SIMILAR PATTERNS OF AMINO ACIDS FOR 1XWF_A_ADNA433_1

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