SIMILAR PATTERNS OF AMINO ACIDS FOR 2CD2_A_FOLA307_0

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.
1an7 RIBOSOMAL PROTEIN S8

(Thermus
thermophilus) 		PF00410
(Ribosomal_S8) 		5 ILE A  83
ILE A   6
THR A  24
LEU A  36
ILE A  13
 None
 0.99A 2cd2A-1an7A:
undetectable		 2cd2A-1an7A:
19.21
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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		6 ALA A   8
THR A  47
LEU A  55
ARG A  58
ILE A 100
THR A 121
 None
SO4  A 200 (-3.7A)
None
None
None
None
 0.46A 2cd2A-1cz3A:
16.9		 2cd2A-1cz3A:
28.51
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) 		8 ILE A   7
ALA A   9
LEU A  22
THR A  56
LEU A  67
ARG A  70
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
NAP  A 191 (-3.5A)
None
None
None
HBI  A 198 ( 4.5A)
 0.47A 2cd2A-1dr6A:
25.4		 2cd2A-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) 		8 ILE A   7
ALA A   9
THR A  56
PRO A  61
LEU A  67
ARG A  70
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 (-3.5A)
None
None
None
None
HBI  A 198 ( 4.5A)
 0.54A 2cd2A-1dr6A:
25.4		 2cd2A-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.
1e0r THERMOSOME

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		6 ILE B 308
LEU B 274
ILE B 295
PRO B 243
LEU B 240
ILE B 281
 None
 1.36A 2cd2A-1e0rB:
undetectable		 2cd2A-1e0rB:
23.61
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.
1fa7 GLYOXALASE I

(Escherichia
coli) 		PF00903
(Glyoxalase) 		5 ILE A 121
LEU A  57
THR A   6
ILE A  75
TYR A  72
 None
 1.05A 2cd2A-1fa7A:
undetectable		 2cd2A-1fa7A:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gyu ADAPTER-RELATED
PROTEIN COMPLEX 1
GAMMA 1 SUBUNIT

(Mus musculus) 		PF02883
(Alpha_adaptinC2) 		5 ILE A 735
ALA A 709
PRO A 755
PHE A 758
LEU A 760
 None
 0.95A 2cd2A-1gyuA:
undetectable		 2cd2A-1gyuA:
21.56
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.
1gyv ADAPTER-RELATED
PROTEIN COMPLEX 1
GAMMA 1 SUBUNIT

(Mus musculus) 		PF02883
(Alpha_adaptinC2) 		5 ILE A 735
ALA A 709
PRO A 755
PHE A 758
LEU A 760
 None
 1.01A 2cd2A-1gyvA:
undetectable		 2cd2A-1gyvA:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iu1 GAMMA1-ADAPTIN

(Homo sapiens) 		PF02883
(Alpha_adaptinC2) 		5 ILE A 735
ALA A 709
PRO A 755
PHE A 758
LEU A 760
 None
 1.03A 2cd2A-1iu1A:
undetectable		 2cd2A-1iu1A:
20.47
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) 		8 ILE A   7
ALA A   9
THR A  56
PRO A  61
LEU A  67
ARG A  70
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
NDP  A 188 (-3.9A)
MTX  A 187 (-4.8A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
MTX  A 187 (-4.4A)
 0.35A 2cd2A-1u70A:
25.3		 2cd2A-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) 		8 ILE A   7
ALA A   9
THR A  56
PRO A  61
LEU A  67
ARG A  70
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
SO4  A 188 (-3.5A)
MXA  A 187 (-4.4A)
None
None
None
MXA  A 187 (-4.3A)
 0.36A 2cd2A-1u71A:
25.4		 2cd2A-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.
1yf2 TYPE I
RESTRICTION-MODIFICA
TION ENZYME, S
SUBUNIT

(Methanocaldococcus
jannaschii) 		PF01420
(Methylase_S) 		5 ALA A 135
LEU A 417
PRO A 166
LEU A 125
TYR A 141
 None
 1.03A 2cd2A-1yf2A:
undetectable		 2cd2A-1yf2A:
17.52
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
LEU A  20
THR A  46
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
None
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.62A 2cd2A-1zdrA:
19.6		 2cd2A-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) 		9 ILE A  13
ALA A  15
LEU A  45
PRO A 122
LEU A 128
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
None
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.66A 2cd2A-2blbA:
21.3		 2cd2A-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.
2g5d GNA33

