SIMILAR PATTERNS OF AMINO ACIDS FOR 3IX9_A_MTXA200_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
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
GLU A  30
LEU A  67
ARG A  70
VAL A 115
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-3.0A)
None
None
HBI  A 198 ( 4.3A)
HBI  A 198 ( 4.5A)
 0.66A 3ix9A-1dr6A:
21.3		 3ix9A-1dr6A:
31.68
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		6 LEU A  28
LEU A  37
GLN A  38
LYS A  41
LEU A  63
ARG A  66
 None
 0.97A 3ix9A-1juvA:
18.5		 3ix9A-1juvA:
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.
1k0f PERIPLASMIC
ZINC-BINDING PROTEIN
TROA

(Treponema
pallidum) 		PF01297
(ZnuA) 		5 ALA A 198
GLU A 248
LEU A  93
VAL A 219
THR A 197
 None
 1.07A 3ix9A-1k0fA:
undetectable		 3ix9A-1k0fA:
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.
1k8g TELOMERE-BINDING
PROTEIN ALPHA
SUBUNIT

(Sterkiella nova) 		PF02765
(POT1) 		5 ILE A  59
ALA A  61
LEU A 100
GLN A 135
LEU A  41
 None
 1.17A 3ix9A-1k8gA:
undetectable		 3ix9A-1k8gA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mlz 7,8-DIAMINO-PELARGON
IC ACID
AMINOTRANSFERASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		5 ILE A 390
TRP A 389
LEU A 410
GLN A 411
LEU A 347
 None
 1.15A 3ix9A-1mlzA:
undetectable		 3ix9A-1mlzA:
17.45
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.
1sgq STREPTOMYCES GRISEUS
PROTEINASE B

(Streptomyces
griseus) 		PF00089
(Trypsin) 		5 ILE E 124
ALA E 127
LEU E 235
LEU E 212
LEU E  44
 None
 1.16A 3ix9A-1sgqE:
undetectable		 3ix9A-1sgqE:
18.31
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) 		7 ILE A   7
ALA A   9
GLU A  30
LEU A  67
ARG A  70
VAL A 115
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-3.0A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
MTX  A 187 ( 4.0A)
MTX  A 187 (-4.4A)
 0.53A 3ix9A-1u70A:
21.2		 3ix9A-1u70A:
32.18
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
ALA A   9
GLU A  30
ARG A  70
VAL A 115
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
None
MXA  A 187 (-4.3A)
MXA  A 187 (-4.3A)
 0.33A 3ix9A-1u71A:
21.0		 3ix9A-1u71A:
32.18
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
ALA A   9
GLU A  30
LEU A  67
ARG A  70
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
None
None
MXA  A 187 (-4.3A)
 0.57A 3ix9A-1u71A:
21.0		 3ix9A-1u71A:
32.18
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.
1wuf HYPOTHETICAL PROTEIN
LIN2664

(Listeria
innocua) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A1006
LEU A1369
GLN A1071
LEU A1090
VAL A1108
 None
 1.20A 3ix9A-1wufA:
undetectable		 3ix9A-1wufA:
21.68
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.
1x77 CONSERVED
HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF03358
(FMN_red) 		5 ALA A 116
LEU A  26
GLN A  27
LEU A 175
VAL A 147
 FMN  A 200 ( 4.6A)
None
None
None
None
 1.18A 3ix9A-1x77A:
undetectable		 3ix9A-1x77A:
18.63
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.
1z26 ARGONAUTE

(Pyrococcus
furiosus) 		PF02171
(Piwi)
PF12212
(PAZ_siRNAbind) 		5 ALA A 400
LEU A 392
LEU A 483
VAL A 504
THR A 401
 None
 1.16A 3ix9A-1z26A:
undetectable		 3ix9A-1z26A:
12.80
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.
1z26 ARGONAUTE

(Pyrococcus
furiosus) 		PF02171
(Piwi)
PF12212
(PAZ_siRNAbind) 		5 LEU A 510
LEU A 392
LEU A 483
VAL A 504
THR A 401
 None
 1.17A 3ix9A-1z26A:
undetectable		 3ix9A-1z26A:
12.80
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
LEU A  28
LYS A  32
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.67A 3ix9A-1zdrA:
25.4		 3ix9A-1zdrA:
39.47
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.
2agc GANGLIOSIDE GM2
ACTIVATOR

