SIMILAR PATTERNS OF AMINO ACIDS FOR 4KYA_A_FOLA703

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
 0.42A 4kyaA-1cz3A:
17.7		 4kyaA-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 4kyaA-1dr6A:
11.4		 4kyaA-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.
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
 0.82A 4kyaA-1juvA:
15.7		 4kyaA-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
 1.38A 4kyaA-1mjhA:
3.2		 4kyaA-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) 		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)
 0.29A 4kyaA-1u70A:
24.0		 4kyaA-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 4kyaA-1u71A:
24.7		 4kyaA-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 4kyaA-1xeuA:
undetectable		 4kyaA-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.
1xkh FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 VAL A 331
THR A 397
PHE A 217
LEU A 268
THR A 329
 None
 1.43A 4kyaA-1xkhA:
undetectable		 4kyaA-1xkhA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4kyaA-1zdrA:
20.2		 4kyaA-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.
2a0j PTS SYSTEM, NITROGEN
REGULATORY IIA
PROTEIN

(Neisseria
meningitidis) 		PF00359
(PTS_EIIA_2) 		5 ALA A  64
THR A  83
MET A  17
VAL A  87
THR A  57
 None
 1.45A 4kyaA-2a0jA:
undetectable		 4kyaA-2a0jA:
14.99
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.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 ASP A1608
SER A1584
THR A1545
MET A1561
VAL A1626
 None
 1.41A 4kyaA-2b39A:
undetectable		 4kyaA-2b39A:
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.
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 4kyaA-2blbA:
23.1		 4kyaA-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
 1.40A 4kyaA-2g28A:
undetectable		 4kyaA-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
 1.43A 4kyaA-2gfpA:
undetectable		 4kyaA-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 4kyaA-2h2qA:
18.0		 4kyaA-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
 0.62A 4kyaA-2h2qA:
18.0		 4kyaA-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.
2hf0 BILE SALT HYDROLASE

(Bifidobacterium
longum) 		PF02275
(CBAH) 		5 VAL A 256
ASP A  20
SER A 222
VAL A 229
THR A 273
 None
 1.42A 4kyaA-2hf0A:
undetectable		 4kyaA-2hf0A:
19.29
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.
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 4kyaA-2i0kA:
undetectable		 4kyaA-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)
 0.48A 4kyaA-2oipA:
44.1		 4kyaA-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
 1.26A 4kyaA-2pfmA:
undetectable		 4kyaA-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.
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
 1.39A 4kyaA-2qggA:
undetectable		 4kyaA-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.
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 4kyaA-2v9iA:
undetectable		 4kyaA-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)
 1.29A 4kyaA-2vbfA:
2.2		 4kyaA-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.
2vr2 DIHYDROPYRIMIDINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 ALA A  90
SER A 130
PHE A 386
LEU A 388
THR A  87
 None
 1.29A 4kyaA-2vr2A:
undetectable		 4kyaA-2vr2A:
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.
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)
 0.60A 4kyaA-2w3wA:
21.0		 4kyaA-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 4kyaA-2w3wA:
21.0		 4kyaA-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)
 0.94A 4kyaA-2w9sA:
20.6		 4kyaA-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 4kyaA-2w9sA:
20.6		 4kyaA-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
 1.27A 4kyaA-3a5iA:
undetectable		 4kyaA-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.
3b3l KETOHEXOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 VAL A 188
ALA A 219
SER A 273
LEU A 278
VAL A 222
 None
 1.44A 4kyaA-3b3lA:
2.1		 4kyaA-3b3lA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 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 4kyaA-3cwvA:
undetectable		 4kyaA-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
 1.26A 4kyaA-3daqA:
undetectable		 4kyaA-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)
 0.58A 4kyaA-3dfrA:
21.3		 4kyaA-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)
 0.43A 4kyaA-3dg8A:
23.6		 4kyaA-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
 1.33A 4kyaA-3el6A:
undetectable		 4kyaA-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.
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 4kyaA-3g7jA:
undetectable		 4kyaA-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)
 0.65A 4kyaA-3i8aX:
20.8		 4kyaA-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)
 0.42A 4kyaA-3ia4A:
20.7		 4kyaA-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 4kyaA-3itdA:
2.1		 4kyaA-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)
 0.75A 4kyaA-3ix9A:
20.5		 4kyaA-3ix9A:
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.
3jq0 SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ALA A 193
ASP A 190
THR A 120
MET A 116
LEU A  50
 None
 1.45A 4kyaA-3jq0A:
undetectable		 4kyaA-3jq0A:
20.88
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
 0.43A 4kyaA-3kjrA:
45.7		 4kyaA-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
 1.17A 4kyaA-3l0iA:
undetectable		 4kyaA-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
 1.37A 4kyaA-3pv2A:
undetectable		 4kyaA-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 4kyaA-3q2iA:
2.8		 4kyaA-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)
 0.46A 4kyaA-3rg9A:
12.4		 4kyaA-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 4kyaA-3rg9A:
12.4		 4kyaA-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
 1.42A 4kyaA-3tglA:
undetectable		 4kyaA-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 4kyaA-3tq9A:
21.1		 4kyaA-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)
 0.52A 4kyaA-3um6A:
42.0		 4kyaA-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
 1.44A 4kyaA-3va9A:
undetectable		 4kyaA-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
 0.52A 4kyaA-3vcoA:
12.1		 4kyaA-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 4kyaA-3vcoA:
12.1		 4kyaA-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
 1.29A 4kyaA-3vtrA:
undetectable		 4kyaA-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) 		6 ALA X  12
SER X  37
THR X  61
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
NDP  X 302 (-3.4A)
None
None
TOP  X 301 (-4.5A)
 0.69A 4kyaA-4g8zX:
23.6		 4kyaA-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)
 0.60A 4kyaA-4h96A:
19.8		 4kyaA-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)
 0.36A 4kyaA-4h98A:
20.9		 4kyaA-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
 1.42A 4kyaA-4j16A:
undetectable		 4kyaA-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
 1.29A 4kyaA-4jy6B:
undetectable		 4kyaA-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)
 0.43A 4kyaA-4m2xA:
20.1		 4kyaA-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)
 0.82A 4kyaA-4m7vA:
20.0		 4kyaA-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 4kyaA-4m7vA:
20.0		 4kyaA-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)
 0.77A 4kyaA-4m7vA:
20.0		 4kyaA-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
 1.44A 4kyaA-4mcoA:
undetectable		 4kyaA-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.
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
 1.44A 4kyaA-4mouA:
undetectable		 4kyaA-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.
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
 1.36A 4kyaA-4nq8A:
undetectable		 4kyaA-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.
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)
 0.37A 4kyaA-4p68A:
21.4		 4kyaA-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 4kyaA-4pj3A:
undetectable		 4kyaA-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.
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
 1.25A 4kyaA-4wctA:
undetectable		 4kyaA-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
 1.35A 4kyaA-4xeqA:
undetectable		 4kyaA-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.
4zwv PUTATIVE
AMINOTRANSFERASE