(Neisseria
gonorrhoeae) 		PF03562
(MltA)
PF06725
(3D) 		5 ILE A 246
ALA A 244
ILE A 235
LEU A 256
ILE A 159
 None
 1.03A 2cd2A-2g5dA:
undetectable		 2cd2A-2g5dA:
19.95
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.
2gsz TWITCHING MOTILITY
PROTEIN PILT

(Aquifex
aeolicus) 		PF00437
(T2SSE) 		6 ALA A 246
ILE A 277
THR A 333
PRO A 125
LEU A 291
THR A 249
 None
 1.36A 2cd2A-2gszA:
undetectable		 2cd2A-2gszA:
19.78
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 ALA A  28
THR A  80
PRO A  85
PHE A  88
LEU A  91
ARG A  94
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
NAP  A 523 (-3.5A)
None
None
None
None
None
None
None
 0.55A 2cd2A-2h2qA:
21.6		 2cd2A-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.
2id5 LEUCINE RICH REPEAT
NEURONAL 6A

(Homo sapiens) 		PF07679
(I-set)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 ILE A 167
LEU A 221
THR A 217
PRO A 240
LEU A 213
 None
 1.03A 2cd2A-2id5A:
undetectable		 2cd2A-2id5A:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 LEU A 463
ILE A 315
THR A 329
LEU A 382
ARG A 322
 None
 0.96A 2cd2A-2ivfA:
undetectable		 2cd2A-2ivfA:
11.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o2c GLUCOSE-6-PHOSPHATE
ISOMERASE,
GLYCOSOMAL

(Trypanosoma
brucei) 		PF00342
(PGI) 		5 ALA A 538
LEU A  99
ILE A 460
LEU A 405
ILE A 543
 None
 0.88A 2cd2A-2o2cA:
undetectable		 2cd2A-2o2cA:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  25
THR A  58
LEU A  67
ARG A  70
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
MTX  A 605 ( 4.2A)
 0.66A 2cd2A-2oipA:
21.9		 2cd2A-2oipA:
17.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p0w HISTONE
ACETYLTRANSFERASE
TYPE B CATALYTIC
SUBUNIT

(Homo sapiens) 		PF10394
(Hat1_N) 		5 ILE A 114
LEU A  35
ILE A  33
THR A  85
ILE A 115
 None
 0.96A 2cd2A-2p0wA:
undetectable		 2cd2A-2p0wA:
17.18
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.
2p4g HYPOTHETICAL PROTEIN

(Corynebacterium
diphtheriae) 		PF01872
(RibD_C) 		5 ILE A  38
THR A  81
ARG A  69
TYR A 199
THR A 214
 EDO  A 278 (-4.7A)
EDO  A 284 ( 3.5A)
EDO  A 275 (-2.8A)
EDO  A 280 (-4.3A)
None
 1.05A 2cd2A-2p4gA:
13.8		 2cd2A-2p4gA:
21.35
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  21
LEU A  55
ARG A  58
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
MTX  A 200 ( 4.4A)
 0.54A 2cd2A-2qk8A:
20.9		 2cd2A-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) 		8 ALA A  11
THR A  50
PRO A  55
LEU A  61
ARG A  64
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.51A 2cd2A-2w3wA:
21.0		 2cd2A-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) 		8 ILE A   5
ALA A   7
LEU A  20
THR A  46
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
NDP  A1159 (-3.3A)
None
None
None
TOP  A1160 ( 4.5A)
 0.60A 2cd2A-2w9sA:
19.8		 2cd2A-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.
3byw PUTATIVE
ARABINOFURANOSYLTRAN
SFERASE

(Corynebacterium
diphtheriae) 		PF04602
(Arabinose_trans) 		5 ILE A 137
ALA A 188
LEU A 186
LEU A 109
ILE A 135
 None
 1.00A 2cd2A-3bywA:
undetectable		 2cd2A-3bywA:
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
LEU A  19
THR A  45
LEU A  54
ARG A  57
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.69A 2cd2A-3dfrA:
20.5		 2cd2A-3dfrA:
27.27
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
LEU A  19
THR A  45
PRO A  50
LEU A  54
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.6A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.3A)
 0.88A 2cd2A-3dfrA:
20.5		 2cd2A-3dfrA:
27.27
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		9 ILE A  14
ALA A  16
LEU A  46
PRO A 113
PHE A 116
LEU A 119
ARG A 122
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
None
None
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.56A 2cd2A-3dg8A:
21.6		 2cd2A-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.
3emq ENDO-1,4-BETA-XYLANA
SE

