  A 605 ( 4.3A)
CU  A 602 (-3.0A)
 0.57A 1xwfA-3zx1A:
undetectable		 1xwfA-3zx1A:
22.85
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.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		3 THR A 376
GLU A 294
HIS A 369
 None
 0.62A 1xwfA-4c9mA:
undetectable		 1xwfA-4c9mA:
21.31
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.
4dg8 PA1221

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		3 THR A 258
GLU A 451
HIS A 290
 BU3  A 703 (-3.7A)
None
None
 0.88A 1xwfA-4dg8A:
3.5		 1xwfA-4dg8A:
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.
4eqm PROTEIN KINASE

(Staphylococcus
aureus) 		PF00069
(Pkinase) 		3 THR A 186
GLU A  58
HIS A 131
 None
 0.83A 1xwfA-4eqmA:
undetectable		 1xwfA-4eqmA:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fo7 METHIONINE
AMINOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF00557
(Peptidase_M24) 		3 THR A  98
GLU A 203
HIS A  79
 None
MN  A 301 (-2.7A)
None
 0.68A 1xwfA-4fo7A:
undetectable		 1xwfA-4fo7A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h6x THIAZOLINE
OXIDASE/SUBTILISIN-L
IKE PROTEASE

(Prochloron
didemni) 		PF00082
(Peptidase_S8) 		3 THR A 743
GLU A 764
HIS A 746
 None
 0.86A 1xwfA-4h6xA:
undetectable		 1xwfA-4h6xA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hg0 MAGNESIUM AND COBALT
EFFLUX PROTEIN CORC

(Escherichia
coli) 		PF00571
(CBS)
PF03471
(CorC_HlyC) 		3 THR A 213
GLU A 191
HIS A 210
 None
 0.83A 1xwfA-4hg0A:
undetectable		 1xwfA-4hg0A:
22.98
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.
4jo0 CMLA

(Streptomyces
venezuelae) 		PF12706
(Lactamase_B_2) 		3 THR A 175
GLU A 171
HIS A  69
 None
 0.84A 1xwfA-4jo0A:
undetectable		 1xwfA-4jo0A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k92 CLIP-ASSOCIATING
PROTEIN 1

(Homo sapiens) 		PF12348
(CLASP_N) 		3 THR A 477
GLU A 520
HIS A 514
 None
 0.87A 1xwfA-4k92A:
undetectable		 1xwfA-4k92A:
19.05
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.
4lxf TREHALOSE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		3 THR A 487
GLU A 555
HIS A 495
 None
None
GOL  A 702 (-4.3A)
 0.90A 1xwfA-4lxfA:
undetectable		 1xwfA-4lxfA:
20.64
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.
4m0x CHLOROMUCONATE
CYCLOISOMERASE

(Rhodococcus
opacus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 THR A  52
GLU A  64
HIS A  30
 None
 0.85A 1xwfA-4m0xA:
undetectable		 1xwfA-4m0xA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m6r METHYLTHIORIBULOSE-1
-PHOSPHATE
DEHYDRATASE

(Homo sapiens) 		PF00596
(Aldolase_II) 		3 THR A 203
GLU A  22
HIS A  52
 None
 0.84A 1xwfA-4m6rA:
undetectable		 1xwfA-4m6rA:
18.78
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.
4mv3 BIOTIN CARBOXYLASE

(Haemophilus
influenzae) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		3 THR A 304
GLU A 227
HIS A 333
 None
 0.83A 1xwfA-4mv3A:
undetectable		 1xwfA-4mv3A:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nx8 PROTEIN-TYROSINE
PHOSPHATASE 2

(Bdellovibrio
bacteriovorus) 		PF14566
(PTPlike_phytase) 		3 THR A 213
GLU A 103
HIS A 178
 None
 0.82A 1xwfA-4nx8A:
undetectable		 1xwfA-4nx8A:
19.51
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.
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		3 THR A 347
GLU A 351
HIS A 195
 EDO  A 406 (-3.7A)
None
None
 0.64A 1xwfA-4qtbA:
undetectable		 1xwfA-4qtbA:
20.99
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 3 THR A 502
GLU A 182
HIS A 519
 None
 0.88A 1xwfA-4r1dA:
undetectable		 1xwfA-4r1dA:
21.04
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.
4v1r ALPHA-1,6-MANNANASE

(Bacteroides
thetaiotaomicron) 		PF03663
(Glyco_hydro_76) 		3 THR A 129
GLU A 191
HIS A 118
 None
 0.90A 1xwfA-4v1rA:
undetectable		 1xwfA-4v1rA:
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.
4yke MRE11

