SIMILAR PATTERNS OF AMINO ACIDS FOR 3CD2_A_MTXA307

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		6 ILE A   7
LEU A  22
GLU A  30
LEU A  67
ARG A  70
TYR A 121
 HBI  A 198 (-4.1A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-3.0A)
None
None
None
 0.50A 3cd2A-1dr6A:
25.0		 3cd2A-1dr6A:
39.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		6 ILE A   7
LEU A  22
PRO A  61
LEU A  67
ARG A  70
TYR A 121
 HBI  A 198 (-4.1A)
NAP  A 191 ( 4.7A)
None
None
None
None
 0.69A 3cd2A-1dr6A:
25.0		 3cd2A-1dr6A:
39.23
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.
1e69 CHROMOSOME
SEGREGATION SMC
PROTEIN

(Thermotoga
maritima) 		PF02463
(SMC_N) 		5 ILE A  41
LEU A   8
ILE A  20
LEU A   3
ILE A  44
 None
 0.97A 3cd2A-1e69A:
undetectable		 3cd2A-1e69A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hyg L-LACTATE/MALATE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ILE A 210
ILE A 174
SER A 152
LEU A 186
ILE A 207
 None
 0.96A 3cd2A-1hygA:
undetectable		 3cd2A-1hygA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oht CG14704 PROTEIN

(Drosophila
melanogaster) 		PF01510
(Amidase_2) 		5 LEU A 113
GLU A 168
ILE A 169
SER A 170
ILE A 134
 None
 1.09A 3cd2A-1ohtA:
undetectable		 3cd2A-1ohtA:
20.50
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.
1q0u BSTDEAD

(Geobacillus
stearothermophilus) 		PF00270
(DEAD) 		5 ILE A  30
SER A 188
PRO A 206
LEU A 185
ILE A  34
 None
 1.13A 3cd2A-1q0uA:
undetectable		 3cd2A-1q0uA:
22.75
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.
1tdj BIOSYNTHETIC
THREONINE DEAMINASE

(Escherichia
coli) 		PF00291
(PALP)
PF00585
(Thr_dehydrat_C) 		5 ILE A 379
LEU A 451
ILE A 460
SER A 461
ILE A 345
 None
 1.11A 3cd2A-1tdjA:
2.2		 3cd2A-1tdjA:
16.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tuf DIAMINOPIMELATE
DECARBOXYLASE

(Methanocaldococcus
jannaschii) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ILE A  77
ILE A 122
SER A 119
PHE A 145
ILE A 302
 None
 0.99A 3cd2A-1tufA:
undetectable		 3cd2A-1tufA:
18.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		6 ILE A   7
GLU A  30
PRO A  61
LEU A  67
ARG A  70
TYR A 121
 MTX  A 187 (-3.8A)
MTX  A 187 (-3.0A)
MTX  A 187 (-4.8A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
 0.37A 3cd2A-1u70A:
25.2		 3cd2A-1u70A:
36.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		6 ILE A   7
GLU A  30
PRO A  61
LEU A  67
ARG A  70
TYR A 121
 MXA  A 187 (-4.5A)
MXA  A 187 (-2.9A)
MXA  A 187 (-4.4A)
None
None
None
 0.35A 3cd2A-1u71A:
25.0		 3cd2A-1u71A:
36.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wck BCLA PROTEIN

(Bacillus
anthracis) 		PF01391
(Collagen) 		5 ILE A 208
ILE A 118
SER A 119
PRO A  84
ILE A 209
 None
 1.11A 3cd2A-1wckA:
undetectable		 3cd2A-1wckA:
20.09
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) 		6 ILE A   5
LEU A  20
LYS A  32
LEU A  54
ARG A  57
ILE A  96
 None
None
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.55A 3cd2A-1zdrA:
19.4		 3cd2A-1zdrA:
34.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
LEU A  45
PRO A 122
LEU A 128
ARG A 131
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
NDP  A1239 (-4.8A)
None
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
 0.65A 3cd2A-2blbA:
20.9		 3cd2A-2blbA:
28.63
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.
2e50 PROTEIN SET

(Homo sapiens) 		PF00956
(NAP) 		5 ILE A 212
LEU A 107
SER A  93
LEU A 204
ILE A 208
 None
 1.13A 3cd2A-2e50A:
undetectable		 3cd2A-2e50A:
20.63
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 PRO A  85
PHE A  88
LEU A  91
ARG A  94
ILE A 154
TYR A 160
 None
 0.56A 3cd2A-2h2qA:
21.4		 3cd2A-2h2qA:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i5h HYPOTHETICAL PROTEIN
AF1531