(Mus musculus) 		PF02221
(E1_DerP2_DerF2) 		5 ILE A 139
ALA A 157
LEU A 159
LEU A  72
VAL A  55
 None
DAO  A2055 ( 3.9A)
DAO  A2055 (-4.8A)
DAO  A2055 (-3.6A)
DAO  A2055 ( 4.8A)
 1.17A 3ix9A-2agcA:
undetectable		 3ix9A-2agcA:
25.36
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.
2b7n PROBABLE
NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Helicobacter
pylori) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 ILE A 205
ALA A 203
LEU A 172
LEU A 157
ARG A 148
 None
None
None
None
NTM  A1001 (-3.6A)
 1.13A 3ix9A-2b7nA:
undetectable		 3ix9A-2b7nA:
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ILE A  13
ALA A  15
LEU A  45
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.68A 3ix9A-2blbA:
21.2		 3ix9A-2blbA:
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.
2i71 HYPOTHETICAL PROTEIN

(Sulfolobus
solfataricus) 		PF09455
(Cas_DxTHG) 		5 ILE A  48
GLN A 142
LEU A 114
VAL A  46
THR A 126
 None
 1.00A 3ix9A-2i71A:
undetectable		 3ix9A-2i71A:
21.52
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.
2iaf HYPOTHETICAL PROTEIN
SDHL

(Legionella
pneumophila) 		PF03315
(SDH_beta) 		5 ALA A 119
LEU A  20
GLN A  19
VAL A  35
THR A  30
 None
 1.04A 3ix9A-2iafA:
undetectable		 3ix9A-2iafA:
24.62
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.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 LEU A 118
LEU A 157
LEU A 164
VAL A  68
THR A 183
 None
 1.14A 3ix9A-2it4A:
undetectable		 3ix9A-2it4A:
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.
2o3i HYPOTHETICAL PROTEIN

(Chromobacterium
violaceum) 		PF06032
(DUF917) 		5 ALA A 156
LEU A 206
GLN A 189
VAL A 166
THR A 154
 None
 1.20A 3ix9A-2o3iA:
undetectable		 3ix9A-2o3iA:
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  11
LEU A  25
LEU A  33
LEU A  67
ARG A  70
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
MTX  A 605 ( 4.2A)
 0.56A 3ix9A-2oipA:
21.8		 3ix9A-2oipA:
16.86
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.
2opj O-SUCCINYLBENZOATE-C
OA SYNTHASE

(Thermobifida
fusca) 		PF13378
(MR_MLE_C) 		5 ALA A 217
LEU A 242
LEU A 249
ARG A 128
VAL A 201
 None
 1.16A 3ix9A-2opjA:
undetectable		 3ix9A-2opjA:
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.
2owa ARFGAP-LIKE FINGER
DOMAIN CONTAINING
PROTEIN

(Cryptosporidium
parvum) 		PF01412
(ArfGap) 		5 ILE A  94
ALA A  55
LEU A  52
GLN A 130
VAL A  90
 None
 0.96A 3ix9A-2owaA:
undetectable		 3ix9A-2owaA:
24.18
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
GLU A  28
LEU A  29
GLN A  30
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.4A)
 1.06A 3ix9A-2qk8A:
25.7		 3ix9A-2qk8A:
37.17
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) 		8 ALA A   8
LEU A  21
GLU A  28
LEU A  29
LYS A  33
LEU A  55
ARG A  58
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.4A)
 0.79A 3ix9A-2qk8A:
25.7		 3ix9A-2qk8A:
37.17
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.
2r3s UNCHARACTERIZED
PROTEIN

(Nostoc
punctiforme) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 ALA A 259
GLN A 251
LEU A 241
VAL A 266
THR A 258
 None
 1.14A 3ix9A-2r3sA:
undetectable		 3ix9A-2r3sA:
18.81
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.
2r9v ATP SYNTHASE SUBUNIT
ALPHA

(Thermotoga
maritima) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 ILE A 130
LEU A  77
LEU A 235
GLN A 236
VAL A  98
 None
 1.11A 3ix9A-2r9vA:
undetectable		 3ix9A-2r9vA:
17.77
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.
2sfa SERINE PROTEINASE