(Paenibacillus
barcinonensis) 		PF00331
(Glyco_hydro_10) 		5 ILE A 227
LEU A 242
ILE A 274
ILE A 285
THR A 182
 None
 1.05A 2cd2A-3emqA:
undetectable		 2cd2A-3emqA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gio PUTATIVE
UNCHARACTERIZED
PROTEIN

(Helicobacter
pylori) 		PF16753
(Tipalpha) 		5 LEU A  90
ILE A 176
THR A 114
PHE A 147
LEU A 121
 None
 1.05A 2cd2A-3gioA:
undetectable		 2cd2A-3gioA:
21.82
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
LEU X  20
THR X  46
LEU X  54
ARG X  57
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
NDP  X 207 (-3.2A)
None
None
None
N22  X 219 (-4.4A)
 0.71A 2cd2A-3i8aX:
19.6		 2cd2A-3i8aX:
31.75
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) 		8 ILE A   6
ALA A   8
THR A  47
LEU A  55
ARG A  58
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.41A 2cd2A-3ia4A:
20.3		 2cd2A-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.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		7 ILE A   8
ALA A  10
LEU A  23
THR A  49
LEU A  58
ARG A  61
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
MTX  A 200 ( 4.5A)
 0.87A 2cd2A-3ix9A:
20.5		 2cd2A-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.
3jd5 28S RIBOSOMAL
PROTEIN S2,
MITOCHONDRIAL

(Bos taurus) 		PF00318
(Ribosomal_S2) 		5 ILE B 131
ALA B 122
LEU B 118
LEU B 185
ILE B 183
 None
 1.06A 2cd2A-3jd5B:
undetectable		 2cd2A-3jd5B:
18.73
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
THR A  69
LEU A  80
ARG A  83
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
NAP  A 512 (-3.6A)
None
None
None
None
 0.42A 2cd2A-3kjrA:
22.8		 2cd2A-3kjrA:
19.27
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 THR A  69
PRO A  74
LEU A  80
ARG A  83
TYR A 129
 NAP  A 512 (-3.6A)
None
None
None
None
 0.85A 2cd2A-3kjrA:
22.8		 2cd2A-3kjrA:
19.27
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.
3l6y CATENIN DELTA-1

(Homo sapiens) 		PF00514
(Arm) 		5 ILE A 503
LEU A 494
THR A 530
LEU A 558
ILE A 502
 None
 1.01A 2cd2A-3l6yA:
undetectable		 2cd2A-3l6yA:
16.15
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.
3n3k UBIQUITIN

(Homo sapiens) 		PF00240
(ubiquitin) 		5 ILE B   3
THR B   7
PHE B  45
LEU B  43
ILE B  30
 None
 1.02A 2cd2A-3n3kB:
undetectable		 2cd2A-3n3kB:
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.
3ogj PRKG1 PROTEIN

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 146
ALA A 194
LEU A 204
ILE A 145
THR A 193
 CMP  A 250 ( 4.2A)
CMP  A 250 (-3.6A)
None
None
CMP  A 250 (-2.9A)
 0.98A 2cd2A-3ogjA:
undetectable		 2cd2A-3ogjA:
20.00
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.
3q3f RIBONUCLEASE/UBIQUIT
IN CHIMERIC PROTEIN

(Bacillus
amyloliquefaciens;
Homo sapiens) 		PF00240
(ubiquitin)
PF00545
(Ribonuclease) 		5 ILE A 107
THR A 111
PHE A 149
LEU A 147
ILE A 134
 None
None
SO4  A 203 (-4.5A)
None
None
 1.00A 2cd2A-3q3fA:
undetectable		 2cd2A-3q3fA:
23.32
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.
3qll CITRATE LYASE

(Yersinia pestis) 		PF03328
(HpcH_HpaI) 		5 ILE A 225
ALA A 223
ILE A 220
THR A 206
ILE A 228
 None
 1.06A 2cd2A-3qllA:
undetectable		 2cd2A-3qllA:
21.56
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		8 ALA A  34
THR A  86
PRO A  91
LEU A  97
ARG A 100
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
WRA  A 602 (-4.3A)
None
None
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.39A 2cd2A-3rg9A:
22.6		 2cd2A-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.
3slg PBGP3 PROTEIN

