SIMILAR PATTERNS OF AMINO ACIDS FOR 4KYA_G_FOLG703

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		7 VAL A   6
ALA A   8
ASP A  27
THR A  47
LEU A  55
ARG A  58
THR A 121
 None
None
None
SO4  A 200 (-3.7A)
None
None
None
 0.41A 4kyaG-1cz3A:
17.7		 4kyaG-1cz3A:
16.82
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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		6 ALA A   9
THR A  56
LEU A  67
ARG A  70
VAL A 115
THR A 136
 HBI  A 198 ( 3.6A)
NAP  A 191 (-3.5A)
None
None
HBI  A 198 ( 4.3A)
HBI  A 198 ( 4.5A)
 0.33A 4kyaG-1dr6A:
24.7		 4kyaG-1dr6A:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jqk CARBON MONOXIDE
DEHYDROGENASE

(Rhodospirillum
rubrum) 		PF03063
(Prismane) 		5 ALA A 571
ASP A 223
SER A 535
THR A 583
VAL A 449
 None
 1.42A 4kyaG-1jqkA:
undetectable		 4kyaG-1jqkA:
22.55
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 VAL A   5
ASP A  36
THR A  55
LEU A  63
ARG A  66
 None
None
NDP  A 194 (-3.3A)
None
None
 0.83A 4kyaG-1juvA:
15.6		 4kyaG-1juvA:
15.99
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.
1mjh PROTEIN (ATP-BINDING
DOMAIN OF PROTEIN
MJ0577)

(Methanocaldococcus
jannaschii) 		PF00582
(Usp) 		5 ALA A  18
ASP A  13
SER A 141
LEU A 139
VAL A 156
 ATP  A2001 ( 3.7A)
ATP  A2001 (-3.4A)
ATP  A2001 (-2.6A)
None
None
 1.35A 4kyaG-1mjhA:
3.2		 4kyaG-1mjhA:
16.05
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.
1qi7 PROTEIN
(N-GLYCOSIDASE)

(Saponaria
officinalis) 		PF00161
(RIP) 		5 VAL A  73
ALA A 175
SER A  63
LEU A 102
VAL A  74
 None
 1.40A 4kyaG-1qi7A:
undetectable		 4kyaG-1qi7A:
20.72
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.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		6 ALA A   9
THR A  56
LEU A  67
ARG A  70
VAL A 115
THR A 136
 NDP  A 188 (-3.6A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
MTX  A 187 ( 4.0A)
MTX  A 187 (-4.4A)
 0.31A 4kyaG-1u70A:
23.9		 4kyaG-1u70A:
15.52
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		6 ALA A   9
THR A  56
LEU A  67
ARG A  70
VAL A 115
THR A 136
 MXA  A 187 (-3.6A)
SO4  A 188 (-3.5A)
None
None
MXA  A 187 (-4.3A)
MXA  A 187 (-4.3A)
 0.30A 4kyaG-1u71A:
24.7		 4kyaG-1u71A:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xeu INTERNALIN C

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		5 ASP A 190
THR A 283
PHE A 287
LEU A 202
VAL A 208
 None
 1.40A 4kyaG-1xeuA:
undetectable		 4kyaG-1xeuA:
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.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
THR A  46
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.49A 4kyaG-1zdrA:
20.1		 4kyaG-1zdrA:
14.94
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ALA A  15
ASP A  53
SER A  58
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.34A 4kyaG-2blbA:
23.1		 4kyaG-2blbA:
18.54
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		5 ALA A 245
MET A 233
LEU A 278
VAL A 385
THR A 246
 None
 1.41A 4kyaG-2g28A:
undetectable		 4kyaG-2g28A:
19.42
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.
2gfp MULTIDRUG RESISTANCE
PROTEIN D

(Escherichia
coli) 		PF07690
(MFS_1) 		5 ALA A 173
MET A  84
PHE A  83
VAL A  19
THR A 176
 None
 1.42A 4kyaG-2gfpA:
undetectable		 4kyaG-2gfpA:
19.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 VAL A  26
ALA A  28
ASP A  48
THR A  80
LEU A  91
ARG A  94
THR A 178
 None
NAP  A 523 (-3.7A)
None
NAP  A 523 (-3.5A)
None
None
None
 0.43A 4kyaG-2h2qA:
40.8		 4kyaG-2h2qA:
44.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 VAL A  26
ALA A  28
THR A  80
PHE A  88
LEU A  91
ARG A  94
THR A 178
 None
NAP  A 523 (-3.7A)
NAP  A 523 (-3.5A)
None
None
None
None
 0.64A 4kyaG-2h2qA:
40.8		 4kyaG-2h2qA:
44.80
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.
2i0k OXIDOREDUCTASE

