SIMILAR PATTERNS OF AMINO ACIDS FOR 1XWF_B_ADNB433

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
 1.15A 1xwfB-1ccrA:
undetectable		 1xwfB-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 1xwfB-1cozA:
3.3		 1xwfB-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
 1.03A 1xwfB-1v8bA:
50.1		 1xwfB-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
 0.99A 1xwfB-1v8bA:
50.1		 1xwfB-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
 0.81A 1xwfB-1v8bA:
50.1		 1xwfB-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
 1.00A 1xwfB-1v8bA:
50.1		 1xwfB-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.
1wix HOOK HOMOLOG 1

(Mus musculus) 		PF05622
(HOOK) 		5 LEU A  74
GLU A 112
LEU A  18
LEU A 117
GLY A 114
 None
 1.19A 1xwfB-1wixA:
undetectable		 1xwfB-1wixA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.06A 1xwfB-1xnfA:
undetectable		 1xwfB-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
 1.16A 1xwfB-1y23A:
undetectable		 1xwfB-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)
 1.04A 1xwfB-2c27A:
undetectable		 1xwfB-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.
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)
 1.05A 1xwfB-2y8uA:
undetectable		 1xwfB-2y8uA:
19.07
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.
3aja PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycolicibacterium
smegmatis) 		PF01083
(Cutinase) 		5 LEU A 206
THR A 261
ASP A 209
ASP A 184
GLY A 253
 None
 1.20A 1xwfB-3ajaA:
5.2		 1xwfB-3ajaA:
22.10
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)
 1.08A 1xwfB-3ce6A:
50.4		 1xwfB-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 1xwfB-3ce6A:
50.4		 1xwfB-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)
 0.75A 1xwfB-3ce6A:
50.4		 1xwfB-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)
 1.38A 1xwfB-3ce6A:
50.4		 1xwfB-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)
 0.99A 1xwfB-3ce6A:
50.4		 1xwfB-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)
 0.80A 1xwfB-3ce6A:
50.4		 1xwfB-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)
 0.80A 1xwfB-3ce6A:
50.4		 1xwfB-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
 0.98A 1xwfB-3g1uA:
54.2		 1xwfB-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
 0.90A 1xwfB-3g1uA:
54.2		 1xwfB-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 1xwfB-3g1uA:
54.2		 1xwfB-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
 1.20A 1xwfB-3g1uA:
54.2		 1xwfB-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
 0.92A 1xwfB-3g1uA:
54.2		 1xwfB-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 1xwfB-3g1uA:
54.2		 1xwfB-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)
 1.03A 1xwfB-3glqA:
52.9		 1xwfB-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)
 0.69A 1xwfB-3glqA:
52.9		 1xwfB-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
 0.68A 1xwfB-3glqA:
52.9		 1xwfB-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
 1.28A 1xwfB-3glqA:
52.9		 1xwfB-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
 0.96A 1xwfB-3glqA:
52.9		 1xwfB-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
 0.79A 1xwfB-3glqA:
52.9		 1xwfB-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
 0.73A 1xwfB-3glqA:
52.9		 1xwfB-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
 1.03A 1xwfB-3h9uA:
56.6		 1xwfB-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
 1.03A 1xwfB-3h9uA:
56.6		 1xwfB-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
 0.95A 1xwfB-3h9uA:
56.6		 1xwfB-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
 0.72A 1xwfB-3h9uA:
56.6		 1xwfB-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
 0.94A 1xwfB-3h9uA:
56.6		 1xwfB-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 1xwfB-3h9uA:
56.6		 1xwfB-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 1xwfB-3hp7A:
5.1		 1xwfB-3hp7A:
22.05
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) 		5 ASP A 226
LEU A 378
LEU A 381
GLY A 386
MET A 392
 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)
 0.96A 1xwfB-3n58A:
52.7		 1xwfB-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
 0.98A 1xwfB-3n58A:
52.7		 1xwfB-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
 0.92A 1xwfB-3n58A:
52.7		 1xwfB-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) 		5 HIS A 337
LEU A 378
LEU A 381
GLY A 386
MET A 392
 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)
 0.67A 1xwfB-3n58A:
52.7		 1xwfB-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
 1.31A 1xwfB-3n58A:
52.7		 1xwfB-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
 0.93A 1xwfB-3n58A:
52.7		 1xwfB-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
 0.76A 1xwfB-3n58A:
52.7		 1xwfB-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)
 0.97A 1xwfB-3oneA:
49.7		 1xwfB-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)
 0.80A 1xwfB-3oneA:
49.7		 1xwfB-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
ASP A 239
LEU A 395
LEU A 398
GLY A 403
MET A 409
 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)
 1.06A 1xwfB-3oneA:
49.7		 1xwfB-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)
 0.96A 1xwfB-3oneA:
49.7		 1xwfB-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)
 0.83A 1xwfB-3oneA:
49.7		 1xwfB-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
HIS A 350
LEU A 395
LEU A 398
GLY A 403
MET A 409
 None
None
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
 0.85A 1xwfB-3oneA:
49.7		 1xwfB-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
HIS A 350
LEU A 398
GLY A 403
MET A 409
PHE A 413
 None
None
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.87A 1xwfB-3oneA:
49.7		 1xwfB-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)
 0.92A 1xwfB-3oneA:
49.7		 1xwfB-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.
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
 1.08A 1xwfB-4l8lA:
5.0		 1xwfB-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)
 0.70A 1xwfB-4lvcA:
52.2		 1xwfB-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 LEU A  57
ASP A 231
LEU A 383
LEU A 386
GLY A 391
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 (-4.8A)
 1.09A 1xwfB-4lvcA:
52.2		 1xwfB-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
ASP A 231
LEU A 386
GLY A 391
PHE A 401
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-3.0A)
ADN  A 501 (-3.1A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-4.8A)
 0.98A 1xwfB-4lvcA:
52.2		 1xwfB-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)
 0.76A 1xwfB-4lvcA:
52.2		 1xwfB-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
ASP A 231
GLY A 391
PHE A 401
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-3.1A)
ADN  A 501 (-3.6A)
ADN  A 501 (-4.8A)
 0.85A 1xwfB-4lvcA:
52.2		 1xwfB-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 1xwfB-4lvcA:
52.2		 1xwfB-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 LEU A  57
LEU A 383
LEU A 386
GLY A 391
MET A 397
PHE A 401
 None
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)
 0.80A 1xwfB-4lvcA:
52.2		 1xwfB-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 LEU A  57
THR A  60
ASP A 231
LEU A 383
GLY A 391
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 (-4.8A)
 1.10A 1xwfB-4lvcA:
52.2		 1xwfB-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 LEU A  57
THR A  60
LEU A 383
GLY A 391
MET A 397
PHE A 401
 None
ADN  A 501 (-2.8A)
NAD  A 503 ( 3.9A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.74A 1xwfB-4lvcA:
52.2		 1xwfB-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)
 0.83A 1xwfB-4lvcA:
52.2		 1xwfB-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
 1.02A 1xwfB-4oj5A:
undetectable		 1xwfB-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)
 1.17A 1xwfB-4uy6A:
4.4		 1xwfB-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.
5lki TCDA1