(Burkholderia
pseudomallei) 		PF01370
(Epimerase) 		5 ILE A 206
ALA A 343
LEU A 185
ILE A 332
LEU A 264
 None
 0.92A 2cd2A-3slgA:
undetectable		 2cd2A-3slgA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3svl PROTEIN YIEF

(Escherichia
coli) 		PF03358
(FMN_red) 		5 ILE A 113
LEU A 137
ILE A 133
LEU A  91
ILE A  78
 None
 0.99A 2cd2A-3svlA:
undetectable		 2cd2A-3svlA:
23.67
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
LEU A  21
THR A  47
LEU A  55
ARG A  58
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
NDP  A1001 (-3.1A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.47A 2cd2A-3tq9A:
20.4		 2cd2A-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.
3ug7 ARSENICAL
PUMP-DRIVING ATPASE

(Methanocaldococcus
jannaschii) 		PF02374
(ArsA_ATPase) 		5 ILE A 156
ALA A  45
LEU A 332
THR A  16
ILE A  29
 None
 1.03A 2cd2A-3ug7A:
2.5		 2cd2A-3ug7A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 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) 		10 ILE A  14
LEU A  46
THR A 108
PRO A 113
PHE A 116
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
NDP  A 610 ( 3.4A)
None
None
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.69A 2cd2A-3um6A:
21.4		 2cd2A-3um6A:
16.83
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) 		8 ALA A   8
THR A  53
PRO A  58
LEU A  64
ARG A  67
ILE A 111
TYR A 117
THR A 133
 None
SO4  A 201 (-3.7A)
None
None
None
None
None
None
 0.65A 2cd2A-3vcoA:
22.3		 2cd2A-3vcoA:
34.23
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) 		8 ALA A   8
THR A  53
PRO A  58
PHE A  61
LEU A  64
ARG A  67
ILE A 111
TYR A 117
 None
SO4  A 201 (-3.7A)
None
None
None
None
None
None
 0.74A 2cd2A-3vcoA:
22.3		 2cd2A-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.
3vdz UBIQUITIN-40S
RIBOSOMAL PROTEIN
S27A

(Homo sapiens;
synthetic
construct) 		PF00240
(ubiquitin) 		5 ILE A 103
THR A 107
PHE A 145
LEU A 143
ILE A 130
 None
 0.96A 2cd2A-3vdzA:
undetectable		 2cd2A-3vdzA:
17.14
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.
4a2w RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		5 ILE A 122
ALA A 120
ILE A 150
LEU A 157
ILE A 125
 None
 1.03A 2cd2A-4a2wA:
undetectable		 2cd2A-4a2wA:
13.11
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.
4d7s STHK_CNBD_CGMP

(Spirochaeta
thermophila) 		PF00027
(cNMP_binding) 		5 ILE A 329
ALA A 379
LEU A 389
ILE A 328
THR A 378
 PCG  A1423 (-4.2A)
PCG  A1423 (-3.9A)
None
None
PCG  A1423 (-3.0A)
 0.99A 2cd2A-4d7sA:
undetectable		 2cd2A-4d7sA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ffc 4-AMINOBUTYRATE
AMINOTRANSFERASE
(GABT)

(Mycobacteroides
abscessus) 		PF00202
(Aminotran_3) 		5 LEU A 167
ILE A 138
LEU A 222
ILE A 225
THR A 287
 None
 0.97A 2cd2A-4ffcA:
undetectable		 2cd2A-4ffcA:
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.
4fkm SIMILAR TO FERRIC
HYDROXAMATE RECEPTOR
1

(Staphylococcus
aureus) 		PF01497
(Peripla_BP_2) 		5 ALA A 264
THR A 256
PRO A 251
LEU A 190
ILE A 233
 MLY  A 263 ( 3.6A)
None
None
MLY  A 189 ( 4.5A)
MLY  A 229 ( 4.7A)
 1.03A 2cd2A-4fkmA:
undetectable		 2cd2A-4fkmA:
22.18
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) 		11 ILE X  10
ALA X  12
LEU X  25
ILE X  33
THR X  61
PRO X  66
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 ( 4.4A)
NDP  X 302 (-3.4A)
TOP  X 301 (-4.8A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.55A 2cd2A-4g8zX:
34.9		 2cd2A-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.
4gsw UBIQUITIN