(Brevibacterium
sterolicum) 		PF01565
(FAD_binding_4)
PF09129
(Chol_subst-bind) 		5 VAL A 232
ALA A 240
SER A 265
LEU A 146
VAL A 100
 None
 1.43A 4kyaG-2i0kA:
undetectable		 4kyaG-2i0kA:
21.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 VAL A   9
ALA A  11
ASP A  32
SER A  37
THR A  58
LEU A  67
ARG A  70
THR A 134
 MTX  A 605 ( 4.0A)
MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 2.9A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
MTX  A 605 ( 4.2A)
 0.50A 4kyaG-2oipA:
44.1		 4kyaG-2oipA:
44.56
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.
2pfm ADENYLOSUCCINATE
LYASE

(Bacillus
anthracis) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 VAL A 253
THR A 136
LEU A 156
VAL A 338
THR A 250
 None
 1.24A 4kyaG-2pfmA:
undetectable		 4kyaG-2pfmA:
22.43
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.
2v9i RHAMNULOSE-1-PHOSPHA
TE ALDOLASE

(Escherichia
coli) 		PF00596
(Aldolase_II) 		5 ALA A  88
THR A  17
MET A  13
PHE A   9
THR A 109
 None
 1.30A 4kyaG-2v9iA:
undetectable		 4kyaG-2v9iA:
19.79
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.
2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE

(Lactococcus
lactis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 VAL A 160
SER A 151
LEU A  15
VAL A  94
THR A 135
 VAL  A 160 ( 0.6A)
SER  A 151 ( 0.0A)
LEU  A  15 ( 0.6A)
VAL  A  94 ( 0.6A)
THR  A 135 ( 0.8A)
 1.26A 4kyaG-2vbfA:
2.0		 4kyaG-2vbfA:
21.70
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 VAL A   9
ALA A  11
ASP A  31
THR A  50
ARG A  64
THR A 121
 VG9  A1168 (-4.2A)
VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.7A)
 0.61A 4kyaG-2w3wA:
21.0		 4kyaG-2w3wA:
16.70
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 VAL A   9
ALA A  11
ASP A  31
THR A  50
LEU A  61
THR A 121
 VG9  A1168 (-4.2A)
VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.7A)
 0.37A 4kyaG-2w3wA:
21.0		 4kyaG-2w3wA:
16.70
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.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
THR A  46
LEU A  40
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
None
TOP  A1160 ( 4.5A)
 0.96A 4kyaG-2w9sA:
20.5		 4kyaG-2w9sA:
15.63
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.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
THR A  46
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
None
None
TOP  A1160 ( 4.5A)
 0.58A 4kyaG-2w9sA:
20.5		 4kyaG-2w9sA:
15.63
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.
3a5i FLAGELLAR
BIOSYNTHESIS PROTEIN
FLHA

(Salmonella
enterica) 		PF00771
(FHIPEP) 		5 VAL A 350
ALA A 352
ASP A 356
VAL A 349
THR A 353
 None
 1.30A 4kyaG-3a5iA:
undetectable		 4kyaG-3a5iA:
21.76
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.
3cwv DNA GYRASE, B
SUBUNIT, TRUNCATED

(Myxococcus
xanthus) 		PF00204
(DNA_gyraseB) 		5 VAL A 152
ALA A  74
LEU A 105
VAL A 113
THR A  73
 None
 1.38A 4kyaG-3cwvA:
undetectable		 4kyaG-3cwvA:
22.45
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.
3daq DIHYDRODIPICOLINATE
SYNTHASE

