SIMILAR PATTERNS OF AMINO ACIDS FOR 3IX9_B_MTXB200

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.
1dkp PHYTASE

(Escherichia
coli) 		PF00328
(His_Phos_2) 		5 ILE A 399
LEU A 310
GLN A 349
LEU A 279
VAL A 400
 None
 1.17A 3ix9B-1dkpA:
undetectable		 3ix9B-1dkpA:
18.69
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)
 0.70A 3ix9B-1dr6A:
20.8		 3ix9B-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.
1gl2 SYNTAXIN 7
SYNTAXIN 8
VESICLE TRANSPORT
V-SNARE PROTEIN
VTI1-LIKE 1

(Mus musculus;
Rattus
norvegicus) 		PF05739
(SNARE)
PF12352
(V-SNARE_C)
no annotation 		5 ILE B 182
ALA B 180
GLN C 144
ARG B 171
LEU D 155
 None
 1.17A 3ix9B-1gl2B:
undetectable		 3ix9B-1gl2B:
17.06
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 LEU A  28
LEU A  37
LYS A  41
LEU A  63
ARG A  66
 None
 1.01A 3ix9B-1juvA:
19.1		 3ix9B-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.
1nw1 CHOLINE KINASE (49.2
KD)

(Caenorhabditis
elegans) 		PF01633
(Choline_kinase) 		5 ALA A 305
LEU A 183
GLN A 182
LYS A 179
ARG A 176
 None
 1.09A 3ix9B-1nw1A:
undetectable		 3ix9B-1nw1A:
18.37
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.
1og0 PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Saccharomyces
cerevisiae) 		PF00793
(DAHP_synth_1) 		5 ILE A  41
ALA A 141
GLN A 166
ARG A  55
VAL A 146
 None
None
PHE  A1012 (-3.4A)
None
None
 1.14A 3ix9B-1og0A:
undetectable		 3ix9B-1og0A:
19.51
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.
1qrp PEPSIN 3A

(Homo sapiens) 		PF00026
(Asp) 		5 ILE E 235
LEU E 221
GLN E 287
ARG E 307
LEU E 276
 None
None
HH0  E 327 ( 3.6A)
None
None
 1.08A 3ix9B-1qrpE:
undetectable		 3ix9B-1qrpE:
19.15
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.
1tll NITRIC-OXIDE
SYNTHASE, BRAIN

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		5 ILE A1048
ALA A1054
LEU A 971
ARG A1084
LEU A1098
 None
 1.07A 3ix9B-1tllA:
2.7		 3ix9B-1tllA:
13.17
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)
 0.52A 3ix9B-1u70A:
20.6		 3ix9B-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) 		7 ILE A   7
ALA A   9
GLU A  30
LEU A  67
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
None
MXA  A 187 (-4.3A)
MXA  A 187 (-4.3A)
 0.63A 3ix9B-1u71A:
20.7		 3ix9B-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.
1xp8 RECA PROTEIN

(Deinococcus
radiodurans) 		PF00154
(RecA) 		5 ILE A  76
GLN A  94
LEU A 273
VAL A 237
THR A  74
 None
 1.10A 3ix9B-1xp8A:
2.2		 3ix9B-1xp8A:
18.03
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
 0.66A 3ix9B-1zdrA:
25.5		 3ix9B-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.
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)
 0.62A 3ix9B-2blbA:
21.0		 3ix9B-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.
2dvm 439AA LONG
HYPOTHETICAL MALATE
OXIDOREDUCTASE

(Pyrococcus
horikoshii) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ILE A 291
ALA A 316
LEU A 295
LEU A 205
VAL A 266
 None
None
NAD  A2503 ( 4.2A)
None
None
 1.14A 3ix9B-2dvmA:
undetectable		 3ix9B-2dvmA:
18.75
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.
2hhl CTD SMALL
PHOSPHATASE-LIKE
PROTEIN