(Streptomyces
fradiae) 		PF00089
(Trypsin) 		5 ILE A  91
ALA A  94
LEU A 183
LEU A 160
LEU A  17
 None
 1.13A 3ix9A-2sfaA:
undetectable		 3ix9A-2sfaA:
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 TRP A  10
ALA A  11
LEU A  32
LEU A  61
ARG A  64
THR A 121
 None
VG9  A1168 ( 3.8A)
VG9  A1168 (-4.7A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.7A)
 0.81A 3ix9A-2w3wA:
22.9		 3ix9A-2w3wA:
27.78
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
LEU A  20
LEU A  28
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.57A 3ix9A-2w9sA:
25.1		 3ix9A-2w9sA:
34.71
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
LEU A  20
LEU A  28
LYS A  32
ARG A  57
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.59A 3ix9A-2w9sA:
25.1		 3ix9A-2w9sA:
34.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		7 TRP A   5
ALA A   6
LEU A  19
LEU A  27
LEU A  54
ARG A  57
THR A 116
 None
MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.38A 3ix9A-3dfrA:
25.6		 3ix9A-3dfrA:
32.32
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ILE A  14
ALA A  16
LEU A  46
LEU A 119
ARG A 122
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-4.4A)
None
RJ6  A 609 ( 4.5A)
 0.84A 3ix9A-3dg8A:
21.0		 3ix9A-3dg8A:
21.91
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.
3f0h AMINOTRANSFERASE

([Eubacterium]
rectale) 		PF00266
(Aminotran_5) 		5 ALA A 299
LEU A 351
LEU A 344
VAL A 294
THR A 298
 None
 1.17A 3ix9A-3f0hA:
undetectable		 3ix9A-3f0hA:
20.95
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.
3ghp CELLULOSOMAL
SCAFFOLDIN ADAPTOR
PROTEIN B

(Acetivibrio
cellulolyticus) 		PF00963
(Cohesin) 		5 ILE A  46
ALA A  29
LEU A  53
GLN A  54
VAL A 136
 None
 1.14A 3ix9A-3ghpA:
undetectable		 3ix9A-3ghpA:
20.26
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.
3h5j 3-ISOPROPYLMALATE
DEHYDRATASE SMALL
SUBUNIT

(Mycobacterium
tuberculosis) 		PF00694
(Aconitase_C) 		5 ILE A 127
ALA A 146
LEU A 151
LEU A 122
ARG A  15
 None
 1.19A 3ix9A-3h5jA:
undetectable		 3ix9A-3h5jA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h8w RIBONUCLEASE H

(Escherichia
virus T4) 		PF02739
(5_3_exonuc_N)
PF09293
(RNaseH_C) 		5 ILE A 112
LEU A  25
GLN A  22
LEU A  46
VAL A 111
 None
 1.16A 3ix9A-3h8wA:
undetectable		 3ix9A-3h8wA:
17.11
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.
3hn2 2-DEHYDROPANTOATE
2-REDUCTASE

(Geobacter
metallireducens) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 ILE A 144
GLN A  96
LEU A  19
VAL A 169
THR A 173
 None
 1.17A 3ix9A-3hn2A:
undetectable		 3ix9A-3hn2A:
21.43
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
LEU X  20
LEU X  28
LEU X  54
ARG X  57
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-4.4A)
None
None
N22  X 219 (-4.4A)
 0.66A 3ix9A-3i8aX:
25.1		 3ix9A-3i8aX:
29.03
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
LEU X  20
LYS X  32
LEU X  54
ARG X  57
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
None
None
None
N22  X 219 (-4.4A)
 0.79A 3ix9A-3i8aX:
25.1		 3ix9A-3i8aX:
29.03
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) 		6 ILE A   6
ALA A   8
GLU A  28
LEU A  29
GLN A  30
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.3A)
MTX  A 164 (-4.3A)
 0.86A 3ix9A-3ia4A:
25.2		 3ix9A-3ia4A:
33.85
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
GLU A  28
LEU A  29
LYS A  33
LEU A  55
ARG A  58
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.0A)
MTX  A 164 (-3.2A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.3A)
 0.37A 3ix9A-3ia4A:
25.2		 3ix9A-3ia4A:
33.85
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.
3lcr TAUTOMYCETIN
BIOSYNTHETIC PKS