(Staphylococcus
aureus) 		PF00701
(DHDPS) 		5 VAL A  75
ALA A  40
PHE A 262
LEU A  26
VAL A  43
 None
 1.27A 4kyaG-3daqA:
undetectable		 4kyaG-3daqA:
18.91
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
ASP A  26
THR A  45
LEU A  54
ARG A  57
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.60A 4kyaG-3dfrA:
21.3		 4kyaG-3dfrA:
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ALA A  16
ASP A  54
PHE A 116
LEU A 119
ARG A 122
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
None
RJ6  A 609 (-4.4A)
None
RJ6  A 609 ( 4.5A)
 0.46A 4kyaG-3dg8A:
23.5		 4kyaG-3dg8A:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3el6 ERYTHROMYCIN
DEHYDRATASE

(Saccharopolyspora
erythraea) 		PF14765
(PS-DH) 		5 VAL A  52
SER A  34
LEU A  14
VAL A  56
THR A  50
 None
 1.32A 4kyaG-3el6A:
undetectable		 4kyaG-3el6A:
19.20
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.
3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 VAL A 276
ALA A 153
ASP A 190
SER A 256
VAL A 261
 None
 1.37A 4kyaG-3g5iA:
2.2		 4kyaG-3g5iA:
20.21
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.
3g7j GLUTATHIONE
TRANSFERASE GST1-4

(Anopheles dirus) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		5 VAL A  22
ALA A  79
PHE A  61
LEU A  55
VAL A  24
 None
 0.91A 4kyaG-3g7jA:
undetectable		 4kyaG-3g7jA:
17.07
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
ASP X  27
THR X  46
LEU X  54
ARG X  57
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
NDP  X 207 (-3.2A)
None
None
N22  X 219 (-4.4A)
 0.67A 4kyaG-3i8aX:
20.7		 4kyaG-3i8aX:
15.33
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.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		5 ALA A   8
THR A  47
LEU A  55
ARG A  58
THR A 115
 MTX  A 164 ( 3.7A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.3A)
 0.44A 4kyaG-3ia4A:
20.6		 4kyaG-3ia4A:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3itd 17BETA-HYDROXYSTEROI
D DEHYDROGENASE

(Curvularia
lunata) 		PF13561
(adh_short_C2) 		5 VAL A  34
ALA A  32
SER A 102
THR A 200
VAL A 243
 None
 1.07A 4kyaG-3itdA:
2.2		 4kyaG-3itdA:
19.33
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.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		7 ALA A  10
THR A  49
MET A  53
LEU A  58
ARG A  61
VAL A 100
THR A 119
 MTX  A 200 (-3.8A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.77A 4kyaG-3ix9A:
20.5		 4kyaG-3ix9A:
15.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ASP A  37
THR A  69
LEU A  80
ARG A  83
THR A 144
 NAP  A 512 (-3.7A)
None
NAP  A 512 (-3.6A)
None
None
None
 0.44A 4kyaG-3kjrA:
45.7		 4kyaG-3kjrA:
42.73
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.
3l0i DRRA

(Legionella
pneumophila) 		PF14860
(DrrA_P4M) 		5 ALA A 419
ASP A 415
SER A 465
LEU A 504
VAL A 518
 None
 1.21A 4kyaG-3l0iA:
undetectable		 4kyaG-3l0iA:
19.69
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.
3pv2 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 VAL A 142
ALA A 144
SER A 133
LEU A 168
VAL A 165
 None
 1.38A 4kyaG-3pv2A:
undetectable		 4kyaG-3pv2A:
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.
3q2i DEHYDROGENASE

(Chromobacterium
violaceum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 VAL A 226
ALA A 339
LEU A 347
VAL A 207
THR A 211
 None
NA  A 353 ( 4.1A)
None
None
NA  A 353 (-3.6A)
 1.28A 4kyaG-3q2iA:
2.4		 4kyaG-3q2iA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		7 VAL A  32
ALA A  34
ASP A  54
THR A  86
LEU A  97
ARG A 100
THR A 184
 WRA  A 602 (-4.3A)
WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
NDP  A 601 ( 3.2A)
None
None
WRA  A 602 (-4.2A)
 0.47A 4kyaG-3rg9A:
24.4		 4kyaG-3rg9A:
19.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 VAL A  32
THR A  86
PHE A  94
LEU A  97
ARG A 100
 WRA  A 602 (-4.3A)
NDP  A 601 ( 3.2A)
WRA  A 602 (-3.9A)
None
None
 0.82A 4kyaG-3rg9A:
24.4		 4kyaG-3rg9A:
19.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tgl TRIACYL-GLYCEROL
ACYLHYDROLASE