(Homo sapiens) 		PF03031
(NIF) 		6 ALA A 101
LEU A  88
LEU A  77
GLN A  78
LEU A 172
VAL A  40
 None
 1.47A 3ix9B-2hhlA:
undetectable		 3ix9B-2hhlA:
19.00
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.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 LEU A 118
LEU A 157
GLN A 158
LEU A 164
VAL A  68
THR A 183
 None
 1.22A 3ix9B-2it4A:
undetectable		 3ix9B-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.
2lui PICK1 PDZ DOMAIN
FUSED TO THE C10 DAT
LIGAND

(Rattus
norvegicus) 		PF00595
(PDZ) 		5 ILE A  99
LEU A  60
GLN A  51
LEU A  32
VAL A  97
 None
 1.19A 3ix9B-2luiA:
undetectable		 3ix9B-2luiA:
23.56
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.
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)
 0.50A 3ix9B-2oipA:
21.7		 3ix9B-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.
2pgg RNA-DIRECTED RNA
POLYMERASE

(Infectious
bursal disease
virus) 		PF04197
(Birna_RdRp) 		5 ILE A 404
LEU A 499
GLN A 503
LEU A 713
VAL A 399
 None
 1.10A 3ix9B-2pggA:
undetectable		 3ix9B-2pggA:
13.08
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
GLU A  28
LEU A  29
GLN A  30
ARG A  53
LEU A  55
ARG A  58
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 3.5A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.4A)
 0.73A 3ix9B-2qk8A:
26.0		 3ix9B-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
GLU A  28
LEU A  29
GLN A  30
LYS A  33
LEU A  55
ARG A  58
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.4A)
 0.53A 3ix9B-2qk8A:
26.0		 3ix9B-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
ARG A  53
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 ( 3.5A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.4A)
 0.82A 3ix9B-2qk8A:
26.0		 3ix9B-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)
 0.77A 3ix9B-2qk8A:
26.0		 3ix9B-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
 1.16A 3ix9B-2r3sA:
2.1		 3ix9B-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.
2sfa SERINE PROTEINASE

(Streptomyces
fradiae) 		PF00089
(Trypsin) 		5 ILE A  91
ALA A  94
LEU A 183
LEU A 160
LEU A  17
 None
 1.17A 3ix9B-2sfaA:
undetectable		 3ix9B-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) 		5 ALA A  11
LEU A  32
LEU A  61
ARG A  64
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-4.7A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.7A)
 0.85A 3ix9B-2w3wA:
22.5		 3ix9B-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)
 0.58A 3ix9B-2w9sA:
25.2		 3ix9B-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)
 0.54A 3ix9B-2w9sA:
25.2		 3ix9B-2w9sA:
34.71
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.
3ctv 3-HYDROXYACYL-COA
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00725
(3HCDH) 		5 GLN A  63
LYS A  62
LEU A 100
VAL A  30
THR A  22
 None
 1.09A 3ix9B-3ctvA:
undetectable		 3ix9B-3ctvA:
18.42
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) 		6 ALA A   6
LEU A  19
LEU A  27
LEU A  54
ARG A  57
THR A 116
 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)
 0.40A 3ix9B-3dfrA:
25.8		 3ix9B-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)
 0.79A 3ix9B-3dg8A:
20.8		 3ix9B-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.
3ezj GENERAL SECRETION
PATHWAY PROTEIN GSPD

(Escherichia
coli) 		PF03958
(Secretin_N) 		5 ALA A   7
GLN A  54
LEU A  60
VAL A  39
THR A  43
 None
 1.02A 3ix9B-3ezjA:
undetectable		 3ix9B-3ezjA:
21.37
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.
3gnl UNCHARACTERIZED
PROTEIN, DUF633,
LMOF2365_1472