(Archaeoglobus
fulgidus) 		PF04919
(DUF655) 		5 ILE A 107
GLU A  16
LEU A 100
ILE A 104
TYR A 115
 None
 0.94A 3cd2A-2i5hA:
undetectable		 3cd2A-2i5hA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ksb SUBSTANCE-P RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		5 LEU A 161
ILE A 182
PHE A 264
LEU A 269
ILE A 198
 None
 1.14A 3cd2A-2ksbA:
undetectable		 3cd2A-2ksbA:
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.
2mdt PUTATIVE
UNCHARACTERIZED
PROTEIN

(Sulfolobus
solfataricus) 		no annotation 5 ILE A  40
LEU A  17
ILE A   5
SER A   6
ILE A  42
 None
 0.99A 3cd2A-2mdtA:
undetectable		 3cd2A-2mdtA:
20.67
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.
2qgo PUTATIVE FE-S
BIOSYNTHESIS PROTEIN

(Lactobacillus
acidophilus) 		PF01521
(Fe-S_biosyn) 		5 ILE A  74
ILE A  29
SER A  51
LEU A  84
ILE A  66
 None
 1.13A 3cd2A-2qgoA:
undetectable		 3cd2A-2qgoA:
20.19
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) 		5 GLU A  28
LYS A  33
LEU A  55
ARG A  58
TYR A 102
 MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
 0.54A 3cd2A-2qk8A:
20.4		 3cd2A-2qk8A:
30.85
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) 		5 LEU A  21
GLU A  28
LYS A  33
LEU A  55
ARG A  58
 MTX  A 200 ( 4.5A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
 0.85A 3cd2A-2qk8A:
20.4		 3cd2A-2qk8A:
30.85
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) 		6 LYS A  36
PRO A  55
LEU A  61
ARG A  64
ILE A 102
TYR A 108
 VG9  A1168 ( 4.9A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.2A)
None
 1.30A 3cd2A-2w3wA:
20.5		 3cd2A-2w3wA:
32.68
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) 		5 ILE A   5
LEU A  20
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 4.2A)
None
None
None
 0.53A 3cd2A-2w9sA:
19.6		 3cd2A-2w9sA:
34.52
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) 		5 ILE A   5
LEU A  20
LYS A  32
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 4.2A)
None
None
None
 0.76A 3cd2A-2w9sA:
19.6		 3cd2A-2w9sA:
34.52
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.
3c2g SYS-1 PROTEIN

(Caenorhabditis
elegans) 		no annotation 5 ILE A 388
LEU A 486
ILE A 456
SER A 453
ILE A 404
 None
 1.00A 3cd2A-3c2gA:
undetectable		 3cd2A-3c2gA:
16.18
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ILE A  14
LEU A  46
PRO A 113
PHE A 116
LEU A 119
ARG A 122
TYR A 170
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.8A)
None
None
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
 0.53A 3cd2A-3dg8A:
21.2		 3cd2A-3dg8A:
25.00
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.
3fk2 GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1

(Homo sapiens) 		PF00620
(RhoGAP) 		5 ILE A1265
LEU A1307
SER A1323
LYS A1322
ILE A1269
 None
 1.12A 3cd2A-3fk2A:
undetectable		 3cd2A-3fk2A:
23.23
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.
3fqd PROTEIN DIN1

(Schizosaccharomyces
pombe) 		PF08652
(RAI1) 		5 ILE B 184
ILE B  72
SER B  73
LYS B  76
ILE B 195
 None
 0.87A 3cd2A-3fqdB:
undetectable		 3cd2A-3fqdB:
18.18
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.
3h84 ATPASE GET3

(Saccharomyces
cerevisiae) 		PF02374
(ArsA_ATPase) 		5 ILE A 136
ILE A 212
PHE A 190
LEU A 186
ILE A 133
 None
 1.08A 3cd2A-3h84A:
3.4		 3cd2A-3h84A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hn7 UDP-N-ACETYLMURAMATE
-L-ALANINE LIGASE