(Rhizomucor
miehei) 		PF01764
(Lipase_3) 		5 ALA A 183
ASP A 181
PHE A 111
LEU A 151
VAL A 188
 None
 1.39A 4kyaG-3tglA:
undetectable		 4kyaG-3tglA:
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		6 ALA A   8
ASP A  28
THR A  47
LEU A  55
ARG A  58
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
NDP  A1001 (-3.1A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 (-4.3A)
 0.43A 4kyaG-3tq9A:
21.1		 4kyaG-3tq9A:
17.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ASP A  54
THR A 108
PHE A 116
LEU A 119
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.55A 4kyaG-3um6A:
42.0		 4kyaG-3um6A:
41.63
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.
3va9 SENSOR HISTIDINE
KINASE

(Rhodopseudomonas
palustris) 		PF05227
(CHASE3) 		5 ALA A  91
SER A  57
THR A 120
LEU A 161
VAL A  63
 None
 1.43A 4kyaG-3va9A:
undetectable		 4kyaG-3va9A:
15.99
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 VAL A   6
ALA A   8
ASP A  28
THR A  53
LEU A  64
ARG A  67
THR A 133
 None
None
None
SO4  A 201 (-3.7A)
None
None
None
 0.53A 4kyaG-3vcoA:
21.8		 4kyaG-3vcoA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		6 VAL A   6
ALA A   8
THR A  53
PHE A  61
LEU A  64
ARG A  67
 None
None
SO4  A 201 (-3.7A)
None
None
None
 0.69A 4kyaG-3vcoA:
21.8		 4kyaG-3vcoA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vtr N-ACETYLGLUCOSAMINID
ASE

(Ostrinia
furnacalis) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		5 VAL A 155
SER A 183
MET A  57
LEU A  65
VAL A 201
 None
 1.25A 4kyaG-3vtrA:
undetectable		 4kyaG-3vtrA:
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		5 ALA X  12
SER X  37
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
None
None
TOP  X 301 (-4.5A)
 0.67A 4kyaG-4g8zX:
23.5		 4kyaG-4g8zX:
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		5 ALA X  12
THR X  61
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
None
None
TOP  X 301 (-4.5A)
 0.29A 4kyaG-4g8zX:
23.5		 4kyaG-4g8zX:
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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		5 ALA A  11
THR A  58
LEU A  69
ARG A  72
THR A 133
 14Q  A 202 ( 3.7A)
NDP  A 201 (-3.7A)
None
None
14Q  A 202 ( 4.6A)
 0.58A 4kyaG-4h96A:
19.7		 4kyaG-4h96A:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		5 ALA A  11
THR A  58
LEU A  69
ARG A  72
THR A 140
 14Q  A 302 ( 3.4A)
NDP  A 301 (-3.5A)
None
None
14Q  A 302 (-4.2A)
 0.34A 4kyaG-4h98A:
20.8		 4kyaG-4h98A:
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.
4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1

(Thermus
thermophilus) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 VAL A 352
ALA A 355
SER A 334
THR A 113
LEU A  70
 None
 1.44A 4kyaG-4j16A:
undetectable		 4kyaG-4j16A:
23.14
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.
4jy6 PGT123 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL B 109
ALA B  85
LEU B  20
VAL B 107
THR B  83
 None
 1.30A 4kyaG-4jy6B:
undetectable		 4kyaG-4jy6B:
18.52
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
THR A  46
LEU A  57
ARG A  60
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
NDP  A 201 (-3.4A)
None
None
TMQ  A 202 (-4.2A)
 0.44A 4kyaG-4m2xA:
20.1		 4kyaG-4m2xA:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 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 ALA A   7
ASP A  27
MET A  50
LEU A  55
ARG A  58
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-4.0A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.84A 4kyaG-4m7vA:
19.9		 4kyaG-4m7vA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
THR A  46
LEU A  40
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
NAP  A 201 (-3.0A)
None
RAR  A 200 (-4.4A)
 0.82A 4kyaG-4m7vA:
19.9		 4kyaG-4m7vA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
THR A  46
MET A  50
LEU A  55
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.0A)
RAR  A 200 (-4.2A)
RAR  A 200 (-4.4A)
 0.78A 4kyaG-4m7vA:
19.9		 4kyaG-4m7vA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mco TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Rhodoferax
ferrireducens) 		PF03480
(DctP) 		5 VAL A 227
ALA A 203
THR A 214
ARG A 223
THR A 206
 EPE  A 403 (-4.6A)
None
MLI  A 401 (-3.8A)
None
None
 1.43A 4kyaG-4mcoA:
undetectable		 4kyaG-4mcoA:
20.21
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.
4nq8 PUTATIVE PERIPLASMIC
SUBSTRATE-BINDING
TRANSPORT PROTEIN