(Listeria
monocytogenes) 		PF04816
(TrmK) 		5 ILE A  29
ALA A  20
LEU A  12
GLN A  47
LEU A  74
 None
 0.98A 3ix9B-3gnlA:
2.9		 3ix9B-3gnlA:
23.74
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.
3h5j 3-ISOPROPYLMALATE
DEHYDRATASE SMALL
SUBUNIT

(Mycobacterium
tuberculosis) 		PF00694
(Aconitase_C) 		5 ALA A 146
LEU A 151
LEU A 122
ARG A  15
VAL A  66
 None
 1.18A 3ix9B-3h5jA:
undetectable		 3ix9B-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.
3hwk METHYLCITRATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00285
(Citrate_synt) 		5 ILE A 168
ALA A 156
LEU A 181
GLN A 178
ARG A 305
 None
 1.18A 3ix9B-3hwkA:
undetectable		 3ix9B-3hwkA:
18.20
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.
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)
 0.63A 3ix9B-3i8aX:
25.3		 3ix9B-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) 		5 ALA X   7
LYS X  32
LEU X  54
ARG X  57
THR X 111
 N22  X 219 ( 3.6A)
None
None
None
N22  X 219 (-4.4A)
 0.66A 3ix9B-3i8aX:
25.3		 3ix9B-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) 		8 ILE A   6
ALA A   8
GLU A  28
GLN A  30
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 (-4.3A)
MTX  A 164 (-3.2A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.3A)
 0.77A 3ix9B-3ia4A:
25.3		 3ix9B-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) 		7 ILE A   6
ALA A   8
GLU A  28
LEU A  29
ARG A  53
LEU A  55
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 (-3.8A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-4.3A)
 0.74A 3ix9B-3ia4A:
25.3		 3ix9B-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)
 0.50A 3ix9B-3ia4A:
25.3		 3ix9B-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.
3jd5 28S RIBOSOMAL
PROTEIN S2,
MITOCHONDRIAL

(Bos taurus) 		PF00318
(Ribosomal_S2) 		5 ALA B 117
LEU B 241
GLN B 243
VAL B 211
THR B 121
 None
 1.19A 3ix9B-3jd5B:
undetectable		 3ix9B-3jd5B:
22.37
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.
3jx9 PUTATIVE
PHOSPHOHEPTOSE
ISOMERASE

(Exiguobacterium
sibiricum) 		PF10740
(DUF2529) 		5 ILE A  68
ALA A  44
LEU A  92
ARG A 120
VAL A  80
 None
 1.08A 3ix9B-3jx9A:
undetectable		 3ix9B-3jx9A:
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.
3k94 THIAMIN
PYROPHOSPHOKINASE

(Geobacillus
thermodenitrificans) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		5 ILE A 203
LEU A 133
LEU A 116
LYS A 118
VAL A 157
 None
 1.19A 3ix9B-3k94A:
undetectable		 3ix9B-3k94A:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kfv TIGHT JUNCTION
PROTEIN ZO-3

(Homo sapiens) 		PF00625
(Guanylate_kin)
PF07653
(SH3_2) 		5 ILE A 708
ALA A 755
LYS A 771
LEU A 649
VAL A 635
 None
 1.18A 3ix9B-3kfvA:
2.8		 3ix9B-3kfvA:
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.
3kwp PREDICTED
METHYLTRANSFERASE

(Lactobacillus
brevis) 		PF00590
(TP_methylase) 		5 ILE A 111
ALA A 113
LEU A  82
LEU A 106
LEU A  17
 None
 1.16A 3ix9B-3kwpA:
5.5		 3ix9B-3kwpA:
22.04
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.
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
 1.13A 3ix9B-3lcrA:
undetectable		 3ix9B-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.
3ljp CHOLINE OXIDASE

(Arthrobacter
globiformis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A 280
GLN A 234
LEU A 289
VAL A 303
THR A 269
 None
None
None
None
FDA  A 547 (-4.1A)
 1.14A 3ix9B-3ljpA:
undetectable		 3ix9B-3ljpA:
14.83
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.
3na8 PUTATIVE
DIHYDRODIPICOLINATE
SYNTHETASE

