SIMILAR PATTERNS OF AMINO ACIDS FOR 5Z6L_A_FOLA201

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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 ALA A   8
ASP A  27
ILE A  51
PRO A  56
ARG A  58
 None
 0.53A 5z6lA-1cz3A:
19.9		 5z6lA-1cz3A:
28.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jo0 HYPOTHETICAL PROTEIN
HI1333

(Haemophilus
influenzae) 		PF01985
(CRS1_YhbY) 		5 ILE A  64
ALA A  66
LEU A  25
ILE A  48
PRO A  21
 None
None
None
None
GOL  A 100 (-4.3A)
 1.44A 5z6lA-1jo0A:
undetectable		 5z6lA-1jo0A:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 ASP A  36
LEU A  37
LYS A  41
PRO A  64
ARG A  66
 None
 1.21A 5z6lA-1juvA:
17.6		 5z6lA-1juvA:
27.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 ILE A 127
LEU A  37
LYS A  41
PRO A  64
ARG A  66
 None
 1.46A 5z6lA-1juvA:
17.6		 5z6lA-1juvA:
27.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1txu RAB5 GDP/GTP
EXCHANGE FACTOR

(Homo sapiens) 		PF02204
(VPS9) 		5 ILE A 242
ALA A 244
MET A 385
LEU A 369
PRO A 317
 ILE  A 242 ( 0.7A)
ALA  A 244 ( 0.0A)
TRP  A 247 ( 3.6A)
LEU  A 369 ( 0.6A)
PRO  A 317 ( 1.1A)
 1.36A 5z6lA-1txuA:
undetectable		 5z6lA-1txuA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1um2 ENDONUCLEASE PI-SCEI

(Saccharomyces
cerevisiae) 		PF05203
(Hom_end_hint)
PF05204
(Hom_end) 		5 ILE A 666
ALA A 620
LEU A 602
ILE A 499
PRO A 587
 None
 1.40A 5z6lA-1um2A:
undetectable		 5z6lA-1um2A:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xfu CALMODULIN-SENSITIVE
ADENYLATE CYCLASE

(Bacillus
anthracis) 		PF03497
(Anthrax_toxA)
PF07737
(ATLF) 		5 ILE A 173
ALA A 244
MET A 268
LEU A 179
ILE A  89
 None
 1.30A 5z6lA-1xfuA:
undetectable		 5z6lA-1xfuA:
11.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xv2 HYPOTHETICAL
PROTEIN, SIMILAR TO
ALPHA-ACETOLACTATE
DECARBOXYLASE

(Staphylococcus
aureus) 		PF03306
(AAL_decarboxy) 		5 ILE A 230
ALA A 233
MET A 126
LEU A  14
ILE A  36
 None
 1.32A 5z6lA-1xv2A:
undetectable		 5z6lA-1xv2A:
21.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
ILE A  50
PRO A  55
ARG A  57
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3484 ( 4.4A)
SO4  A3484 (-3.3A)
 0.49A 5z6lA-1zdrA:
25.0		 5z6lA-1zdrA:
40.49
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		5 ILE A  13
ALA A  15
ASP A  53
ILE A 121
PRO A 129
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
None
 0.82A 5z6lA-2blbA:
20.3		 5z6lA-2blbA:
23.77
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		5 ILE A  13
ALA A  15
ASP A  53
PRO A 129
ARG A 131
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
MES  A1241 (-2.7A)
 0.41A 5z6lA-2blbA:
20.3		 5z6lA-2blbA:
23.77
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  28
ASP A  48
ILE A  84
PRO A  92
ARG A  94
 NAP  A 523 (-3.7A)
None
None
None
None
 0.54A 5z6lA-2h2qA:
19.8		 5z6lA-2h2qA:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  11
ASP A  32
LEU A  33
ILE A  62
ARG A  70
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 3.1A)
 0.72A 5z6lA-2oipA:
21.6		 5z6lA-2oipA:
16.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		6 ALA A   8
LEU A  29
LYS A  33
ILE A  51
PRO A  56
ARG A  58
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.8A)
MTX  A 200 ( 2.8A)
 0.70A 5z6lA-2qk8A:
25.0		 5z6lA-2qk8A:
40.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		5 ALA A  11
ASP A  31
LEU A  32
PRO A  62
ARG A  64
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
None
VG9  A1168 ( 3.7A)
 0.60A 5z6lA-2w3wA:
25.5		 5z6lA-2w3wA:
33.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
ASP A  27
LEU A  28
ILE A  50
PRO A  55
ARG A  57
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
 0.61A 5z6lA-2w9sA:
25.5		 5z6lA-2w9sA:
37.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
PRO A  55
ARG A  57
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
None
 0.82A 5z6lA-2w9sA:
25.5		 5z6lA-2w9sA:
37.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xfb E1 ENVELOPE
GLYCOPROTEIN