(Bordetella
bronchiseptica) 		PF03480
(DctP) 		5 ALA A 116
SER A 319
MET A 128
LEU A 316
VAL A 103
 None
 1.39A 4kyaG-4nq8A:
undetectable		 4kyaG-4nq8A:
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.
4p4s INTERFERON-INDUCED
GTP-BINDING PROTEIN
MX1

(Homo sapiens) 		PF00350
(Dynamin_N)
PF01031
(Dynamin_M) 		5 VAL A 216
ALA A 228
SER A  80
VAL A  75
THR A 226
 None
None
GCP  A 401 (-4.4A)
None
None
 1.35A 4kyaG-4p4sA:
undetectable		 4kyaG-4p4sA:
16.78
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.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
THR A  46
ARG A  57
THR A 113
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
NAP  A 202 (-3.2A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.5A)
 0.35A 4kyaG-4p68A:
21.4		 4kyaG-4p68A:
13.60
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.
4pj3 INTRON-BINDING
PROTEIN AQUARIUS

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12)
PF16399
(Aquarius_N) 		5 VAL A1128
ALA A 700
PHE A1073
LEU A1119
ARG A1122
 None
 1.12A 4kyaG-4pj3A:
undetectable		 4kyaG-4pj3A:
16.93
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.
4qrj PUTATIVE
6-PHOSPHOGLUCONOLACT
ONASE

(Bacteroides
uniformis) 		PF10282
(Lactonase) 		5 VAL A  83
ALA A  91
THR A  38
ARG A 318
THR A 113
 None
 1.35A 4kyaG-4qrjA:
undetectable		 4kyaG-4qrjA:
19.86
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.
4uid SURFACE LAYER
PROTEIN

(Geobacillus
stearothermophilus) 		PF02368
(Big_2) 		5 VAL A 524
ALA A 519
ASP A 521
PHE A 489
LEU A 452
 None
 1.44A 4kyaG-4uidA:
undetectable		 4kyaG-4uidA:
18.27
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.
4wct FRUCTOSYL
AMINE:OXYGEN
OXIDOREDUCTASE

(Aspergillus
fumigatus) 		PF01266
(DAO) 		5 VAL A  14
ALA A 222
SER A  23
THR A 185
VAL A  38
 None
FAD  A 500 (-3.7A)
None
None
None
 1.23A 4kyaG-4wctA:
undetectable		 4kyaG-4wctA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xeq TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Desulfovibrio
vulgaris) 		PF03480
(DctP) 		5 ALA A 128
ASP A 129
THR A 103
LEU A 141
ARG A 138
 None
 1.34A 4kyaG-4xeqA:
undetectable		 4kyaG-4xeqA:
20.88
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.
4z0v 2',5'-PHOSPHODIESTER
ASE 12

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 ALA A 304
ASP A 353
SER A 360
PHE A 385
LEU A 339
 None
 1.42A 4kyaG-4z0vA:
undetectable		 4kyaG-4z0vA:
22.17
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.
5alc ANTI-TICAGRELOR FAB
72, HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 109
ALA H   9
SER H  17
THR H 116
THR H 107
 None
 1.36A 4kyaG-5alcH:
undetectable		 4kyaG-5alcH:
18.05
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.
5b7s CYSTEINE DESULFURASE

(Thermococcus
onnurineus) 		PF00266
(Aminotran_5) 		5 ALA A 159
ASP A 117
SER A 164
VAL A 173
THR A 109
 None
 1.39A 4kyaG-5b7sA:
undetectable		 4kyaG-5b7sA:
22.13
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.
5ce7 CTD KINASE SUBUNIT
GAMMA

