SIMILAR PATTERNS OF AMINO ACIDS FOR 1XWF_B_ADNB433_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
 1.15A 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