(Entamoeba
histolytica) 		PF00240
(ubiquitin) 		5 ILE A   6
THR A  10
PHE A  48
LEU A  46
ILE A  33
 None
 0.95A 2cd2A-4gswA:
undetectable		 2cd2A-4gswA:
18.78
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) 		9 ILE A   9
ALA A  11
ILE A  33
THR A  58
LEU A  69
ARG A  72
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 ( 4.0A)
NDP  A 201 (-3.7A)
None
None
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.65A 2cd2A-4h96A:
23.9		 2cd2A-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) 		8 ILE A   9
ALA A  11
THR A  58
PRO A  63
LEU A  69
ARG A  72
ILE A 112
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
NDP  A 201 (-3.7A)
None
None
None
14Q  A 202 ( 4.2A)
None
 0.66A 2cd2A-4h96A:
23.9		 2cd2A-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) 		6 THR A  58
PRO A  63
PHE A  66
LEU A  69
ARG A  72
ILE A 112
 NDP  A 201 (-3.7A)
None
None
None
None
14Q  A 202 ( 4.2A)
 0.92A 2cd2A-4h96A:
23.9		 2cd2A-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) 		10 ILE A   9
ALA A  11
LEU A  25
THR A  58
PRO A  63
LEU A  69
ARG A  72
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.4A)
None
None
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.50A 2cd2A-4h98A:
22.5		 2cd2A-4h98A:
35.37
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) 		10 ILE A   9
ALA A  11
THR A  58
PRO A  63
PHE A  66
LEU A  69
ARG A  72
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.4A)
14Q  A 302 (-3.7A)
None
None
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.59A 2cd2A-4h98A:
22.5		 2cd2A-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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		9 ILE A   5
ALA A   7
THR A  46
PRO A  51
LEU A  57
ARG A  60
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
NDP  A 201 (-3.4A)
TMQ  A 202 (-4.2A)
None
None
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.41A 2cd2A-4m2xA:
19.8		 2cd2A-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.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ALA A   7
LEU A  20
THR A  46
LEU A  40
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
NAP  A 201 (-3.0A)
None
RAR  A 200 (-4.4A)
 0.99A 2cd2A-4m7vA:
19.0		 2cd2A-4m7vA:
29.67
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.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
LEU A  20
LEU A  55
ARG A  58
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.77A 2cd2A-4m7vA:
19.0		 2cd2A-4m7vA:
29.67
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.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
LEU A  20
THR A  46
ARG A  58
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
NAP  A 201 (-3.0A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.75A 2cd2A-4m7vA:
19.0		 2cd2A-4m7vA:
29.67
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.
4p2b GLUTAMINE
AMINOACYL-TRNA
SYNTHETASE

(Toxoplasma
gondii) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		5 ILE A  42
ALA A  68
PRO A  47
PHE A  79
ILE A 238
 None
 0.85A 2cd2A-4p2bA:
undetectable		 2cd2A-4p2bA:
16.61
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
THR A  46
ARG A  57
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
NAP  A 202 (-3.2A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.27A 2cd2A-4p68A:
20.2		 2cd2A-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.
4xn3 TAIL SPIKE PROTEIN

(Salmonella
virus HK620) 		no annotation 5 ILE A 496
ALA A 459
ILE A 420
THR A 503
PHE A 424
 None
 1.02A 2cd2A-4xn3A:
undetectable		 2cd2A-4xn3A:
14.72
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.
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 2cd2A-4ysjA:
undetectable		 2cd2A-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.
5b83 TETRA UBIQUITIN