(Psychrobacter
arcticus) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ILE A 465
LEU A 498
ILE A 479
PHE A 371
ILE A 490
 None
 1.17A 3cd2A-3hn7A:
3.9		 3cd2A-3hn7A:
17.50
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.
3hur ALANINE RACEMASE

(Oenococcus oeni) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ILE A 143
SER A 144
LYS A 147
LEU A 158
ILE A 106
 None
 1.09A 3cd2A-3hurA:
undetectable		 3cd2A-3hurA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hve GIGAXONIN

(Homo sapiens) 		PF00651
(BTB)
PF07707
(BACK) 		5 ILE A  95
LEU B  16
LYS A 118
PRO A  53
ILE A  86
 None
 1.11A 3cd2A-3hveA:
undetectable		 3cd2A-3hveA:
22.06
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
GLU A  28
LYS A  33
LEU A  55
ARG A  58
ILE A  96
TYR A 102
 MTX  A 164 (-4.0A)
MTX  A 164 (-2.9A)
MTX  A 164 (-3.2A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
MTX  A 164 ( 4.2A)
None
 0.49A 3cd2A-3ia4A:
19.9		 3cd2A-3ia4A:
30.62
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.
3igo CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 ILE A 179
ILE A 266
PHE A 161
LEU A 160
ILE A 178
 None
 1.09A 3cd2A-3igoA:
undetectable		 3cd2A-3igoA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		6 ILE A   8
LEU A  23
GLU A  30
LYS A  35
LEU A  58
ARG A  61
 MTX  A 200 (-4.1A)
NDP  A 193 ( 4.1A)
MTX  A 200 (-2.7A)
MTX  A 200 (-4.1A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
 0.61A 3cd2A-3ix9A:
20.3		 3cd2A-3ix9A:
25.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k9t PUTATIVE PEPTIDASE

(Clostridium
acetobutylicum) 		PF09940
(DUF2172)
PF16221
(HTH_47)
PF16254
(DUF4910) 		5 ILE A 349
ILE A 173
SER A 218
PRO A  49
ILE A 206
 None
None
None
MRD  A 441 ( 4.9A)
None
 1.01A 3cd2A-3k9tA:
undetectable		 3cd2A-3k9tA:
17.87
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.
3qcw NEUREXIN-1-ALPHA

(Bos taurus) 		PF00008
(EGF)
PF02210
(Laminin_G_2) 		5 ILE A 524
LEU A 620
ILE A 511
SER A 512
LEU A 559
 None
 1.06A 3cd2A-3qcwA:
undetectable		 3cd2A-3qcwA:
10.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r8e HYPOTHETICAL SUGAR
KINASE

(Cytophaga
hutchinsonii) 		PF00480
(ROK) 		5 ILE A   5
LEU A  79
SER A  43
LEU A  94
ILE A  63
 None
 1.16A 3cd2A-3r8eA:
undetectable		 3cd2A-3r8eA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 PRO A  91
LEU A  97
ARG A 100
ILE A 160
TYR A 166
 WRA  A 602 (-4.3A)
None
None
WRA  A 602 ( 3.9A)
None
 0.39A 3cd2A-3rg9A:
22.1		 3cd2A-3rg9A:
29.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tix CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Schizosaccharomyces
pombe) 		no annotation 5 ILE B 822
LEU B 907
SER B 856
LYS B 855
LEU B 877
 None
 1.16A 3cd2A-3tixB:
undetectable		 3cd2A-3tixB:
18.56
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) 		6 ILE A   6
LEU A  21
LYS A  33
LEU A  55
ARG A  58
ILE A  96
 MTX  A2001 (-4.0A)
MTX  A2001 (-4.4A)
None
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 ( 4.2A)
 0.53A 3cd2A-3tq9A:
19.9		 3cd2A-3tq9A:
32.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tyj BCLA PROTEIN

(Bacillus
anthracis) 		no annotation 5 ILE A 208
ILE A 118
SER A 119
PRO A  84
ILE A 209
 None
 1.07A 3cd2A-3tyjA:
undetectable		 3cd2A-3tyjA:
19.70
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A  14
LEU A  46
PRO A 113
PHE A 116
LEU A 119
ARG A 122
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
None
None
None
None
1CY  A 609 ( 4.0A)
None
 0.50A 3cd2A-3um6A:
21.3		 3cd2A-3um6A:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ILE A1010
GLU A 861
ILE A 860
LEU A1027
ILE A1009
 None
 1.09A 3cd2A-3va7A:
undetectable		 3cd2A-3va7A:
9.91
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) 		7 LYS A  33
PRO A  58
PHE A  61
LEU A  64
ARG A  67
ILE A 111
TYR A 117
 None
 0.93A 3cd2A-3vcoA:
22.4		 3cd2A-3vcoA:
34.23
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.
3vp7 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 30