(Chikungunya
virus) 		PF01589
(Alpha_E1_glycop) 		5 ILE A 142
ALA A 159
LEU A  29
PRO A  14
ARG A 134
 None
 1.46A 5z6lA-2xfbA:
undetectable		 5z6lA-2xfbA:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bdz P450CIN

(Citrobacter
braakii) 		PF00067
(p450) 		5 ILE A 129
ALA A 360
LEU A 365
ILE A 394
PRO A 397
 None
 1.29A 5z6lA-3bdzA:
undetectable		 5z6lA-3bdzA:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
ASP A  26
LEU A  27
PRO A  55
ARG A  57
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
None
MTX  A 164 ( 2.9A)
 0.63A 5z6lA-3dfrA:
23.6		 5z6lA-3dfrA:
29.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		5 ILE A  14
ALA A  16
ASP A  54
ILE A 112
ARG A 122
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.8A)
None
 0.65A 5z6lA-3dg8A:
20.6		 5z6lA-3dg8A:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eb8 CYSTEINE
PROTEASE-LIKE VIRA

(Shigella
flexneri) 		PF06872
(EspG) 		5 ALA A 269
ASP A 267
LEU A 264
ILE A 200
PRO A 208
 None
 1.48A 5z6lA-3eb8A:
undetectable		 5z6lA-3eb8A:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fzp PROTEIN TYROSINE
KINASE 2 BETA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 551
MET A 610
ASP A 549
LYS A 585
ILE A 597
 None
 1.48A 5z6lA-3fzpA:
undetectable		 5z6lA-3fzpA:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
ASP X  27
LEU X  28
LYS X  32
ILE X  50
PRO X  55
ARG X  57
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
None
N22  X 219 (-4.6A)
None
None
 0.73A 5z6lA-3i8aX:
25.4		 5z6lA-3i8aX:
36.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		7 ILE A   6
ALA A   8
LEU A  29
LYS A  33
ILE A  51
PRO A  56
ARG A  58
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.0A)
MTX  A 164 (-3.2A)
MTX  A 164 (-4.1A)
None
MTX  A 164 (-2.9A)
 0.68A 5z6lA-3ia4A:
27.9		 5z6lA-3ia4A:
55.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		7 ILE A   6
ALA A   8
MET A  21
LEU A  29
LYS A  33
PRO A  56
ARG A  58
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-3.3A)
MTX  A 164 (-4.0A)
MTX  A 164 (-3.2A)
None
MTX  A 164 (-2.9A)
 0.81A 5z6lA-3ia4A:
27.9		 5z6lA-3ia4A:
55.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		6 ILE A   8
ALA A  10
LEU A  31
LYS A  35
PRO A  59
ARG A  61
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.1A)
MTX  A 200 ( 4.7A)
MTX  A 200 (-2.9A)
 0.61A 5z6lA-3ix9A:
24.5		 5z6lA-3ix9A:
41.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nf4 ACYL-COA
DEHYDROGENASE

(Mycolicibacterium
thermoresistibile) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A 320
ASP A 244
LEU A 243
ILE A 372
ARG A 379
 None
 1.39A 5z6lA-3nf4A:
undetectable		 5z6lA-3nf4A:
17.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		8 ILE A   6
ALA A   8
ASP A  28
LEU A  29
LYS A  33
ILE A  51
PRO A  56
ARG A  58
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
None
MTX  A2001 (-4.3A)
None
MTX  A2001 (-2.8A)
 0.62A 5z6lA-3tq9A:
25.5		 5z6lA-3tq9A:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		5 ILE A  94
LYS A  33
ILE A  51
PRO A  56
ARG A  58
 None
None
MTX  A2001 (-4.3A)
None
MTX  A2001 (-2.8A)
 1.24A 5z6lA-3tq9A:
25.5		 5z6lA-3tq9A:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		5 ALA A   8
ASP A  28
LYS A  33
ILE A  57
ARG A  67
 None
 1.10A 5z6lA-3vcoA:
18.2		 5z6lA-3vcoA:
32.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w8s GLUTATHIONE
S-TRANSFERASE-3

(Necator
americanus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 ILE A  67
ALA A  62
LEU A  51
ILE A  32
ARG A  19
 None
None
GSH  A 301 (-4.5A)
None
None
 1.29A 5z6lA-3w8sA:
undetectable		 5z6lA-3w8sA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wxb UNCHARACTERIZED
PROTEIN

(Gallus gallus) 		PF00106
(adh_short) 		5 ILE A  74
ALA A  78
MET A 134
LEU A  10
ILE A 154
 None
 1.30A 5z6lA-3wxbA:
undetectable		 5z6lA-3wxbA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f3m BH0337 PROTEIN