(Homo sapiens) 		PF00240
(ubiquitin) 		5 ILE A  79
THR A  83
PHE A 121
LEU A 119
ILE A 106
 None
 0.97A 2cd2A-5b83A:
undetectable		 2cd2A-5b83A:
22.74
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
THR A  63
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.43A 2cd2A-5dxvA:
12.3		 2cd2A-5dxvA:
24.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ILE A   6
ALA A   8
THR A  47
LEU A  55
TYR A 101
THR A 114
 None
 0.53A 2cd2A-5fdaA:
14.1		 2cd2A-5fdaA:
31.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ILE A   6
THR A  47
LEU A  55
ARG A  58
TYR A 101
THR A 114
 None
 1.15A 2cd2A-5fdaA:
14.1		 2cd2A-5fdaA:
31.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hj5 GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Vibrio cholerae) 		PF01182
(Glucosamine_iso) 		5 ILE A  24
ILE A  97
THR A  48
LEU A  39
ILE A  20
 None
 1.06A 2cd2A-5hj5A:
undetectable		 2cd2A-5hj5A:
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.
5ibk POLYUBIQUITIN-B

(Homo sapiens) 		no annotation 5 ILE F   3
THR F   7
PHE F  45
LEU F  43
ILE F  30
 None
 0.86A 2cd2A-5ibkF:
undetectable		 2cd2A-5ibkF:
21.23
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.
5jg6 POLYUBIQUITIN-B

(Homo sapiens) 		PF00240
(ubiquitin) 		5 ILE B   3
THR B   7
PHE B  45
LEU B  43
ILE B  30
 None
 0.98A 2cd2A-5jg6B:
undetectable		 2cd2A-5jg6B:
17.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jip CORTICAL-LYTIC
ENZYME

(Clostridium
perfringens) 		PF01183
(Glyco_hydro_25) 		5 ILE A  68
THR A  14
PRO A  17
LEU A 108
ILE A 226
 None
 0.98A 2cd2A-5jipA:
undetectable		 2cd2A-5jipA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lt1 KINESIN-LIKE PROTEIN

(Homo sapiens) 		PF00225
(Kinesin) 		5 ILE A  69
ALA A 294
LEU A 290
ILE A   9
ILE A  81
 None
 1.05A 2cd2A-5lt1A:
undetectable		 2cd2A-5lt1A:
19.75
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.
5mev INDUCED MYELOID
LEUKEMIA CELL
DIFFERENTIATION
PROTEIN MCL-1
HOMOLOG,INDUCED
MYELOID LEUKEMIA
CELL DIFFERENTIATION
PROTEIN MCL-1

(Homo sapiens;
Mus musculus) 		PF00452
(Bcl-2) 		5 ILE A 182
LEU A 306
ILE A 264
PHE A 318
ILE A 181
 None
 1.03A 2cd2A-5mevA:
undetectable		 2cd2A-5mevA:
24.52
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.
5mu5 UNCHARACTERIZED
PROTEIN

(Magnetospirillum
magneticum) 		no annotation 5 ALA A 215
LEU A 135
ILE A 149
THR A 163
TYR A  57
 None
 1.05A 2cd2A-5mu5A:
undetectable		 2cd2A-5mu5A:
15.17
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.
5n1q METHYL-COENZYME M
REDUCTASE III FROM
METHANOTHERMOCOCCUS
THERMOLITHOTROPHICUS
SUBUNIT BETA

(Methanothermococcus
thermolithotrophicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 ILE B 160
ALA B 137
ILE B  85
ILE B 156
THR B 134
 None
 1.00A 2cd2A-5n1qB:
undetectable		 2cd2A-5n1qB:
17.41
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.
5o76 UBV.PCBL UBIQUITIN
VARIANT

(Homo sapiens) 		no annotation 5 ILE E   3
THR E   7
PHE E  45
LEU E  43
ILE E  30
 None
 0.89A 2cd2A-5o76E:
undetectable		 2cd2A-5o76E:
17.48
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 ALA A  10
LEU A  23
THR A  83
PRO A  88
PHE A  91
LEU A  94
ARG A  97
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
None
NDP  A 702 (-3.2A)
73X  A 704 (-4.0A)
73X  A 704 ( 4.2A)
None
None
None
73X  A 704 (-4.2A)
 0.58A 2cd2A-5t0lA:
23.6		 2cd2A-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.
5t5q SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		5 ILE A 135
LEU A 138
THR A  13
LEU A  10
THR A 164
 None
NAD  A 300 (-3.8A)
None
None
None
 1.03A 2cd2A-5t5qA:
undetectable		 2cd2A-5t5qA:
20.31
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.
5u84 ACID CERAMIDASE

(Balaenoptera
acutorostrata) 		no annotation 5 ILE A 125
LEU A  80
ILE A  76
PHE A 204
ILE A 130
 None
 0.98A 2cd2A-5u84A:
undetectable		 2cd2A-5u84A:
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.
5ucl POLYUBIQUITIN-B