(Schizosaccharomyces
pombe) 		PF12243
(CTK3) 		5 VAL A  95
ALA A 101
THR A 133
LEU A 113
VAL A  92
 None
 1.41A 4kyaG-5ce7A:
undetectable		 4kyaG-5ce7A:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		5 VAL A 100
ALA A  81
SER A 183
LEU A 261
VAL A 110
 None
 1.42A 4kyaG-5dkxA:
undetectable		 4kyaG-5dkxA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		5 ALA A   7
THR A  63
LEU A  71
ARG A  74
THR A 130
 NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
None
None
CME  A 140 ( 4.5A)
 0.41A 4kyaG-5dxvA:
4.3		 4kyaG-5dxvA:
13.85
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.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		5 ALA A   8
THR A  47
LEU A  55
ARG A  58
THR A 114
 None
 1.17A 4kyaG-5fdaA:
14.7		 4kyaG-5fdaA:
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.
5fl7 ATP SYNTHASE SUBUNIT
BETA

(Yarrowia
lipolytica) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 VAL D 401
ASP D 477
SER D 471
PHE D 488
VAL D 405
 None
 1.34A 4kyaG-5fl7D:
undetectable		 4kyaG-5fl7D:
24.72
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.
5guj DNA PRIMASE

(Bacillus
subtilis) 		PF08275
(Toprim_N)
PF10410
(DnaB_bind)
PF13155
(Toprim_2) 		5 VAL A 219
ALA A 187
SER A 222
VAL A 218
THR A 239
 None
 1.44A 4kyaG-5gujA:
undetectable		 4kyaG-5gujA:
18.99
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.
5gva WD REPEAT AND
HMG-BOX DNA-BINDING
PROTEIN 1

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 VAL A 139
ALA A  97
SER A 143
LEU A 151
VAL A 118
 None
 1.27A 4kyaG-5gvaA:
undetectable		 4kyaG-5gvaA:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		5 ALA B 542
SER B 538
PHE B 524
VAL B 466
THR B 547
 None
 1.28A 4kyaG-5gztB:
2.5		 4kyaG-5gztB:
19.48
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.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		5 VAL A1331
ASP A1302
MET A1279
LEU A1242
VAL A1284
 None
 1.10A 4kyaG-5jbeA:
undetectable		 4kyaG-5jbeA:
21.72
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.
5lp4 PENICILLIN-BINDING
PROTEIN 2 (PBP2)

(Helicobacter
pylori) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 VAL A 122
MET A 130
LEU A 137
VAL A  73
THR A 102
 None
 1.20A 4kyaG-5lp4A:
undetectable		 4kyaG-5lp4A:
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.
5my0 FATTY ACID SYNTHASE

(Mus musculus) 		no annotation 5 VAL B 107
ALA B 183
LEU B  82
VAL B 109
THR B 105
 None
 1.40A 4kyaG-5my0B:
undetectable		 4kyaG-5my0B:
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.
5ntu GROWTH/DIFFERENTIATI
ON FACTOR 8

(Homo sapiens) 		no annotation 5 VAL A 171
SER A 205
THR A 240
PHE A 252
LEU A 156
 None
EDO  A 405 (-3.4A)
EDO  A 403 (-3.7A)
None
None
 1.21A 4kyaG-5ntuA:
undetectable		 4kyaG-5ntuA:
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.
5oen INTERFERON
REGULATORY FACTOR 9

(Mus musculus) 		no annotation 5 VAL A 314
SER A 293
MET A 364
LEU A 343
VAL A 284
 None
 1.26A 4kyaG-5oenA:
undetectable		 4kyaG-5oenA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		11 VAL A   8
ALA A  10
ASP A  31
SER A  36
THR A  83
MET A  87
PHE A  91
LEU A  94
ARG A  97
VAL A 151
THR A 172
 73X  A 704 (-3.7A)
73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
None
NDP  A 702 (-3.2A)
73X  A 704 (-4.8A)
73X  A 704 ( 4.2A)
None
None
73X  A 704 ( 3.8A)
73X  A 704 (-4.2A)
 0.25A 4kyaG-5t0lA:
56.4		 4kyaG-5t0lA:
100.00
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.
5t65 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN
PCTA

(Pseudomonas
aeruginosa) 		PF02743
(dCache_1) 		5 ALA A 157
SER A 125
THR A 166
VAL A 133
THR A 155
 None
 1.16A 4kyaG-5t65A:
undetectable		 4kyaG-5t65A:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tzk GLYCOSYL TRANSFERASE