(Streptomyces
sp. CK4412) 		PF00975
(Thioesterase) 		5 ILE A 158
ALA A 129
LEU A 275
LEU A  82
VAL A 223
 None
 1.15A 3ix9A-3lcrA:
undetectable		 3ix9A-3lcrA:
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.
3mg3 ORANGE
CAROTENOID-BINDING
PROTEIN

(Synechocystis
sp. PCC 6803) 		PF02136
(NTF2)
PF09150
(Carot_N) 		5 ILE A  40
TRP A  41
ALA A  38
LEU A 131
LEU A  31
 ECH  A 351 (-3.5A)
ECH  A 351 ( 4.7A)
None
None
None
 0.95A 3ix9A-3mg3A:
undetectable		 3ix9A-3mg3A:
20.62
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.
3ojb GALECTIN-8

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 ILE A 129
ALA A  13
LEU A  15
LYS A  28
VAL A  40
 None
 1.13A 3ix9A-3ojbA:
undetectable		 3ix9A-3ojbA:
22.51
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.
3on9 TUMOUR NECROSIS
FACTOR RECEPTOR

(Ectromelia
virus) 		PF07190
(DUF1406) 		5 ILE A 284
ALA A 300
LEU A 255
GLN A 254
VAL A 168
 None
 1.08A 3ix9A-3on9A:
undetectable		 3ix9A-3on9A:
21.99
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.
3pg7 NEUROFIBROMIN

(Homo sapiens) 		PF13716
(CRAL_TRIO_2) 		5 ILE A1620
ALA A1655
GLN A1702
LEU A1705
VAL A1622
 PTY  A 400 (-3.8A)
None
None
None
None
 1.19A 3ix9A-3pg7A:
undetectable		 3ix9A-3pg7A:
20.16
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 ALA A  34
GLN A  56
LEU A  97
ARG A 100
THR A 184
 WRA  A 602 (-3.9A)
None
None
None
WRA  A 602 (-4.2A)
 0.89A 3ix9A-3rg9A:
19.1		 3ix9A-3rg9A:
23.08
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
LEU A  29
LYS A  33
LEU A  55
ARG A  58
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-3.9A)
None
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 (-4.3A)
 0.65A 3ix9A-3tq9A:
24.5		 3ix9A-3tq9A:
35.94
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.
3u0h XYLOSE ISOMERASE
DOMAIN PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF01261
(AP_endonuc_2) 		6 ALA A 100
LEU A 102
LEU A 117
GLN A 116
ARG A 122
VAL A 171
 None
None
None
GOL  A 283 (-4.6A)
EDO  A 281 (-4.0A)
None
 1.18A 3ix9A-3u0hA:
undetectable		 3ix9A-3u0hA:
23.36
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.
3ubm FORMYL-COA:OXALATE
COA-TRANSFERASE

(Acetobacter
aceti) 		PF02515
(CoA_transf_3) 		5 ILE A  98
ALA A  96
LEU A 118
GLN A 119
LYS A 214
 None
 1.17A 3ix9A-3ubmA:
undetectable		 3ix9A-3ubmA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A  14
LEU A  46
LEU A 119
ARG A 122
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.75A 3ix9A-3um6A:
20.9		 3ix9A-3um6A:
14.05
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
LYS A  33
LEU A  64
ARG A  67
THR A 133
 None
 0.77A 3ix9A-3vcoA:
17.7		 3ix9A-3vcoA:
32.39
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.
4a39 METALLO-CARBOXYPEPTI
DASE

(Pseudomonas
aeruginosa) 		PF00246
(Peptidase_M14) 		5 ILE A 334
ALA A 164
LEU A 180
GLN A 361
LEU A 367
 None
 1.02A 3ix9A-4a39A:
undetectable		 3ix9A-4a39A:
20.10
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.
4ad8 DNA REPAIR PROTEIN
RECN

(Deinococcus
radiodurans) 		PF02463
(SMC_N) 		5 ILE A 398
LEU A 461
LEU A 390
LEU A 428
VAL A 453
 None
 1.03A 3ix9A-4ad8A:
undetectable		 3ix9A-4ad8A:
14.40
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.
4b09 TRANSCRIPTIONAL
REGULATORY PROTEIN
BAER