(Bacillus
halodurans) 		PF09704
(Cas_Cas5d) 		5 ILE A  55
ALA A  37
LEU A   9
ILE A  45
PRO A 146
 None
None
None
None
EDO  A 301 (-4.5A)
 1.49A 5z6lA-4f3mA:
undetectable		 5z6lA-4f3mA:
20.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		5 ILE A   9
ALA A  11
ILE A  62
PRO A  70
ARG A  72
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 ( 4.8A)
None
None
 0.75A 5z6lA-4h96A:
17.9		 5z6lA-4h96A:
32.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		5 ILE A   9
ALA A  11
ILE A  62
PRO A  70
ARG A  72
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-4.2A)
None
None
 0.49A 5z6lA-4h98A:
19.1		 5z6lA-4h98A:
26.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 5 ILE A 446
ALA A 458
ILE A 467
PRO A 471
ARG A 491
 None
 1.47A 5z6lA-4lgnA:
undetectable		 5z6lA-4lgnA:
12.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		5 ILE A   5
ALA A   7
ASP A  27
PRO A  58
ARG A  60
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
None
None
 0.45A 5z6lA-4m2xA:
23.8		 5z6lA-4m2xA:
36.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PRO A  56
ARG A  58
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 ( 4.6A)
RAR  A 200 ( 3.2A)
 0.58A 5z6lA-4m7vA:
24.7		 5z6lA-4m7vA:
36.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
ASP A  27
LYS A  32
ILE A  50
PRO A  55
ARG A  57
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 3.9A)
MTX  A 201 (-4.7A)
XCN  A  54 ( 2.6A)
MTX  A 201 (-3.0A)
 0.37A 5z6lA-4p68A:
29.9		 5z6lA-4p68A:
98.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
MET A  20
ASP A  27
LYS A  32
PRO A  55
ARG A  57
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.6A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 3.9A)
XCN  A  54 ( 2.6A)
MTX  A 201 (-3.0A)
 0.72A 5z6lA-4p68A:
29.9		 5z6lA-4p68A:
98.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r12 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Dictyostelium
purpureum) 		PF05450
(Nicastrin) 		5 ALA A 599
ASP A 192
LYS A  57
ILE A 161
PRO A 158
 None
 1.50A 5z6lA-4r12A:
undetectable		 5z6lA-4r12A:
14.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y6o NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2

(Homo sapiens) 		PF02146
(SIR2) 		5 ILE A 169
ALA A 186
LEU A 183
ILE A  87
PRO A 145
 None
 1.37A 5z6lA-4y6oA:
undetectable		 5z6lA-4y6oA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zdv MICROTUBULE-ASSOCIAT
ED PROTEINS 1A/1B
LIGHT CHAIN 3A

(Homo sapiens) 		PF02991
(Atg8) 		5 ASP A  48
LEU A  47
ILE A  34
PRO A   6
ARG A  10
 None
 1.40A 5z6lA-4zdvA:
undetectable		 5z6lA-4zdvA:
20.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		5 ILE A   5
ALA A   7
ILE A  67
PRO A  72
ARG A  74
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
 0.61A 5z6lA-5dxvA:
17.0		 5z6lA-5dxvA:
67.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		5 ILE A   5
LEU A  45
ILE A  67
PRO A  72
ARG A  74
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
 0.84A 5z6lA-5dxvA:
17.0		 5z6lA-5dxvA:
67.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h3k SLR0280 PROTEIN

(Synechocystis
sp. PCC 6803) 		no annotation 5 ILE A 338
ALA A 546
ASP A 592
LEU A 591
ILE A 279
 None
 1.49A 5z6lA-5h3kA:
undetectable		 5z6lA-5h3kA:
14.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tpw GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2A

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 ILE B 127
ALA B 290
ASP B 294
ILE B  36
PRO B 123
 None
 1.41A 5z6lA-5tpwB:
2.7		 5z6lA-5tpwB:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vu2 E1 ENVELOPE
GLYCOPROTEIN

(Chikungunya
virus) 		no annotation 5 ILE M 142
ALA M 159
LEU M  29
PRO M  14
ARG M 134
 None
 1.45A 5z6lA-5vu2M:
undetectable		 5z6lA-5vu2M:
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.
5x9w DNA MISMATCH REPAIR
PROTEIN MUTS

(Neisseria
gonorrhoeae) 		no annotation 5 ILE A 341
ALA A 295
ASP A 547
LEU A 546
PRO A 392
 None
 1.08A 5z6lA-5x9wA:
undetectable		 5z6lA-5x9wA:
11.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cn0 16S RRNA
(GUANINE(1405)-N(7))
-METHYLTRANSFERASE

(Proteus
mirabilis) 		no annotation 5 ILE A 169
ALA A 138
ASP A 160
LYS A 185
ILE A 132
 None
 1.49A 5z6lA-6cn0A:
undetectable		 5z6lA-6cn0A:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ILE A   6
ALA A   8
ASP A  28
LYS A  33
PRO A  59
ARG A  61
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.6A)
MMV  A 202 (-2.8A)
 0.47A 5z6lA-6cxmA:
21.6		 5z6lA-6cxmA:
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.
6e4e -

(-) 		no annotation 6 ALA A   7
ASP A  27
LEU A  28
ILE A  50
PRO A  55
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.63A 5z6lA-6e4eA:
25.4		 5z6lA-6e4eA:
undetectable