SIMILAR PATTERNS OF AMINO ACIDS FOR 4KYA_C_FOLC703

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) 		6 VAL A   6
ALA A   8
ASP A  27
LEU A  55
ARG A  58
THR A 121
 None
 0.42A 4kyaC-1cz3A:
12.8		 4kyaC-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) 		5 ALA A   9
LEU A  67
ARG A  70
VAL A 115
THR A 136
 HBI  A 198 ( 3.6A)
None
None
HBI  A 198 ( 4.3A)
HBI  A 198 ( 4.5A)
 0.35A 4kyaC-1dr6A:
18.3		 4kyaC-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.
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
 1.36A 4kyaC-1mjhA:
undetectable		 4kyaC-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.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		5 ALA A   9
LEU A  67
ARG A  70
VAL A 115
THR A 136
 NDP  A 188 (-3.6A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
MTX  A 187 ( 4.0A)
MTX  A 187 (-4.4A)
 0.32A 4kyaC-1u70A:
17.8		 4kyaC-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) 		5 ALA A   9
LEU A  67
ARG A  70
VAL A 115
THR A 136
 MXA  A 187 (-3.6A)
None
None
MXA  A 187 (-4.3A)
MXA  A 187 (-4.3A)
 0.28A 4kyaC-1u71A:
18.3		 4kyaC-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.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.46A 4kyaC-1zdrA:
14.7		 4kyaC-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)
 0.33A 4kyaC-2blbA:
17.4		 4kyaC-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
 1.42A 4kyaC-2g28A:
undetectable		 4kyaC-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
 1.44A 4kyaC-2gfpA:
undetectable		 4kyaC-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
PHE A  88
LEU A  91
ARG A  94
THR A 178
 None
NAP  A 523 (-3.7A)
None
None
None
None
None
 0.67A 4kyaC-2h2qA:
36.9		 4kyaC-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
 1.42A 4kyaC-2i0kA:
undetectable		 4kyaC-2i0kA:
21.82
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.
2j3m PROLYL-TRNA
SYNTHETASE

(Enterococcus
faecalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF04073
(tRNA_edit) 		5 ALA A 236
SER A 207
MET A 211
PHE A 210
THR A 237
 None
 1.48A 4kyaC-2j3mA:
undetectable		 4kyaC-2j3mA:
23.44
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.
2nzu CATABOLITE CONTROL
PROTEIN
PHOSPHOCARRIER
PROTEIN HPR

(Bacillus
megaterium;
Bacillus
megaterium) 		PF13377
(Peripla_BP_3)
PF00381
(PTS-HPr) 		5 ALA L  16
ASP G 296
SER L  52
PHE L  37
VAL L  23
 None
 1.49A 4kyaC-2nzuL:
undetectable		 4kyaC-2nzuL:
11.40
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) 		6 ALA A  11
ASP A  32
SER A  37
LEU A  52
ARG A  70
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 2.9A)
None
MTX  A 605 ( 3.1A)
MTX  A 605 ( 4.2A)
 1.49A 4kyaC-2oipA:
42.8		 4kyaC-2oipA:
44.56
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) 		7 VAL A   9
ALA A  11
ASP A  32
SER A  37
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)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
MTX  A 605 ( 4.2A)
 0.51A 4kyaC-2oipA:
42.8		 4kyaC-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.
2qgg 16S RRNA-PROCESSING
PROTEIN RIMM

(Acinetobacter
calcoaceticus) 		PF01782
(RimM)
PF05239
(PRC) 		5 ALA A  99
ASP A 102
MET A 141
LEU A 109
VAL A 167
 None
 1.41A 4kyaC-2qggA:
undetectable		 4kyaC-2qggA:
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.
2r3s UNCHARACTERIZED
PROTEIN

(Nostoc
punctiforme) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 ALA A 259
PHE A 244
LEU A 241
VAL A 266
THR A 258
 None
 1.48A 4kyaC-2r3sA:
undetectable		 4kyaC-2r3sA:
20.81
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.
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 4kyaC-2vbfA:
undetectable		 4kyaC-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) 		5 VAL A   9
ALA A  11
ASP A  31
ARG A  64
THR A 121
 VG9  A1168 (-4.2A)
VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.7A)
 0.62A 4kyaC-2w3wA:
15.3		 4kyaC-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) 		5 VAL A   9
ALA A  11
ASP A  31
LEU A  61
THR A 121
 VG9  A1168 (-4.2A)
VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.7A)
 0.37A 4kyaC-2w3wA:
15.3		 4kyaC-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
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 0.61A 4kyaC-2w9sA:
14.9		 4kyaC-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.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Thermosynechococcus
elongatus) 		PF00148
(Oxidored_nitro) 		5 ALA A 134
MET A  67
LEU A  51
VAL A  27
THR A 149
 None
 1.47A 4kyaC-2xdqA:
undetectable		 4kyaC-2xdqA:
21.85
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.
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
 1.27A 4kyaC-3a5iA:
undetectable		 4kyaC-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.
3aj6 MAIN HEMAGGLUTININ
COMPONENT