(Photorhabdus
luminescens) 		PF03538
(VRP1) 		5 LEU A1613
THR A1607
GLU A1634
LEU A1766
GLY A1762
 None
 1.20A 1xwfB-5lkiA:
undetectable		 1xwfB-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)
 0.93A 1xwfB-5utuA:
48.5		 1xwfB-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)
 1.01A 1xwfB-5utuA:
48.5		 1xwfB-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) 		7 LEU A  58
ASP A 231
LEU A 386
LEU A 389
GLY A 394
MET A 400
PHE A 404
 None
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 1xwfB-5v96A:
51.6		 1xwfB-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
HIS A  59
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 (-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)
 0.95A 1xwfB-5v96A:
51.6		 1xwfB-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)
 0.83A 1xwfB-5v96A:
51.6		 1xwfB-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)
 0.99A 1xwfB-5v96A:
51.6		 1xwfB-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
 0.80A 1xwfB-5w4bA:
58.7		 1xwfB-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
 0.64A 1xwfB-5w4bA:
58.7		 1xwfB-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)
 1.17A 1xwfB-5w4bA:
58.7		 1xwfB-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
 0.59A 1xwfB-5w4bA:
58.7		 1xwfB-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
 1.19A 1xwfB-5xgwA:
2.4		 1xwfB-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.
5yy3 -