(Pseudomonas
aeruginosa) 		PF00701
(DHDPS) 		5 LEU A 155
GLU A 186
LEU A 197
ARG A 176
THR A 188
 None
 1.05A 3ix9B-3na8A:
undetectable		 3ix9B-3na8A:
22.47
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.
3ogk CORONATINE-INSENSITI
VE PROTEIN 1

(Arabidopsis
thaliana) 		no annotation 5 ILE B 568
ALA B 570
GLN B 534
LEU B 480
VAL B 520
 None
 0.99A 3ix9B-3ogkB:
undetectable		 3ix9B-3ogkB:
14.07
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.
3ogk CORONATINE-INSENSITI
VE PROTEIN 1

(Arabidopsis
thaliana) 		no annotation 5 ILE B 568
ALA B 570
LEU B 515
GLN B 534
VAL B 520
 None
 1.01A 3ix9B-3ogkB:
undetectable		 3ix9B-3ogkB:
14.07
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.
3ohm 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
 1.13A 3ix9B-3ohmB:
undetectable		 3ix9B-3ohmB:
12.94
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.
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
 1.08A 3ix9B-3ojbA:
undetectable		 3ix9B-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.
3oss TYPE 2 SECRETION
SYSTEM, SECRETIN
GSPD

(Escherichia
coli) 		PF03958
(Secretin_N) 		6 ILE D  41
ALA D   7
GLN D  54
LEU D  60
VAL D  39
THR D  43
 None
 1.25A 3ix9B-3ossD:
undetectable		 3ix9B-3ossD:
22.66
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.
3pjx CYCLIC DIMERIC GMP
BINDING PROTEIN

(Pseudomonas
fluorescens) 		PF00563
(EAL)
PF00990
(GGDEF) 		5 ILE A 603
GLU A 534
LEU A 559
GLN A 560
LYS A 581
 None
 1.08A 3ix9B-3pjxA:
undetectable		 3ix9B-3pjxA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sr2 NON-HOMOLOGOUS
END-JOINING FACTOR 1

(Homo sapiens) 		PF09302
(XLF) 		5 LEU C 104
GLU C  47
LEU C  36
LEU C  80
VAL C 108
 None
 1.06A 3ix9B-3sr2C:
undetectable		 3ix9B-3sr2C:
20.35
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)
 0.56A 3ix9B-3tq9A:
24.4		 3ix9B-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.
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)
 0.70A 3ix9B-3um6A:
20.8		 3ix9B-3um6A:
14.05
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.
3zpm LATHERIN

(Equus caballus) 		PF01273
(LBP_BPI_CETP) 		5 ILE A  86
LEU A  90
LEU A  19
GLN A  17
VAL A 114
 None
 1.19A 3ix9B-3zpmA:
undetectable		 3ix9B-3zpmA:
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.
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
 1.06A 3ix9B-4ad8A:
undetectable		 3ix9B-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.
4b5x 4-HYDROXY-2-OXO-HEPT
ANE-1,7-DIOATE
ALDOLASE

(Escherichia
coli) 		PF03328
(HpcH_HpaI) 		5 ILE A  41
ALA A  28
GLN A  66
ARG A 127
VAL A  53
 None
 1.17A 3ix9B-4b5xA:
undetectable		 3ix9B-4b5xA:
19.47
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.
4bps FKBO

(Streptomyces
hygroscopicus) 		no annotation 5 ILE A 330
ALA A 244
ARG A 310
LEU A 306
THR A 180
 None
3EB  A1345 (-3.6A)
None
None
None
 1.18A 3ix9B-4bpsA:
undetectable		 3ix9B-4bpsA:
16.76
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.
4fix UDP-GALACTOFURANOSYL
TRANSFERASE GLFT2