(Escherichia
coli) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		5 ALA A 164
LEU A 189
LYS A 206
ARG A 209
THR A 162
 None
 1.19A 3ix9A-4b09A:
undetectable		 3ix9A-4b09A:
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.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		5 ALA A  97
GLU A 129
LEU A  55
GLN A 128
LEU A 115
 None
 1.16A 3ix9A-4bqiA:
undetectable		 3ix9A-4bqiA:
13.69
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.
4cpd ALCOHOL
DEHYDROGENASE

(Thermus sp.
ATN1) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 148
ALA A 150
LEU A 303
GLN A 312
VAL A  62
 None
 1.17A 3ix9A-4cpdA:
3.5		 3ix9A-4cpdA:
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.
4f9o HEXOKINASE-1

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 ILE A 753
LEU A 474
GLN A 832
VAL A 754
THR A 723
 None
 1.19A 3ix9A-4f9oA:
undetectable		 3ix9A-4f9oA:
11.93
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		7 ILE X  10
ALA X  12
LEU X  25
GLU X  32
LEU X  72
ARG X  75
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
None
None
TOP  X 301 (-4.5A)
 0.68A 3ix9A-4g8zX:
20.4		 3ix9A-4g8zX:
24.24
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.
4gkf CRISPR SYSTEM CMR
SUBUNIT CMR5

(Pyrococcus
furiosus) 		PF09701
(Cas_Cmr5) 		6 ILE A 111
ALA A 139
GLN A  63
LEU A  69
VAL A 112
THR A 140
 None
 1.32A 3ix9A-4gkfA:
undetectable		 3ix9A-4gkfA:
23.15
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.
4gkf CRISPR SYSTEM CMR
SUBUNIT CMR5

(Pyrococcus
furiosus) 		PF09701
(Cas_Cmr5) 		5 ILE A 111
ALA A 139
LEU A  62
GLN A  63
VAL A 112
 None
 1.19A 3ix9A-4gkfA:
undetectable		 3ix9A-4gkfA:
23.15
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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		7 ILE A   9
ALA A  11
GLU A  32
LYS A  37
LEU A  69
ARG A  72
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-2.8A)
None
None
None
14Q  A 202 ( 4.6A)
 0.83A 3ix9A-4h96A:
18.4		 3ix9A-4h96A:
27.49
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		7 ILE A   9
ALA A  11
LEU A  25
GLU A  32
LEU A  69
ARG A  72
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.8A)
None
None
14Q  A 302 (-4.2A)
 0.68A 3ix9A-4h98A:
19.8		 3ix9A-4h98A:
27.63
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.
4i4n INTRACELLULAR
PROTEASE/AMIDASE

(Vibrio cholerae) 		no annotation 5 ILE A 139
ALA A 142
LEU A 133
VAL A 173
THR A 141
 None
 1.11A 3ix9A-4i4nA:
undetectable		 3ix9A-4i4nA:
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.
4jc0 RIBOSOMAL PROTEIN
S12
METHYLTHIOTRANSFERAS
E RIMO

(Thermotoga
maritima) 		PF00919
(UPF0004)
PF04055
(Radical_SAM) 		5 ILE A 169
LEU A 189
LEU A 207
GLN A 205
ARG A 212
 None
 1.07A 3ix9A-4jc0A:
undetectable		 3ix9A-4jc0A:
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.
4k29 ENOYL-COA
HYDRATASE/ISOMERASE

(Xanthobacter
autotrophicus) 		PF00378
(ECH_1) 		5 ILE A  53
ALA A 104
LEU A 117
LEU A  19
VAL A  52
 None
 1.15A 3ix9A-4k29A:
undetectable		 3ix9A-4k29A:
21.48
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) 		6 ILE A   5
TRP A   6
ALA A   7
LEU A  57
ARG A  60
THR A 113
 TMQ  A 202 (-4.0A)
None
TMQ  A 202 ( 3.5A)
None
None
TMQ  A 202 (-4.2A)
 0.66A 3ix9A-4m2xA:
21.4		 3ix9A-4m2xA:
31.84
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) 		8 ILE A   5
TRP A   6
ALA A   7
LEU A  20
LEU A  28
LEU A  55
ARG A  58
THR A 116
 RAR  A 200 (-4.0A)
None
RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.56A 3ix9A-4m7vA:
26.5		 3ix9A-4m7vA:
39.27
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.
4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF05994
(FragX_IP)
PF07159
(DUF1394) 		5 ILE A 458
LEU A 648
LEU A 621
GLN A 620
VAL A 454
 None
None
None
GOL  A1304 (-2.9A)
None
 1.04A 3ix9A-4n78A:
undetectable		 3ix9A-4n78A:
9.59
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
ALA A   7
LYS A  32
ARG A  57
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.9A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.5A)
 0.31A 3ix9A-4p68A:
25.1		 3ix9A-4p68A:
35.26
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.
4peq RIBONUCLEASE/ANGIOGE
NIN INHIBITOR 1