(Actinomadura
melliaura) 		PF01041
(DegT_DnrJ_EryC1) 		5 VAL A 155
ALA A 122
THR A  77
LEU A 109
VAL A 125
 GOL  A 401 (-4.0A)
None
None
None
None
 1.44A 4kyaA-4zwvA:
undetectable		 4kyaA-4zwvA:
23.48
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.
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
 1.37A 4kyaA-5alcH:
undetectable		 4kyaA-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.
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
 1.42A 4kyaA-5ce7A:
undetectable		 4kyaA-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
 1.45A 4kyaA-5dkxA:
undetectable		 4kyaA-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)
 0.39A 4kyaA-5dxvA:
4.3		 4kyaA-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 4kyaA-5fdaA:
14.8		 4kyaA-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.
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
 1.45A 4kyaA-5gaiA:
undetectable		 4kyaA-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.
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 4kyaA-5gvaA:
undetectable		 4kyaA-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
 1.30A 4kyaA-5gztB:
undetectable		 4kyaA-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.
5hwq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Myxococcus
xanthus) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 VAL A 142
ASP A 110
MET A 106
LEU A 102
VAL A 140
 None
 1.35A 4kyaA-5hwqA:
undetectable		 4kyaA-5hwqA:
21.73
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.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		5 VAL A1331
ASP A1302
MET A1279
LEU A1242
VAL A1284
 None
 1.10A 4kyaA-5jbeA:
undetectable		 4kyaA-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
 1.21A 4kyaA-5lp4A:
undetectable		 4kyaA-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
 1.37A 4kyaA-5my0B:
undetectable		 4kyaA-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
 1.26A 4kyaA-5ntuA:
undetectable		 4kyaA-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
 1.23A 4kyaA-5oenA:
undetectable		 4kyaA-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)
 0.23A 4kyaA-5t0lA:
56.4		 4kyaA-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 4kyaA-5t65A:
undetectable		 4kyaA-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.
5uqc DIHYDROPYRIMIDINASE-
RELATED PROTEIN 2

(Mus musculus) 		PF01979
(Amidohydro_1) 		5 ALA A  96
SER A 136
PHE A 392
LEU A 394
THR A  93
 None
 1.24A 4kyaA-5uqcA:
undetectable		 4kyaA-5uqcA:
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.
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)
 1.45A 4kyaA-5v12C:
2.9		 4kyaA-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 4kyaA-5v6lH:
undetectable		 4kyaA-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
 1.32A 4kyaA-5vj1A:
2.1		 4kyaA-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.
5x8g 2-SUCCINYLBENZOATE--
COA LIGASE

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ALA A  80
PHE A  35
LEU A  34
VAL A  67
THR A 148
 None
PEG  A 510 (-3.9A)
None
None
None
 1.40A 4kyaA-5x8gA:
undetectable		 4kyaA-5x8gA:
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.
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
 1.28A 4kyaA-5xa1A:
undetectable		 4kyaA-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
 1.40A 4kyaA-6b3xA:
undetectable		 4kyaA-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 4kyaA-6btmB:
undetectable		 4kyaA-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 4kyaA-6cxmA:
19.5		 4kyaA-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
 1.34A 4kyaA-6d6qE:
undetectable		 4kyaA-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)
 1.04A 4kyaA-6e4eA:
20.8		 4kyaA-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)
 0.56A 4kyaA-6e4eA:
20.8		 4kyaA-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 4kyaA-6f2xA:
4.9		 4kyaA-6f2xA:
undetectable