(-) 		no annotation 5 HIS A 346
ASP A 322
HIS A 180
LEU A 350
GLY A 351
 None
 1.14A 1xwfB-5yy3A:
undetectable		 1xwfB-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) 		5 ASP A 195
LEU A 349
LEU A 352
GLY A 357
MET A 363
 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)
 1.05A 1xwfB-6aphA:
57.4		 1xwfB-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
 0.98A 1xwfB-6aphA:
57.4		 1xwfB-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
 0.89A 1xwfB-6aphA:
57.4		 1xwfB-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) 		5 HIS A 306
LEU A 349
LEU A 352
GLY A 357
MET A 363
 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)
 0.78A 1xwfB-6aphA:
57.4		 1xwfB-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
 1.33A 1xwfB-6aphA:
57.4		 1xwfB-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
 0.95A 1xwfB-6aphA:
57.4		 1xwfB-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
 0.79A 1xwfB-6aphA:
57.4		 1xwfB-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)
 0.99A 1xwfB-6f3mB:
51.4		 1xwfB-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)
 1.02A 1xwfB-6f3mB:
51.4		 1xwfB-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 1xwfB-6f3mB:
51.4		 1xwfB-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)
 0.73A 1xwfB-6f3mB:
51.4		 1xwfB-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)
 0.76A 1xwfB-6f3mB:
51.4		 1xwfB-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
 0.96A 1xwfB-6gbnA:
57.5		 1xwfB-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
 0.96A 1xwfB-6gbnA:
57.5		 1xwfB-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
 0.86A 1xwfB-6gbnA:
57.5		 1xwfB-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
 0.71A 1xwfB-6gbnA:
57.5		 1xwfB-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
 0.94A 1xwfB-6gbnA:
57.5		 1xwfB-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
 0.76A 1xwfB-6gbnA:
57.5		 1xwfB-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
 0.96A 1xwfB-6gbnA:
57.5		 1xwfB-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
 0.76A 1xwfB-6gbnA:
57.5		 1xwfB-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
 0.89A 1xwfB-1a6cA:
0.0		 1xwfB-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 1xwfB-1dquA:
0.0		 1xwfB-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
 0.79A 1xwfB-1f6dA:
4.7		 1xwfB-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.
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
 0.79A 1xwfB-1kcwA:
0.0		 1xwfB-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.
1kvn SRP19

(Archaeoglobus
fulgidus) 		PF01922
(SRP19) 		3 THR A   8
GLU A  61
HIS A  35
 None
 0.42A 1xwfB-1kvnA:
0.0		 1xwfB-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
 0.82A 1xwfB-1nyqA:
0.0		 1xwfB-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
 0.65A 1xwfB-1p49A:
0.6		 1xwfB-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
 0.91A 1xwfB-1urjA:
0.0		 1xwfB-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)
 0.89A 1xwfB-1xrzA:
undetectable		 1xwfB-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
 0.81A 1xwfB-1yq2A:
undetectable		 1xwfB-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
 0.74A 1xwfB-1zwxA:
undetectable		 1xwfB-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
 0.91A 1xwfB-2dy3A:
undetectable		 1xwfB-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
 0.79A 1xwfB-2f17A:
undetectable		 1xwfB-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
 0.52A 1xwfB-2f9hA:
undetectable		 1xwfB-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)
 0.74A 1xwfB-2fqdA:
undetectable		 1xwfB-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.
2iuj LIPOXYGENASE L-5

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		3 THR A 788
GLU A 167
HIS A 536
 None
 0.89A 1xwfB-2iujA:
undetectable		 1xwfB-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
 0.75A 1xwfB-2oo3A:
4.9		 1xwfB-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
 0.71A 1xwfB-2rb7A:
undetectable		 1xwfB-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.
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 1xwfB-2vpqA:
undetectable		 1xwfB-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
 0.89A 1xwfB-2wagA:
2.4		 1xwfB-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
 0.86A 1xwfB-2xkkA:
undetectable		 1xwfB-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
 0.90A 1xwfB-2xvgA:
undetectable		 1xwfB-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
 0.78A 1xwfB-3b9tA:
undetectable		 1xwfB-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
 0.84A 1xwfB-3cvrA:
undetectable		 1xwfB-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
 0.85A 1xwfB-3f41A:
undetectable		 1xwfB-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
 0.89A 1xwfB-3f41A:
undetectable		 1xwfB-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.
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 1xwfB-3g8dA:
5.6		 1xwfB-3g8dA:
23.09
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) 		3 THR A  67
GLU A 199
HIS A 394
 RAB  A 602 (-4.5A)
RAB  A 602 (-4.6A)
NAD  A 601 ( 3.6A)
 0.81A 1xwfB-3glqA:
52.9		 1xwfB-3glqA:
56.97
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.
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
 0.90A 1xwfB-3higA:
undetectable		 1xwfB-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.
3id6 PRE MRNA SPLICING
PROTEIN