(Bos taurus) 		PF13516
(LRR_6) 		5 LEU B  53
LEU B  75
GLN B  76
LEU B  87
THR B 109
 None
 1.16A 3ix9A-4peqB:
undetectable		 3ix9A-4peqB:
16.74
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		6 LEU A 747
LEU A 688
GLN A 689
LEU A 755
ARG A 564
THR A 679
 None
 1.42A 3ix9A-4q2cA:
undetectable		 3ix9A-4q2cA:
10.82
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.
4qg5 PUTATIVE
PHOSPHOGLUCOMUTASE

(Leishmania
major) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		6 TRP A 419
LEU A 417
LEU A 238
GLN A 211
LEU A 245
VAL A 296
 None
 1.44A 3ix9A-4qg5A:
undetectable		 3ix9A-4qg5A:
14.70
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.
4qj4 1-PHOSPHATIDYLINOSIT
OL 4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		5 ILE B 796
ALA B 798
LEU B 738
LYS B 731
VAL B 823
 None
 1.10A 3ix9A-4qj4B:
undetectable		 3ix9A-4qj4B:
14.16
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.
4tm5 D-AMINO ACID
AMINOTRANSFERASE

(Burkholderia
thailandensis) 		PF01063
(Aminotran_4) 		5 ILE A  47
ALA A 134
LEU A  87
LEU A  63
VAL A  45
 None
 1.06A 3ix9A-4tm5A:
undetectable		 3ix9A-4tm5A:
21.66
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.
4txk PROTEIN-METHIONINE
SULFOXIDE OXIDASE
MICAL1

(Mus musculus) 		PF00307
(CH)
PF01494
(FAD_binding_3) 		5 ALA A 363
LEU A 303
LEU A 319
GLN A 318
ARG A 233
 None
 1.11A 3ix9A-4txkA:
undetectable		 3ix9A-4txkA:
15.56
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.
4x9e DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE

(Escherichia
coli) 		PF01966
(HD) 		5 ALA A 204
LEU A 102
LEU A  85
VAL A 110
THR A 202
 None
 1.16A 3ix9A-4x9eA:
undetectable		 3ix9A-4x9eA:
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.
4zh7 OUTER MEMBRANE
PROTEIN-ADHESIN

(Helicobacter
pylori) 		no annotation 5 ILE A  90
ALA A 259
LEU A 174
LEU A 321
LEU A 436
 None
 1.17A 3ix9A-4zh7A:
undetectable		 3ix9A-4zh7A:
16.98
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.
5dlq EXPORTIN-4

(Mus musculus) 		no annotation 5 ILE B 856
LEU B 835
GLN B 887
LEU B 921
VAL B 860
 None
 1.15A 3ix9A-5dlqB:
undetectable		 3ix9A-5dlqB:
10.64
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
ALA A   7
LEU A  71
ARG A  74
THR A 130
 None
NAP  A 201 (-3.7A)
None
None
CME  A 140 ( 4.5A)
 0.62A 3ix9A-5dxvA:
14.3		 3ix9A-5dxvA:
27.60
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		5 ILE A   5
LEU A  45
LEU A  71
ARG A  74
THR A 130
 None
PEG  A 202 (-4.2A)
None
None
CME  A 140 ( 4.5A)
 0.99A 3ix9A-5dxvA:
14.3		 3ix9A-5dxvA:
27.60
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.
5exk LIPOYL SYNTHASE

(Mycobacterium
tuberculosis) 		PF04055
(Radical_SAM)
PF16881
(LIAS_N) 		5 ILE A 243
ALA A 295
GLU A 153
LEU A 155
VAL A 244
 None
None
None
MET  A 404 ( 4.6A)
None
 1.13A 3ix9A-5exkA:
undetectable		 3ix9A-5exkA:
22.99
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.
5hgr ORANGE CAROTENOID
PROTEIN (OCP)