(Clostridium
botulinum) 		no annotation 5 VAL A  82
ASP A  65
PHE A  16
VAL A  35
THR A  67
 None
 1.50A 4kyaC-3aj6A:
undetectable		 4kyaC-3aj6A:
18.74
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.
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
 1.39A 4kyaC-3cwvA:
undetectable		 4kyaC-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
 1.25A 4kyaC-3daqA:
undetectable		 4kyaC-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) 		5 ALA A   6
ASP A  26
LEU A  54
ARG A  57
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.57A 4kyaC-3dfrA:
15.5		 4kyaC-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)
 0.45A 4kyaC-3dg8A:
17.8		 4kyaC-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.
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
 0.94A 4kyaC-3g7jA:
undetectable		 4kyaC-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.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ALA A 143
ASP A 138
PHE A 403
LEU A  74
THR A 144
 None
 1.50A 4kyaC-3glqA:
undetectable		 4kyaC-3glqA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ALA X   7
ASP X  27
LEU X  54
ARG X  57
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
None
None
N22  X 219 (-4.4A)
 0.64A 4kyaC-3i8aX:
15.0		 4kyaC-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.
3il7 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Staphylococcus
aureus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ALA A 122
SER A 105
LEU A  94
VAL A 137
THR A 121
 None
 1.46A 4kyaC-3il7A:
undetectable		 4kyaC-3il7A:
19.93
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.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		6 ALA A  10
MET A  53
LEU A  58
ARG A  61
VAL A 100
THR A 119
 MTX  A 200 (-3.8A)
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)
 0.75A 4kyaC-3ix9A:
15.0		 4kyaC-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) 		5 ALA A  16
ASP A  37
LEU A  80
ARG A  83
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
 0.40A 4kyaC-3kjrA:
44.8		 4kyaC-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
 1.22A 4kyaC-3l0iA:
undetectable		 4kyaC-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 4kyaC-3pv2A:
undetectable		 4kyaC-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)
 1.31A 4kyaC-3q2iA:
undetectable		 4kyaC-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) 		6 VAL A  32
ALA A  34
ASP A  54
LEU A  97
ARG A 100
THR A 184
 WRA  A 602 (-4.3A)
WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
None
None
WRA  A 602 (-4.2A)
 0.44A 4kyaC-3rg9A:
18.5		 4kyaC-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
 1.41A 4kyaC-3tglA:
undetectable		 4kyaC-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) 		5 ALA A   8
ASP A  28
LEU A  55
ARG A  58
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 (-4.3A)
 0.43A 4kyaC-3tq9A:
15.3		 4kyaC-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) 		5 ASP A  54
PHE A 116
LEU A 119
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 (-4.3A)
 0.56A 4kyaC-3um6A:
40.9		 4kyaC-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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		6 VAL A   6
ALA A   8
ASP A  28
LEU A  64
ARG A  67
THR A 133
 None
 0.51A 4kyaC-3vcoA:
16.1		 4kyaC-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) 		5 VAL A   6
ALA A   8
PHE A  61
LEU A  64
ARG A  67
 None
 0.73A 4kyaC-3vcoA:
16.1		 4kyaC-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
 1.26A 4kyaC-3vtrA:
undetectable		 4kyaC-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.
3w9i MULTIDRUG RESISTANCE
PROTEIN MEXB

(Pseudomonas
aeruginosa) 		PF00873
(ACR_tran) 		5 VAL A 576
ALA A 627
SER A 593
VAL A 663
THR A 611
 None
 1.18A 4kyaC-3w9iA:
undetectable		 4kyaC-3w9iA:
21.29
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.
4aez WD REPEAT-CONTAINING
PROTEIN SLP1

(Schizosaccharomyces
pombe) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 VAL A 266
ALA A 225
SER A 270
LEU A 276
VAL A 245
 None
 1.46A 4kyaC-4aezA:
undetectable		 4kyaC-4aezA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c5n PHOSPHOMETHYLPYRIMID
INE KINASE

(Staphylococcus
aureus) 		PF08543
(Phos_pyr_kin) 		5 VAL A 104
ALA A 217
PHE A 141
LEU A 146
VAL A 136
 None
 1.44A 4kyaC-4c5nA:
undetectable		 4kyaC-4c5nA:
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.
4eu2 PROTEASOME COMPONENT
C7-ALPHA

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 ALA A 168
SER A  55
PHE A 218
VAL A  52
THR A 169
 None
 1.47A 4kyaC-4eu2A:
undetectable		 4kyaC-4eu2A:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.66A 4kyaC-4g8zX:
17.7		 4kyaC-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.
4lmx CRYPTOPHYTE
PHYCOERYTHRIN
(ALPHA-2 CHAIN)
CRYPTOPHYTE
PHYCOERYTHRIN (BETA
CHAIN)