(Saccharomyces
cerevisiae) 		PF04111
(APG6) 		5 LEU A 378
ILE A 392
SER A 439
LEU A 363
ILE A 447
 None
 1.16A 3cd2A-3vp7A:
undetectable		 3cd2A-3vp7A:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a5q CHI1

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		5 ILE A 279
ILE A 212
SER A 211
PHE A 241
ILE A 282
 None
 1.15A 3cd2A-4a5qA:
undetectable		 3cd2A-4a5qA:
17.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bxi ACCESSORY GENE
REGULATOR PROTEIN C

(Staphylococcus
aureus) 		PF14501
(HATPase_c_5) 		5 ILE A 293
SER A 320
LYS A 289
PRO A 316
ILE A 297
 None
 1.11A 3cd2A-4bxiA:
undetectable		 3cd2A-4bxiA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dws CHI2

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		5 ILE A 238
LEU A 372
ILE A 346
PRO A 351
ILE A 203
 None
None
None
MLZ  A 405 ( 4.9A)
None
 1.16A 3cd2A-4dwsA:
undetectable		 3cd2A-4dwsA:
16.67
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.
4eco UNCHARACTERIZED
PROTEIN

(Bacteroides
eggerthii) 		no annotation 5 ILE A 786
ILE A 730
SER A 729
PRO A 717
LEU A 745
 None
 1.13A 3cd2A-4ecoA:
undetectable		 3cd2A-4ecoA:
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.
4epp POLY(ADP-RIBOSE)
GLYCOHYDROLASE

(Tetrahymena
thermophila) 		PF05028
(PARG_cat) 		5 ILE A 196
ILE A 324
SER A 348
LEU A 234
ILE A 283
 None
 1.04A 3cd2A-4eppA:
undetectable		 3cd2A-4eppA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fo9 E3 SUMO-PROTEIN
LIGASE PIAS2

(Homo sapiens) 		PF02891
(zf-MIZ)
PF14324
(PINIT) 		5 ILE A 263
ILE A 279
SER A 278
PRO A 227
LEU A 241
 None
 1.12A 3cd2A-4fo9A:
undetectable		 3cd2A-4fo9A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fp9 MTERF
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF02536
(mTERF) 		5 ILE B 194
LEU B 154
SER B 164
LEU B 176
ILE B 186
 None
 1.14A 3cd2A-4fp9B:
undetectable		 3cd2A-4fp9B:
20.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		9 ILE X  10
LEU X  25
GLU X  32
ILE X  33
PRO X  66
LEU X  72
ARG X  75
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.4A)
TOP  X 301 (-4.8A)
None
None
TOP  X 301 ( 4.0A)
None
 0.62A 3cd2A-4g8zX:
34.1		 3cd2A-4g8zX:
95.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		9 ILE X  10
LEU X  25
GLU X  32
ILE X  33
SER X  34
LEU X  72
ARG X  75
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.4A)
None
None
None
TOP  X 301 ( 4.0A)
None
 0.66A 3cd2A-4g8zX:
34.1		 3cd2A-4g8zX:
95.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h44 APOCYTOCHROME F

(Nostoc sp. PCC
7120) 		PF01333
(Apocytochr_F_C)
PF16639
(Apocytochr_F_N) 		5 ILE C 180
SER C 173
PRO C 212
LEU C 217
ILE C 183
 None
 1.15A 3cd2A-4h44C:
undetectable		 3cd2A-4h44C:
21.48
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) 		8 ILE A   9
GLU A  32
ILE A  33
LYS A  37
LEU A  69
ARG A  72
ILE A 112
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 (-2.8A)
14Q  A 202 ( 4.0A)
None
None
None
14Q  A 202 ( 4.2A)
None
 0.84A 3cd2A-4h96A:
24.3		 3cd2A-4h96A:
38.50
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) 		7 ILE A   9
LYS A  37
PRO A  63
LEU A  69
ARG A  72
ILE A 112
TYR A 118
 14Q  A 202 (-4.3A)
None
None
None
None
14Q  A 202 ( 4.2A)
None
 0.83A 3cd2A-4h96A:
24.3		 3cd2A-4h96A:
38.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		9 ILE A   9
LEU A  25
GLU A  32
PRO A  63
PHE A  66
LEU A  69
ARG A  72
ILE A 121
TYR A 127
 14Q  A 302 (-4.1A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.8A)
14Q  A 302 (-4.4A)
14Q  A 302 (-3.7A)
None
None
14Q  A 302 ( 4.0A)
None
 0.53A 3cd2A-4h98A:
22.5		 3cd2A-4h98A:
35.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ilr CRISPR-ASSOCIATED
ENDORIBONUCLEASE
CAS6 2