(Homo sapiens) 		PF00240
(ubiquitin) 		5 ILE A   3
THR A   7
PHE A  45
LEU A  43
ILE A  30
 None
 0.78A 2cd2A-5uclA:
undetectable		 2cd2A-5uclA:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uf2 RIBOSE-5-PHOSPHATE
ISOMERASE A

(Neisseria
gonorrhoeae) 		PF06026
(Rib_5-P_isom_A) 		5 ILE A 190
ALA A 136
PRO A 131
LEU A 175
ILE A 187
 None
None
None
EDO  A 309 (-4.4A)
None
 0.94A 2cd2A-5uf2A:
undetectable		 2cd2A-5uf2A:
22.48
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.
5uvr PILO PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 ILE A 148
LEU A 167
THR A 197
PRO A 110
ILE A 146
 None
None
MLY  A 196 ( 3.7A)
None
None
 1.03A 2cd2A-5uvrA:
undetectable		 2cd2A-5uvrA:
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.
5v5g UBIQUITIN VARIANT
CC.4

(synthetic
construct) 		PF00240
(ubiquitin) 		5 ILE B   3
THR B   7
PHE B  45
LEU B  43
ILE B  30
 None
 0.86A 2cd2A-5v5gB:
undetectable		 2cd2A-5v5gB:
19.23
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.
5vc2 SERINE
HYDROXYMETHYLTRANSFE
RASE

(Helicobacter
pylori) 		PF00464
(SHMT) 		5 ALA A 296
LEU A 293
ILE A 381
LEU A 401
ILE A 376
 None
 0.97A 2cd2A-5vc2A:
undetectable		 2cd2A-5vc2A:
20.00
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.
5vix POLYUBIQUITIN

(Naegleria
gruberi) 		PF00240
(ubiquitin) 		5 ILE A   3
THR A   7
PHE A  45
LEU A  43
ILE A  30
 None
 1.01A 2cd2A-5vixA:
undetectable		 2cd2A-5vixA:
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.
5vmk BIFUNCTIONAL PROTEIN
GLMU

(Acinetobacter
baumannii) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3)
PF14602
(Hexapep_2) 		5 ALA A 367
LEU A 406
ILE A 375
PHE A 399
THR A 350
 None
 0.92A 2cd2A-5vmkA:
undetectable		 2cd2A-5vmkA:
17.17
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.
5xtb NADH-UBIQUINONE
OXIDOREDUCTASE 75
KDA SUBUNIT,
MITOCHONDRIAL

(Homo sapiens) 		PF00384
(Molybdopterin)
PF09326
(NADH_dhqG_C)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4) 		5 ILE M 622
LEU M 330
ILE M 567
LEU M 547
ILE M 623
 None
 1.05A 2cd2A-5xtbM:
undetectable		 2cd2A-5xtbM:
14.75
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.
5zcy PROTEIN TRANSLATION
FACTOR SUI1 HOMOLOG

(Pyrococcus
horikoshii) 		no annotation 5 ILE A  96
ILE A  43
THR A  38
LEU A  57
ILE A  82
 None
 1.03A 2cd2A-5zcyA:
undetectable		 2cd2A-5zcyA:
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.
6bpz PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT
1,PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT
1,MOUSE
PIEZO1,PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT
1,PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		no annotation 5 LEU A2521
ILE A1352
LEU A2506
ILE A2510
THR A2516
 None
 1.01A 2cd2A-6bpzA:
undetectable		 2cd2A-6bpzA:
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.
6byh POLYUBIQUITIN-B

(Homo sapiens) 		no annotation 5 ILE C   3
THR C   7
PHE C  45
LEU C  43
ILE C  30
 None
 0.96A 2cd2A-6byhC:
undetectable		 2cd2A-6byhC:
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 9 ILE A   6
ALA A   8
THR A  47
PRO A  52
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
NAP  A 201 (-3.3A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.36A 2cd2A-6cxmA:
19.2		 2cd2A-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
LEU A  20
THR A  46
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
NAP  A 201 ( 3.3A)
None
None
MMV  A 202 (-4.3A)
 0.66A 2cd2A-6e4eA:
19.6		 2cd2A-6e4eA:
undetectable