(Chaetomium
thermophilum) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		3 THR A  16
GLU A 274
HIS A  60
 None
 0.64A 1xwfA-4ykeA:
undetectable		 1xwfA-4ykeA:
22.47
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.
5cl2 SPORULATION-CONTROL
PROTEIN SPO0M

(Bacillus
subtilis) 		PF07070
(Spo0M) 		3 THR A  98
GLU A 199
HIS A 137
 None
 0.88A 1xwfA-5cl2A:
undetectable		 1xwfA-5cl2A:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e9g ISOCITRATE LYASE

(Magnaporthe
oryzae) 		PF00463
(ICL) 		3 THR A  91
GLU A 501
HIS A 511
 None
 0.81A 1xwfA-5e9gA:
undetectable		 1xwfA-5e9gA:
23.06
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.
5e9h ISOCITRATE LYASE

(Fusarium
graminearum) 		PF00463
(ICL) 		3 THR A  91
GLU A 500
HIS A 510
 None
 0.77A 1xwfA-5e9hA:
2.4		 1xwfA-5e9hA:
22.03
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.
5eco JASMONIC ACID-AMIDO
SYNTHETASE JAR1

(Arabidopsis
thaliana) 		PF03321
(GH3) 		3 THR A 233
GLU A 480
HIS A 225
 None
 0.88A 1xwfA-5ecoA:
1.8		 1xwfA-5ecoA:
21.07
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.
5gt5 PECTATE LYASE

(Paenibacillus
sp. 0602) 		no annotation 3 THR A  89
GLU A 137
HIS A  77
 None
 0.83A 1xwfA-5gt5A:
undetectable		 1xwfA-5gt5A:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h9f CRISPR SYSTEM
CASCADE SUBUNIT CASC

(Escherichia
coli) 		PF09344
(Cas_CT1975) 		3 THR D 260
GLU D 351
HIS D 253
 None
 0.88A 1xwfA-5h9fD:
undetectable		 1xwfA-5h9fD:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i4q CONTACT-DEPENDENT
INHIBITOR I
ELONGATION FACTOR TU

(Escherichia
coli) 		PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
no annotation 		3 THR C 341
GLU B   6
HIS C 365
 None
 0.64A 1xwfA-5i4qC:
undetectable		 1xwfA-5i4qC:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jfm ALDEHYDE
DEHYDROGENASE

(Rhodopseudomonas
palustris) 		PF00171
(Aldedh) 		3 THR A 201
GLU A 143
HIS A 223
 None
None
1VU  A 601 (-3.9A)
 0.88A 1xwfA-5jfmA:
4.6		 1xwfA-5jfmA:
23.80
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.
5jm0 ALPHA-MANNOSIDASE,AL
PHA-MANNOSIDASE,ALPH
A-MANNOSIDASE

(Saccharomyces
cerevisiae) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		3 THR A 570
GLU A 641
HIS A 928
 None
 0.90A 1xwfA-5jm0A:
undetectable		 1xwfA-5jm0A:
16.76
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.
5joz NON-REDUCING END
ALPHA-L-ARABINOFURAN
OSIDASE BOGH43B

(Bacteroides
ovatus) 		PF04616
(Glyco_hydro_43) 		3 THR A 447
GLU A 408
HIS A 420
 None
 0.84A 1xwfA-5jozA:
undetectable		 1xwfA-5jozA:
21.43
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 3 THR A1028
GLU A 112
HIS A 972
 None
CA  A1106 (-4.7A)
CU  A1105 (-3.3A)
 0.92A 1xwfA-5n4lA:
undetectable		 1xwfA-5n4lA:
11.03
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.
5n9m COBYRIC ACID
SYNTHASE

(Staphylococcus
aureus) 		no annotation 3 THR A  92
GLU A 176
HIS A 189
 None
 0.89A 1xwfA-5n9mA:
undetectable		 1xwfA-5n9mA:
11.51
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		3 THR A2785
GLU A2842
HIS A2791
 None
 0.90A 1xwfA-5nugA:
undetectable		 1xwfA-5nugA:
6.93
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.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT A

(Methanothermococcus
thermolithotrophicus) 		PF07992
(Pyr_redox_2)
PF13187
(Fer4_9) 		3 THR A 287
GLU A 263
HIS A 292
 None
 0.85A 1xwfA-5odrA:
5.1		 1xwfA-5odrA:
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.
5t1d GLYCOPROTEIN 42