(Sulfolobus
solfataricus) 		PF10040
(CRISPR_Cas6) 		5 ILE A  53
ILE A  37
SER A  39
LYS A  41
ILE A  55
 None
 1.10A 3cd2A-4ilrA:
undetectable		 3cd2A-4ilrA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l60 PROLIFERATING CELL
NUCLEAR ANTIGEN

(Saccharomyces
cerevisiae) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 ILE A  99
LEU A  50
ILE A  16
SER A  76
LEU A  88
 None
 1.17A 3cd2A-4l60A:
undetectable		 3cd2A-4l60A:
23.42
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		6 ILE A   5
PRO A  51
LEU A  57
ARG A  60
ILE A  94
TYR A 100
 TMQ  A 202 (-4.0A)
TMQ  A 202 (-4.2A)
None
None
TMQ  A 202 ( 3.8A)
None
 0.38A 3cd2A-4m2xA:
19.2		 3cd2A-4m2xA:
29.27
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.
4nzr PROTEIN M TD

(Mycoplasma
genitalium) 		no annotation 5 LEU M 271
ILE M 251
SER M 252
LYS M 255
LEU M 283
 None
 1.18A 3cd2A-4nzrM:
undetectable		 3cd2A-4nzrM:
18.57
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.
4on1 PUTATIVE
METALLOPROTEASE II

(Bacteroides
fragilis) 		PF00413
(Peptidase_M10)
PF16376
(fragilysinNterm) 		5 LEU A  92
PHE A 222
LEU A 224
ILE A 237
TYR A 109
 None
 1.13A 3cd2A-4on1A:
undetectable		 3cd2A-4on1A:
19.89
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) 		5 ILE A   5
LYS A  32
ARG A  57
ILE A  94
TYR A 100
 MTX  A 201 (-4.1A)
MTX  A 201 ( 3.9A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.3A)
None
 0.36A 3cd2A-4p68A:
20.0		 3cd2A-4p68A:
30.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q6p CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF17033
(Peptidase_M99)
PF17129
(Peptidase_M99_C)
PF17130
(Peptidase_M99_m) 		5 LEU A 286
SER A 335
PHE A 323
LEU A 315
ILE A 275
 None
 0.97A 3cd2A-4q6pA:
undetectable		 3cd2A-4q6pA:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 LEU A4180
ILE A4217
SER A4218
PHE A4249
ILE A4284
 None
 1.08A 3cd2A-4rh7A:
undetectable		 3cd2A-4rh7A:
4.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rv7 DIADENYLATE CYCLASE

(Listeria
monocytogenes) 		PF02457
(DisA_N) 		5 ILE A  32
ILE A 128
SER A 129
LEU A 149
ILE A  16
 None
 1.18A 3cd2A-4rv7A:
undetectable		 3cd2A-4rv7A:
27.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tyh MITOGEN-ACTIVATED
PROTEIN KINASE 14

(Mus musculus) 		PF00069
(Pkinase) 		5 ILE B 131
LEU B 289
ILE B 206
LEU B 151
ILE B 212
 None
 1.16A 3cd2A-4tyhB:
undetectable		 3cd2A-4tyhB:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wvw GALECTIN

(Gallus gallus) 		PF00337
(Gal-bind_lectin) 		5 ILE A  16
ILE A  11
SER A  12
LEU A  34
ILE A 139
 None
 0.95A 3cd2A-4wvwA:
undetectable		 3cd2A-4wvwA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xmm NUCLEOPORIN NUP145

(Saccharomyces
cerevisiae) 		PF12110
(Nup96) 		5 ILE B 292
LEU B 361
ILE B 323
SER B 308
ILE B 355
 None
 1.09A 3cd2A-4xmmB:
undetectable		 3cd2A-4xmmB:
15.60
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.
4xp8 ETGA PROTEIN