(Mycobacterium
tuberculosis) 		PF13641
(Glyco_tranf_2_3) 		5 ILE A 162
LEU A 261
LEU A 218
ARG A 221
VAL A 164
 None
 1.13A 3ix9B-4fixA:
undetectable		 3ix9B-4fixA:
15.41
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.
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 3ix9B-4g8zX:
20.0		 3ix9B-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.
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)
 0.77A 3ix9B-4h96A:
18.3		 3ix9B-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)
 0.65A 3ix9B-4h98A:
19.8		 3ix9B-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
 1.12A 3ix9B-4i4nA:
undetectable		 3ix9B-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.
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
 1.17A 3ix9B-4k29A:
undetectable		 3ix9B-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) 		5 ILE A   5
ALA A   7
LEU A  57
ARG A  60
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
None
None
TMQ  A 202 (-4.2A)
 0.53A 3ix9B-4m2xA:
21.3		 3ix9B-4m2xA:
31.84
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.
4m69 MIXED LINEAGE KINASE
DOMAIN-LIKE PROTEIN

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		5 ILE B 362
GLU B 418
ARG B 295
LEU B 284
ARG B 281
 None
 1.16A 3ix9B-4m69B:
undetectable		 3ix9B-4m69B:
21.75
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) 		7 ILE A   5
ALA A   7
LEU A  20
LEU A  28
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 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.53A 3ix9B-4m7vA:
26.9		 3ix9B-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.
4o01 BACTERIOPHYTOCHROME

(Deinococcus
radiodurans) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		5 ILE A 287
LEU A 311
GLN A 315
VAL A 275
THR A 163
 None
 1.10A 3ix9B-4o01A:
undetectable		 3ix9B-4o01A:
15.25
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)
 0.52A 3ix9B-4p68A:
24.7		 3ix9B-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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		5 LEU A 747
LEU A 688
GLN A 689
LEU A 755
THR A 679
 None
 1.17A 3ix9B-4q2cA:
undetectable		 3ix9B-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.
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
 1.11A 3ix9B-4qj4B:
undetectable		 3ix9B-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.
4r7y MINICHROMOSOME
MAINTENANCE PROTEIN
MCM, CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus;
Sulfolobus
solfataricus) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 ALA A1281
LEU A1871
LEU A1272
LYS A1274
LEU A1940
 None
 1.14A 3ix9B-4r7yA:
undetectable		 3ix9B-4r7yA:
14.49
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.
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
 0.98A 3ix9B-4tm5A:
undetectable		 3ix9B-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.
4tz5 PUTATIVE SECRETED
PROTEIN

(Streptomyces
sp. SirexAA-E) 		no annotation 5 ALA A 122
LEU A 124
GLU A 157
LEU A 330
VAL A  68
 None
 1.17A 3ix9B-4tz5A:
undetectable		 3ix9B-4tz5A:
15.69
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.
4wgx MOLINATE HYDROLASE

(Gulosibacter
molinativorax) 		PF01979
(Amidohydro_1) 		5 ALA A 261
LEU A 258
LEU A 288
GLN A 292
LEU A 337
 None
 1.17A 3ix9B-4wgxA:
undetectable		 3ix9B-4wgxA:
17.58
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.
4xq7 2'-5'-OLIGOADENYLATE
SYNTHASE-LIKE
PROTEIN

(Homo sapiens) 		PF10421
(OAS1_C) 		5 ILE A 153
LEU A 123
GLN A  46
ARG A 143
VAL A 151
 None
 1.15A 3ix9B-4xq7A:
undetectable		 3ix9B-4xq7A:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yj5 PYRUVATE KINASE PKM

(Homo sapiens) 		PF00224
(PK)
PF02887
(PK_C) 		5 ILE A 164
LEU A 157
LEU A 183
GLN A 184
LYS A 173
 None
 1.14A 3ix9B-4yj5A:
undetectable		 3ix9B-4yj5A:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		5 ILE A 257
GLN A 280
LEU A 410
VAL A 254
THR A 318
 None
 1.15A 3ix9B-5aq1A:
2.0		 3ix9B-5aq1A:
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.
5bz4 BETA-KETOTHIOLASE