(Hemiselmis
andersenii;
Hemiselmis
andersenii) 		PF02972
(Phycoerythr_ab)
PF00502
(Phycobilisome) 		5 VAL A  38
ALA B  16
SER B   6
LEU B  27
VAL A  36
 None
 1.47A 4kyaC-4lmxA:
undetectable		 4kyaC-4lmxA:
7.82
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
LEU A  57
ARG A  60
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
None
None
TMQ  A 202 (-4.2A)
 0.45A 4kyaC-4m2xA:
14.6		 4kyaC-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)
 0.81A 4kyaC-4m7vA:
14.6		 4kyaC-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.
4mou ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Paenarthrobacter
aurescens) 		PF00378
(ECH_1) 		5 VAL A  23
ALA A  59
SER A 208
LEU A 205
VAL A  62
 None
 1.43A 4kyaC-4mouA:
undetectable		 4kyaC-4mouA:
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.
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
 1.34A 4kyaC-4p4sA:
undetectable		 4kyaC-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.
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 4kyaC-4pj3A:
undetectable		 4kyaC-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.
4qxl FLAGELLAR PROTEIN
FLHE

(Salmonella
enterica) 		PF06366
(FlhE) 		5 VAL A 111
ALA A  29
SER A  60
LEU A  58
VAL A 109
 None
 1.50A 4kyaC-4qxlA:
undetectable		 4kyaC-4qxlA:
12.32
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.
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
 1.45A 4kyaC-4uidA:
undetectable		 4kyaC-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.
4wl2 PUTATIVE EXPORTED
CHOLOYLGLYCINE
HYDROLASE

(Pectobacterium
atrosepticum) 		PF02275
(CBAH) 		5 VAL A 125
ASP A 155
SER A 175
MET A 181
THR A 120
 None
 1.49A 4kyaC-4wl2A:
undetectable		 4kyaC-4wl2A:
20.76
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.
5b2h HA-33

(Clostridium
botulinum) 		PF14200
(RicinB_lectin_2) 		5 VAL A  82
ASP A  65
PHE A  16
VAL A  35
THR A  67
 None
 1.49A 4kyaC-5b2hA:
undetectable		 4kyaC-5b2hA:
17.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.43A 4kyaC-5dkxA:
undetectable		 4kyaC-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.
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 4kyaC-5fl7D:
undetectable		 4kyaC-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.
5gai PORTAL PROTEIN

(Salmonella
virus P22) 		PF16510
(P22_portal) 		5 VAL A 320
ALA A 121
ASP A  32
LEU A  45
VAL A  38
 None
 1.46A 4kyaC-5gaiA:
undetectable		 4kyaC-5gaiA:
20.81
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.
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
 1.45A 4kyaC-5gujA:
undetectable		 4kyaC-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
 1.26A 4kyaC-5gvaA:
undetectable		 4kyaC-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
 1.27A 4kyaC-5gztB:
undetectable		 4kyaC-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
 1.11A 4kyaC-5jbeA:
undetectable		 4kyaC-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.
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
 1.38A 4kyaC-5my0B:
undetectable		 4kyaC-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.
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 4kyaC-5oenA:
undetectable		 4kyaC-5oenA:
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.
5oyn DEHYDRATASE,
ILVD/EDD FAMILY

(Caulobacter
vibrioides) 		no annotation 5 VAL A 449
ASP A 486
SER A 512
ARG A 515
VAL A 424
 None
 1.43A 4kyaC-5oynA:
undetectable		 4kyaC-5oynA:
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) 		10 VAL A   8
ALA A  10
ASP A  31
SER A  36
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
73X  A 704 (-4.8A)
73X  A 704 ( 4.2A)
None
None
73X  A 704 ( 3.8A)
73X  A 704 (-4.2A)
 0.24A 4kyaC-5t0lA:
55.0		 4kyaC-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.
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
 1.42A 4kyaC-5tzkC:
undetectable		 4kyaC-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.
5u70 POTASSIUM CHANNEL
SUBFAMILY T MEMBER 1

(Gallus gallus) 		PF03493
(BK_channel_a)
PF07885
(Ion_trans_2) 		5 ASP A 871
SER A 898
MET A 947
VAL A 942
THR A 874
 None
 1.43A 4kyaC-5u70A:
undetectable		 4kyaC-5u70A:
18.14
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.
5uc5 CHS2 CHALCONE
SYNTHASE

(Malus domestica) 		no annotation 5 VAL A 222
ASP A 347
LEU A 384
VAL A  19
THR A  24
 None
 1.47A 4kyaC-5uc5A:
undetectable		 4kyaC-5uc5A:
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
 1.39A 4kyaC-5v6lH:
undetectable		 4kyaC-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
 1.34A 4kyaC-5vj1A:
undetectable		 4kyaC-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 278
VAL A 239
 None
 1.26A 4kyaC-5xa1A:
undetectable		 4kyaC-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.
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
 1.22A 4kyaC-6btmB:
undetectable		 4kyaC-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 5 ALA A   8
ASP A  28
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.46A 4kyaC-6cxmA:
14.1		 4kyaC-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
 1.32A 4kyaC-6d6qE:
undetectable		 4kyaC-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
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.3A)
 0.57A 4kyaC-6e4eA:
15.1		 4kyaC-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
 1.44A 4kyaC-6f2xA:
undetectable		 4kyaC-6f2xA:
undetectable