(Escherichia
coli) 		PF01464
(SLT) 		5 ILE A  66
ILE A  79
SER A  80
LEU A  73
ILE A  98
 None
 1.18A 3cd2A-4xp8A:
undetectable		 3cd2A-4xp8A:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ysj CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE

(Eimeria tenella) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 ILE A 132
ILE A 219
PHE A 114
LEU A 113
ILE A 131
 None
 1.05A 3cd2A-4ysjA:
undetectable		 3cd2A-4ysjA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ze8 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(AGROCINOPINES A AND
B)

(Agrobacterium
fabrum) 		PF00496
(SBP_bac_5) 		5 GLU A 172
ILE A 171
SER A 168
PRO A 152
ILE A  95
 None
 1.12A 3cd2A-4ze8A:
undetectable		 3cd2A-4ze8A:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zu9 ELONGATION FACTOR
SELB

(Aquifex
aeolicus) 		PF00009
(GTP_EFTU)
PF09107
(SelB-wing_3) 		5 ILE A 134
LEU A 100
ILE A  92
LEU A 115
ILE A 146
 None
 1.15A 3cd2A-4zu9A:
undetectable		 3cd2A-4zu9A:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bwd BENZYLSUCCINATE
SYNTHASE ALPHA CHAIN

(Thauera
aromatica) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ILE A 200
GLU A 324
ILE A 319
PRO A 299
PHE A 315
 None
 1.18A 3cd2A-5bwdA:
undetectable		 3cd2A-5bwdA:
12.76
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.
5dbx STE20/SPS1-RELATED
PROLINE-ALANINE-RICH
PROTEIN KINASE

(Mus musculus) 		PF00069
(Pkinase) 		5 ILE A 210
GLU A 277
ILE A 162
LEU A 362
ILE A 184
 None
 1.09A 3cd2A-5dbxA:
undetectable		 3cd2A-5dbxA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		5 ILE A   5
LEU A  71
ARG A  74
ILE A 111
TYR A 117
 None
 0.35A 3cd2A-5dxvA:
12.3		 3cd2A-5dxvA:
24.41
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.
5fg0 E3 UBIQUITIN-PROTEIN
LIGASE LISTERIN

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A 113
LEU A  47
SER A  92
LEU A 121
ILE A  73
 None
 1.09A 3cd2A-5fg0A:
undetectable		 3cd2A-5fg0A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gqr LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE TDR

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 ILE B 289
LEU B 323
PHE B 351
LEU B 352
ILE B 313
 None
 1.12A 3cd2A-5gqrB:
undetectable		 3cd2A-5gqrB:
17.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gqr LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE TDR

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 ILE B 289
SER B 305
PHE B 351
LEU B 352
ILE B 313
 None
 1.11A 3cd2A-5gqrB:
undetectable		 3cd2A-5gqrB:
17.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gr8 LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE PEPR1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 ILE A 115
LEU A 149
SER A 131
LEU A 178
ILE A 139
 None
 1.11A 3cd2A-5gr8A:
undetectable		 3cd2A-5gr8A:
14.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gr8 LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE PEPR1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 ILE A 307
LEU A 341
SER A 323
LEU A 370
ILE A 331
 None
 1.17A 3cd2A-5gr8A:
undetectable		 3cd2A-5gr8A:
14.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gr8 LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE PEPR1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 ILE A 307
LEU A 362
LYS A 345
LEU A 370
ILE A 331
 None
 1.14A 3cd2A-5gr8A:
undetectable		 3cd2A-5gr8A:
14.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h04 BINARY ENTEROTOXIN
OF CLOSTRIDIUM
PERFRINGENS
COMPONENT A

(Clostridium
perfringens) 		PF03496
(ADPrib_exo_Tox) 		5 ILE A 116
ILE A 154
LYS A 203
LEU A 191
ILE A 121
 None
 1.10A 3cd2A-5h04A:
undetectable		 3cd2A-5h04A:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h53 SKELETAL MUSCLE
MYOSIN HEAVY CHAIN
MYHC-EO/IIL