(Sulfolobus
solfataricus) 		PF01798
(Nop) 		3 THR A  51
GLU A  66
HIS A   9
 None
 0.90A 1xwfB-3id6A:
undetectable		 1xwfB-3id6A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.88A 1xwfB-3ixwA:
undetectable		 1xwfB-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 1xwfB-3javA:
undetectable		 1xwfB-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.
3jb9 PRE-MRNA-SPLICING
FACTOR SPP42

(Schizosaccharomyces
pombe) 		PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		3 THR A1112
GLU A 969
HIS A1096
 None
 0.91A 1xwfB-3jb9A:
undetectable		 1xwfB-3jb9A:
10.78
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.
3jck 26S PROTEASOME
REGULATORY SUBUNIT
RPN3

(Saccharomyces
cerevisiae) 		PF01399
(PCI)
PF08375
(Rpn3_C) 		3 THR A 262
GLU A 258
HIS A 225
 None
 0.68A 1xwfB-3jckA:
undetectable		 1xwfB-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.
3k9d ALDEHYDE
DEHYDROGENASE

(Listeria
monocytogenes) 		PF00171
(Aldedh) 		3 THR A 122
GLU A  61
HIS A 144
 CL  A 465 (-4.1A)
None
None
 0.85A 1xwfB-3k9dA:
4.3		 1xwfB-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)
 0.84A 1xwfB-3lg5A:
undetectable		 1xwfB-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)
 0.77A 1xwfB-3mozA:
undetectable		 1xwfB-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
 0.92A 1xwfB-3n2xA:
undetectable		 1xwfB-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.
3rj8 CARBOHYDRATE OXIDASE

(Microdochium
nivale) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		3 THR A  46
GLU A 174
HIS A 105
 None
 0.91A 1xwfB-3rj8A:
undetectable		 1xwfB-3rj8A:
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.
3slt SERINE PROTEASE ESPP

(Escherichia
coli) 		PF03797
(Autotransporter) 		3 THR A1083
GLU A1021
HIS A1086
 None
 0.90A 1xwfB-3sltA:
undetectable		 1xwfB-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
 0.85A 1xwfB-3t1iA:
undetectable		 1xwfB-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)
 0.85A 1xwfB-3t6qA:
undetectable		 1xwfB-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
 0.73A 1xwfB-3tr5A:
undetectable		 1xwfB-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.
3tx8 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Corynebacterium
glutamicum) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		3 THR A  19
GLU A 349
HIS A  77
 None
 0.84A 1xwfB-3tx8A:
undetectable		 1xwfB-3tx8A:
22.27
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.
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
 0.83A 1xwfB-3u9sA:
6.2		 1xwfB-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
 0.59A 1xwfB-3vsvA:
undetectable		 1xwfB-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
 0.86A 1xwfB-3vu2A:
undetectable		 1xwfB-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
 0.89A 1xwfB-3vvdA:
undetectable		 1xwfB-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
 0.87A 1xwfB-3vysB:
undetectable		 1xwfB-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 1xwfB-3w2zA:
undetectable		 1xwfB-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)
 0.56A 1xwfB-3zx1A:
undetectable		 1xwfB-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 1xwfB-4c9mA:
undetectable		 1xwfB-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
 0.87A 1xwfB-4dg8A:
3.3		 1xwfB-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
 0.80A 1xwfB-4eqmA:
undetectable		 1xwfB-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
 0.67A 1xwfB-4fo7A:
undetectable		 1xwfB-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
 0.85A 1xwfB-4h6xA:
undetectable		 1xwfB-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
 0.82A 1xwfB-4hg0A:
undetectable		 1xwfB-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
 0.82A 1xwfB-4jo0A:
undetectable		 1xwfB-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
 0.86A 1xwfB-4k92A:
undetectable		 1xwfB-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)
 0.91A 1xwfB-4lxfA:
undetectable		 1xwfB-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 1xwfB-4m0xA:
undetectable		 1xwfB-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 1xwfB-4m6rA:
undetectable		 1xwfB-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 1xwfB-4mv3A:
undetectable		 1xwfB-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
 0.87A 1xwfB-4nx8A:
undetectable		 1xwfB-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
 0.68A 1xwfB-4qtbA:
undetectable		 1xwfB-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
 0.85A 1xwfB-4r1dA:
undetectable		 1xwfB-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.
4yke MRE11