(Human
gammaherpesvirus
4) 		no annotation 3 THR C  84
GLU C 207
HIS C 191
 None
 0.83A 1xwfA-5t1dC:
undetectable		 1xwfA-5t1dC:
17.30
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.
5tjr METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Pseudomonas sp.
AAC) 		PF00171
(Aldedh) 		3 THR A   2
GLU A  89
HIS A 202
 None
 0.78A 1xwfA-5tjrA:
undetectable		 1xwfA-5tjrA:
23.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tov ADENOSYLHOMOCYSTEINA
SE

(Thermotoga
maritima) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 THR A  46
GLU A 139
HIS A 336
 None
 0.81A 1xwfA-5tovA:
38.2		 1xwfA-5tovA:
40.95
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.
5uz5 PRE-MRNA-PROCESSING
FACTOR 39

(Saccharomyces
cerevisiae) 		no annotation 3 THR E 566
GLU E 579
HIS E 563
 None
 0.80A 1xwfA-5uz5E:
undetectable		 1xwfA-5uz5E:
21.72
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.
5veu CYTOCHROME P450 3A5

(Homo sapiens) 		no annotation 3 THR A 409
GLU A 362
HIS A 403
 None
 0.90A 1xwfA-5veuA:
undetectable		 1xwfA-5veuA:
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.
5vgz 26S PROTEASOME
REGULATORY SUBUNIT 4
26S PROTEASOME
REGULATORY SUBUNIT 8

(Homo sapiens) 		no annotation 3 THR B 111
GLU C  92
HIS B 131
 None
 0.78A 1xwfA-5vgzB:
undetectable		 1xwfA-5vgzB:
11.91
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.
5vsl RADICAL S-ADENOSYL
METHIONINE
DOMAIN-CONTAINING
PROTEIN 2

(Mus musculus) 		PF04055
(Radical_SAM)
PF13353
(Fer4_12) 		3 THR A  97
GLU A 257
HIS A  79
 None
 0.81A 1xwfA-5vslA:
undetectable		 1xwfA-5vslA:
21.06
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.
5w94 MAU2 CHROMATID
COHESION FACTOR
HOMOLOG

(Saccharomyces
cerevisiae) 		PF10345
(Cohesin_load) 		3 THR A 359
GLU A 352
HIS A 297
 None
 0.91A 1xwfA-5w94A:
undetectable		 1xwfA-5w94A:
21.04
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.
5wy4 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		no annotation 3 THR A 150
GLU A 119
HIS A 128
 None
 0.84A 1xwfA-5wy4A:
undetectable		 1xwfA-5wy4A:
12.14
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.
5xqo PCRGLX PROTEIN

(Penicillium
chrysogenum) 		no annotation 3 THR A 858
GLU A 825
HIS A 820
 None
 0.88A 1xwfA-5xqoA:
undetectable		 1xwfA-5xqoA:
11.37
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.
5z2g L-AMINO ACID OXIDASE

(Naja atra) 		no annotation 3 THR A 488
GLU A  32
HIS A 114
 None
 0.84A 1xwfA-5z2gA:
undetectable		 1xwfA-5z2gA:
11.03
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.
6chd LYSINE--TRNA LIGASE

(Homo sapiens) 		no annotation 3 THR A 337
GLU A 494
HIS A 331
 KAA  A 601 (-4.4A)
KAA  A 601 (-3.0A)
KAA  A 601 (-4.2A)
 0.89A 1xwfA-6chdA:
undetectable		 1xwfA-6chdA:
13.64
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.
6d6q EXOSOME COMPLEX
EXONUCLEASE RRP44

(Homo sapiens) 		no annotation 3 THR K 262
GLU K 289
HIS K 266
 None
 0.90A 1xwfA-6d6qK:
undetectable		 1xwfA-6d6qK:
10.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6erc PEROXINECTIN A

(Dictyostelium
discoideum) 		no annotation 3 THR A 293
GLU A 327
HIS A 464
 None
HEM  A 604 (-3.8A)
None
 0.72A 1xwfA-6ercA:
undetectable		 1xwfA-6ercA:
11.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 3 THR A 444
GLU A 467
HIS A 395
 None
 0.48A 1xwfA-6etzA:
undetectable		 1xwfA-6etzA:
11.89
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.
6evg MULTI-COPPER OXIDASE
CUEO

(Ochrobactrum) 		no annotation 3 THR A  89
GLU A 496
HIS A  93
 None
 0.75A 1xwfA-6evgA:
undetectable		 1xwfA-6evgA:
12.41