(Oryctolagus
cuniculus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 LEU A 228
ILE A 351
LYS A 353
LEU A 299
ILE A 291
 None
 1.01A 3cd2A-5h53A:
undetectable		 3cd2A-5h53A:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hu3 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II ALPHA
CHAIN
POTASSIUM
VOLTAGE-GATED
CHANNEL PROTEIN EAG

(Drosophila
melanogaster) 		PF00069
(Pkinase)
no annotation 		5 ILE B 788
SER A 182
PRO A 213
PHE A 214
LEU A 222
 TPO  B 787 ( 3.8A)
None
None
None
None
 1.16A 3cd2A-5hu3B:
undetectable		 3cd2A-5hu3B:
14.97
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ILE A1010
GLU A 861
ILE A 860
LEU A1027
ILE A1009
 None
 1.07A 3cd2A-5i8iA:
undetectable		 3cd2A-5i8iA:
7.68
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.
5j8j HISTONE DEACETYLASE
HDA1

(Saccharomyces
cerevisiae) 		PF09757
(Arb2) 		5 ILE A 590
ILE A 496
SER A 497
LEU A 576
ILE A 504
 None
 1.04A 3cd2A-5j8jA:
undetectable		 3cd2A-5j8jA:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lj6 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Aggregatibacter
actinomycetemcomitans) 		no annotation 5 ILE A  38
ILE A   6
SER A  27
ARG A 211
ILE A 197
 None
 1.12A 3cd2A-5lj6A:
undetectable		 3cd2A-5lj6A:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ltq GREEN FLUORESCENT
PROTEIN BLFP-Y3

(Branchiostoma
lanceolatum) 		PF01353
(GFP) 		5 ILE A  57
LEU A  98
SER A  49
ILE A  11
TYR A 102
 CR2  A  59 ( 4.2A)
None
None
None
None
 1.18A 3cd2A-5ltqA:
undetectable		 3cd2A-5ltqA:
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.
5nil MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Escherichia
coli) 		PF00005
(ABC_tran)
PF02687
(FtsX)
PF12704
(MacB_PCD) 		5 ILE J 214
ILE J  27
SER J  28
LEU J  54
ILE J  39
 None
 1.17A 3cd2A-5nilJ:
undetectable		 3cd2A-5nilJ:
18.01
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 LEU A  23
PRO A  88
PHE A  91
LEU A  94
ARG A  97
TYR A 157
 None
73X  A 704 (-4.0A)
73X  A 704 ( 4.2A)
None
None
None
 0.64A 3cd2A-5t0lA:
23.2		 3cd2A-5t0lA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u2l HEAT SHOCK PROTEIN
104

(Candida
albicans) 		PF02861
(Clp_N) 		5 ILE A  66
LEU A  49
ILE A  37
LEU A  30
ILE A 127
 None
 1.17A 3cd2A-5u2lA:
undetectable		 3cd2A-5u2lA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 5 ILE A  93
ILE A 197
SER A 137
LEU A 351
ILE A  92
 None
 1.05A 3cd2A-5z9sA:
undetectable		 3cd2A-5z9sA:
18.58
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.
6az1 RIBOSOMAL PROTEIN
S17

(Leishmania
donovani) 		no annotation 5 ILE U  17
PRO U  74
PHE U  75
ARG U  48
ILE U  69
 None
 1.06A 3cd2A-6az1U:
undetectable		 3cd2A-6az1U:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ILE A   6
LYS A  33
PRO A  52
LEU A  58
ARG A  61
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
MMV  A 202 ( 4.6A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
 0.49A 3cd2A-6cxmA:
18.8		 3cd2A-6cxmA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d85 PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT ALPHA

(Bos taurus) 		no annotation 5 ILE B 220
LEU B 240
PRO B 199
LEU B 206
ILE B 289
 None
 1.16A 3cd2A-6d85B:
undetectable		 3cd2A-6d85B:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6emk TARGET OF RAPAMYCIN
COMPLEX SUBUNIT LST8

(Saccharomyces
cerevisiae) 		no annotation 6 ILE B 140
GLU B 121
SER B 166
LYS B 173
PRO B 126
ILE B 142
 None
 1.24A 3cd2A-6emkB:
undetectable		 3cd2A-6emkB:
16.67
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5

(Mus musculus) 		no annotation 6 ILE L 298
LEU L 350
ILE L 362
SER L 370
PRO L 435
ILE L 356
 None
 1.30A 3cd2A-6g2jL:
undetectable		 3cd2A-6g2jL:
18.14