(Staphylococcus
aureus) 		PF00535
(Glycos_transf_2) 		5 VAL C   5
ALA C  78
SER C  92
LEU C  20
VAL C  35
 None
None
UDP  C 401 (-2.8A)
None
None
 1.41A 4kyaG-5tzkC:
2.7		 4kyaG-5tzkC:
21.04
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.
5ue0 CT622 PROTEIN

(Chlamydia
trachomatis) 		no annotation 5 VAL A 542
ALA A 537
SER A 644
LEU A 482
VAL A 551
 None
 1.39A 4kyaG-5ue0A:
undetectable		 4kyaG-5ue0A:
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.
5v12 HERCYNYLCYSTEINE
SULFOXIDE LYASE

(Neurospora
crassa) 		no annotation 5 ALA C 106
SER C  47
MET C 228
ARG C 438
THR C 107
 EXA  C 247 ( 3.5A)
FMT  C 501 (-3.2A)
None
FMT  C 501 (-3.2A)
EXA  C 247 ( 3.5A)
 1.42A 4kyaG-5v12C:
2.4		 4kyaG-5v12C:
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.
5v6l HEAVY CHAIN OF FAB
FRAGMENT OF RABBIT
ANTI-HIV1 GP120 V3
MAB 10A37

(Oryctolagus
cuniculus) 		no annotation 5 VAL H 111
ALA H  85
LEU H  20
VAL H 109
THR H  83
 None
 1.37A 4kyaG-5v6lH:
undetectable		 4kyaG-5v6lH:
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.
5vj1 MDCA

(Pseudomonas
aeruginosa) 		PF16957
(Mal_decarbox_Al) 		5 VAL A  40
ALA A  42
SER A  67
LEU A  96
VAL A  73
 None
 1.33A 4kyaG-5vj1A:
2.1		 4kyaG-5vj1A:
23.37
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.
5xa1 INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1

(Mus musculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		5 VAL A 435
ALA A 438
ASP A 442
SER A 277
VAL A 239
 None
 1.43A 4kyaG-5xa1A:
undetectable		 4kyaG-5xa1A:
16.51
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.
5xa1 INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1

(Mus musculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		5 VAL A 435
ALA A 438
ASP A 442
SER A 278
VAL A 239
 None
 1.25A 4kyaG-5xa1A:
undetectable		 4kyaG-5xa1A:
16.51
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.
6b3x CLEAVAGE STIMULATION
FACTOR SUBUNIT 1

(Homo sapiens) 		no annotation 5 ALA A 114
THR A 357
LEU A 378
VAL A 400
THR A 125
 None
 1.38A 4kyaG-6b3xA:
undetectable		 4kyaG-6b3xA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B

(Flavobacterium
johnsoniae) 		no annotation 5 ALA B 215
SER B 407
LEU B 189
VAL B 212
THR B 414
 None
 1.19A 4kyaG-6btmB:
undetectable		 4kyaG-6btmB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ALA A   8
ASP A  28
THR A  47
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.46A 4kyaG-6cxmA:
19.5		 4kyaG-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.
6d6q EXOSOME COMPLEX
COMPONENT RRP42

(Homo sapiens) 		no annotation 5 VAL E 139
ALA E 106
SER E 153
LEU E 160
VAL E 137
 None
 1.31A 4kyaG-6d6qE:
undetectable		 4kyaG-6d6qE:
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 5 ALA A   7
ASP A  27
THR A  46
LEU A  40
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
None
MMV  A 202 (-4.3A)
 1.06A 4kyaG-6e4eA:
20.7		 4kyaG-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.
6e4e -

(-) 		no annotation 6 ALA A   7
ASP A  27
THR A  46
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
None
None
MMV  A 202 (-4.3A)
 0.58A 4kyaG-6e4eA:
20.7		 4kyaG-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.
6f2x PROTEIN TYROSINE
KINASE A

(Mycobacterium
tuberculosis) 		no annotation 5 VAL A 258
ALA A 280
PHE A 267
ARG A 241
VAL A 257
 None
 1.43A 4kyaG-6f2xA:
4.1		 4kyaG-6f2xA:
undetectable