(Nostoc sp. PCC
7120) 		PF02136
(NTF2)
PF09150
(Carot_N) 		5 TRP A  41
ALA A  38
LEU A 131
LEU A  31
LEU A  24
 45D  A 501 (-4.7A)
None
None
None
None
 0.89A 3ix9A-5hgrA:
undetectable		 3ix9A-5hgrA:
20.42
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.
5j5l UNCHARACTERIZED
PROTEIN

(Aspergillus
fumigatus) 		PF12296
(HsbA) 		5 ALA A 133
GLU A  69
LEU A  68
GLN A  67
VAL A 127
 None
None
None
None
ACD  A 201 (-4.1A)
 1.02A 3ix9A-5j5lA:
undetectable		 3ix9A-5j5lA:
19.90
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.
5j7z PUTATIVE SECRETED
ENDOGLYCOSYLCERAMIDA
SE

(Rhodococcus
hoagii) 		PF00150
(Cellulase) 		5 ALA A 289
GLN A 132
LEU A 243
VAL A 256
THR A 338
 None
 1.12A 3ix9A-5j7zA:
undetectable		 3ix9A-5j7zA:
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.
5sga PROTEINASE A (SGPA)

(Streptomyces
griseus) 		PF00089
(Trypsin) 		5 ILE E 124
ALA E 127
LEU E 235
LEU E 212
LEU E  44
 None
 1.13A 3ix9A-5sgaE:
undetectable		 3ix9A-5sgaE:
20.57
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.
5sv6 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 3

(Methylophaga
aminisulfidivorans) 		PF00497
(SBP_bac_3) 		5 ILE A 245
GLU A  57
GLN A  59
LEU A  72
VAL A  96
 None
 1.15A 3ix9A-5sv6A:
undetectable		 3ix9A-5sv6A:
24.32
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  10
LEU A  23
ARG A  97
VAL A 151
THR A 172
 73X  A 704 (-4.0A)
None
None
73X  A 704 ( 3.8A)
73X  A 704 (-4.2A)
 0.54A 3ix9A-5t0lA:
20.3		 3ix9A-5t0lA:
15.36
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) 		5 ALA A  10
LEU A  23
LEU A  94
ARG A  97
THR A 172
 73X  A 704 (-4.0A)
None
None
None
73X  A 704 (-4.2A)
 0.75A 3ix9A-5t0lA:
20.3		 3ix9A-5t0lA:
15.36
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.
5t82 REVERSE
TRANSCRIPTASE

(Human
immunodeficiency
virus 1) 		PF06817
(RVT_thumb) 		5 ILE A 293
LEU A 279
GLN A 278
LYS A 281
VAL A 254
 None
 1.09A 3ix9A-5t82A:
undetectable		 3ix9A-5t82A:
16.84
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.
5ui2 ORANGE
CAROTENOID-BINDING
PROTEIN

(Arthrospira
maxima) 		PF02136
(NTF2)
PF09150
(Carot_N) 		5 ILE A  40
TRP A  41
ALA A  38
LEU A 131
LEU A  31
 EQ3  A 403 (-3.9A)
None
None
None
None
 0.96A 3ix9A-5ui2A:
undetectable		 3ix9A-5ui2A:
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.
5yim SDEA

(Legionella
pneumophila) 		no annotation 5 ILE A 292
ALA A 437
LEU A 306
VAL A 293
THR A 438
 None
 1.09A 3ix9A-5yimA:
undetectable		 3ix9A-5yimA:
16.84
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ILE A   6
TRP A   7
ALA A   8
LEU A  29
LEU A  58
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
None
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.93A 3ix9A-6cxmA:
20.5		 3ix9A-6cxmA:
27.06
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ILE A   6
TRP A   7
ALA A   8
LYS A  33
LEU A  58
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
None
NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.66A 3ix9A-6cxmA:
20.5		 3ix9A-6cxmA:
27.06
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.
6e4e -

(-) 		no annotation 6 ALA A   7
LEU A  20
LEU A  28
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-4.2A)
None
None
MMV  A 202 (-4.3A)
 0.55A 3ix9A-6e4eA:
25.0		 3ix9A-6e4eA:
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.
6fyh E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		no annotation 5 ILE A 289
LEU A 371
LEU A 356
GLN A 355
LEU A 273
 None
 1.18A 3ix9A-6fyhA:
undetectable		 3ix9A-6fyhA:
17.88