(Chaetomium
thermophilum) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		3 THR A  16
GLU A 274
HIS A  60
 None
 0.68A 1xwfB-4ykeA:
undetectable		 1xwfB-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.
5a6b N-ACETYL-BETA-D-GLUC
OSAMINIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		3 THR D 159
GLU D 367
HIS D 262
 None
 0.86A 1xwfB-5a6bD:
undetectable		 1xwfB-5a6bD:
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.
5cl2 SPORULATION-CONTROL
PROTEIN SPO0M

(Bacillus
subtilis) 		PF07070
(Spo0M) 		3 THR A  98
GLU A 199
HIS A 137
 None
 0.83A 1xwfB-5cl2A:
undetectable		 1xwfB-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
 0.83A 1xwfB-5e9gA:
undetectable		 1xwfB-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 1xwfB-5e9hA:
undetectable		 1xwfB-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
 0.87A 1xwfB-5ecoA:
undetectable		 1xwfB-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
 0.84A 1xwfB-5gt5A:
undetectable		 1xwfB-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 1xwfB-5h9fD:
undetectable		 1xwfB-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
 0.61A 1xwfB-5i4qC:
undetectable		 1xwfB-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.
5ivw GENERAL
TRANSCRIPTION FACTOR
IIH SUBUNIT 3

(Homo sapiens) 		PF03850
(Tfb4) 		3 THR 3 120
GLU 3  66
HIS 3 128
 None
 0.91A 1xwfB-5ivw3:
undetectable		 1xwfB-5ivw3:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1xwfB-5jfmA:
4.3		 1xwfB-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
 0.87A 1xwfB-5jm0A:
undetectable		 1xwfB-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
 0.86A 1xwfB-5jozA:
undetectable		 1xwfB-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)
 0.91A 1xwfB-5n4lA:
undetectable		 1xwfB-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.
5nzg UDP-GLUCOSE
PYROPHOSPHORYLASE

(Leishmania
major) 		no annotation 3 THR A 461
GLU A 251
HIS A 410
 None
EDO  A 609 (-4.8A)
EDO  A 609 (-3.1A)
 0.91A 1xwfB-5nzgA:
undetectable		 1xwfB-5nzgA:
12.04
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.
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
 0.84A 1xwfB-5odrA:
5.2		 1xwfB-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 1xwfB-5t1dC:
undetectable		 1xwfB-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
 0.80A 1xwfB-5tjrA:
2.3		 1xwfB-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
 0.84A 1xwfB-5tovA:
38.5		 1xwfB-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
 0.81A 1xwfB-5uz5E:
undetectable		 1xwfB-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.
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
 0.77A 1xwfB-5vgzB:
3.7		 1xwfB-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
 0.77A 1xwfB-5vslA:
undetectable		 1xwfB-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 1xwfB-5w94A:
undetectable		 1xwfB-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 1xwfB-5wy4A:
undetectable		 1xwfB-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
 0.90A 1xwfB-5xqoA:
undetectable		 1xwfB-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
 0.82A 1xwfB-5z2gA:
undetectable		 1xwfB-5z2gA:
11.03
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) 		3 THR A  63
GLU A 161
HIS A 358
 ADN  A 501 (-4.5A)
ADN  A 501 (-2.5A)
ADN  A 501 ( 3.5A)
 0.83A 1xwfB-6aphA:
57.4		 1xwfB-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.
6bng 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Acinetobacter
baumannii) 		no annotation 3 THR A 126
GLU A 161
HIS A 154
 None
 0.91A 1xwfB-6bngA:
undetectable		 1xwfB-6bngA:
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)
 0.90A 1xwfB-6chdA:
undetectable		 1xwfB-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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum) 		no annotation 3 THR A 293
GLU A 327
HIS A 464
 None
HEM  A 604 (-3.8A)
None
 0.73A 1xwfB-6ercA:
undetectable		 1xwfB-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
 0.50A 1xwfB-6etzA:
undetectable		 1xwfB-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
 0.76A 1xwfB-6evgA:
undetectable		 1xwfB-6evgA:
12.41
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.
6f0k POLYSULPHIDE
REDUCTASE NRFD

(Rhodothermus
marinus) 		no annotation 3 THR C 315
GLU C 394
HIS C 247
 None
 0.90A 1xwfB-6f0kC:
undetectable		 1xwfB-6f0kC:
10.38
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.
6gbn -

(-) 		no annotation 3 THR A  61
GLU A 159
HIS A 356
 ADN  A 501 (-4.6A)
ADN  A 501 (-3.9A)
ADN  A 501 (-3.4A)
 0.91A 1xwfB-6gbnA:
57.5		 1xwfB-6gbnA:
undetectable