(Mycolicibacterium
smegmatis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A  72
LEU A  36
LEU A  55
GLN A  85
VAL A 112
 None
 1.19A 3ix9B-5bz4A:
undetectable		 3ix9B-5bz4A:
19.06
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.
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)
 0.57A 3ix9B-5dxvA:
14.4		 3ix9B-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)
 0.98A 3ix9B-5dxvA:
14.4		 3ix9B-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.
5gn5 GLYCEROL KINASE

(Trypanosoma
brucei) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ILE A 252
ALA A 258
LEU A 281
GLN A  83
THR A 450
 None
 1.17A 3ix9B-5gn5A:
undetectable		 3ix9B-5gn5A:
18.55
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.
5ko1 MIXED LINEAGE KINASE
DOMAIN-LIKE PROTEIN

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ILE A 400
LEU A 433
GLN A 413
LEU A 295
ARG A 292
 None
 1.07A 3ix9B-5ko1A:
undetectable		 3ix9B-5ko1A:
18.77
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.
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
 1.17A 3ix9B-5sgaE:
undetectable		 3ix9B-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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
LEU A  23
LEU A  94
ARG A  97
VAL A 151
THR A 172
 73X  A 704 (-4.0A)
None
None
None
73X  A 704 ( 3.8A)
73X  A 704 (-4.2A)
 0.64A 3ix9B-5t0lA:
20.4		 3ix9B-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.
5t81 EPOB

(Sorangium
cellulosum) 		PF00668
(Condensation) 		5 ILE A 145
ALA A 143
LEU A 125
LEU A 430
VAL A 184
 None
 1.05A 3ix9B-5t81A:
undetectable		 3ix9B-5t81A:
17.46
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.
5usf TYROSYL-TRNA
SYNTHETASE, PUTATIVE

(Leishmania
donovani) 		PF00579
(tRNA-synt_1b) 		5 ILE A 499
ALA A 495
LEU A 492
LEU A 481
GLN A 160
 None
 1.10A 3ix9B-5usfA:
undetectable		 3ix9B-5usfA:
13.86
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.
5y8p PROBABLE
3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		no annotation 5 ILE A   4
ALA A  58
LEU A   7
LEU A   9
VAL A  27
 None
None
None
None
GOL  A 301 (-4.0A)
 1.06A 3ix9B-5y8pA:
undetectable		 3ix9B-5y8pA:
20.11
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.
5yim SDEA

(Legionella
pneumophila) 		no annotation 5 ILE A 292
ALA A 437
LEU A 306
VAL A 293
THR A 438
 None
 1.07A 3ix9B-5yimA:
undetectable		 3ix9B-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.
5zya SPLICING FACTOR 3B
SUBUNIT 1

(Homo sapiens) 		no annotation 5 ILE C 667
ALA C 636
LEU C 645
LYS C 649
VAL C 668
 None
 1.11A 3ix9B-5zyaC:
undetectable		 3ix9B-5zyaC:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c66 UNCHARACTERIZED
PROTEIN

(Thermobifida
fusca) 		no annotation 5 ILE I 164
LEU I 195
GLN I 215
ARG I 201
VAL I 172
 None
 1.17A 3ix9B-6c66I:
undetectable		 3ix9B-6c66I:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ILE A   6
ALA A   8
LEU A  29
LEU A  58
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
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)
 1.00A 3ix9B-6cxmA:
20.5		 3ix9B-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 6 ILE A   6
ALA A   8
LYS A  33
LEU A  58
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
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)
 0.54A 3ix9B-6cxmA:
20.5		 3ix9B-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)
 0.51A 3ix9B-6e4eA:
25.2		 3ix9B-6e4eA:
undetectable