SIMILAR PATTERNS OF AMINO ACIDS FOR 4M2X_A_TMQA202_1

List of similar pattern of amino acids derived from ASSAM search

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

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

(Hordeum vulgare) 		PF00141
(peroxidase) 		5 ILE A 281
ASP A 147
ARG A 288
LEU A 162
ILE A 175
 None
None
None
None
HEM  A 400 (-3.7A)
 1.00A 4m2xA-1bgpA:
undetectable		 4m2xA-1bgpA:
20.45
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.
1ck7 PROTEIN (GELATINASE
A)

(Homo sapiens) 		PF00040
(fn2)
PF00045
(Hemopexin)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		5 ILE A 169
ALA A 194
PHE A 405
LEU A 397
ILE A 171
 None
 0.96A 4m2xA-1ck7A:
undetectable		 4m2xA-1ck7A:
13.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 ALA A   8
ASP A  27
PHE A  31
LEU A  55
ILE A 100
 None
 0.47A 4m2xA-1cz3A:
17.4		 4m2xA-1cz3A:
31.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		5 ILE A   7
ALA A   9
PHE A  34
LEU A  67
TYR A 121
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
None
None
 0.43A 4m2xA-1dr6A:
20.6		 4m2xA-1dr6A:
30.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		5 ILE A   7
PHE A  34
PRO A  61
LEU A  67
TYR A 121
 HBI  A 198 (-4.1A)
HBI  A 198 (-4.1A)
None
None
None
 0.56A 4m2xA-1dr6A:
20.6		 4m2xA-1dr6A:
30.69
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.
1epv ALANINE RACEMASE

(Geobacillus
stearothermophilus) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ILE A  34
ALA A  54
ILE A  17
PHE A 220
LEU A 241
 None
 0.97A 4m2xA-1epvA:
undetectable		 4m2xA-1epvA:
17.05
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.
1fok PROTEIN (FOKI
RESTRICTION
ENDONUCLEASE)

(Planomicrobium
okeanokoites) 		PF02980
(FokI_C)
PF02981
(FokI_N)
PF09254
(Endonuc-FokI_C)
PF16902
(Type2_restr_D3) 		5 ILE A 453
ILE A 558
PHE A 432
LEU A 546
TYR A 462
 None
 0.94A 4m2xA-1fokA:
undetectable		 4m2xA-1fokA:
14.97
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.
1i5e URACIL
PHOSPHORIBOSYLTRANSF
ERASE

([Bacillus]
caldolyticus) 		PF14681
(UPRTase) 		5 ILE A  77
LEU A 118
PRO A 119
LEU A 147
ILE A 100
 None
 0.97A 4m2xA-1i5eA:
undetectable		 4m2xA-1i5eA:
21.80
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 ASP A  36
PHE A  40
LEU A  59
LEU A  63
ILE A 127
 None
 0.81A 4m2xA-1juvA:
16.7		 4m2xA-1juvA:
26.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 ASP A  36
PHE A  40
LEU A  59
PRO A  60
ILE A 127
 None
 0.40A 4m2xA-1juvA:
16.7		 4m2xA-1juvA:
26.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l6j MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00040
(fn2)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		5 ILE A 166
ALA A 191
PHE A 403
LEU A 395
ILE A 168
 None
 0.95A 4m2xA-1l6jA:
undetectable		 4m2xA-1l6jA:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1opo COAT PROTEIN

(Carnation
mottle virus) 		PF00729
(Viral_coat)
PF08462
(Carmo_coat_C) 		5 ALA A 159
ASP A 192
ARG A 196
LEU A 135
ILE A 214
 None
 0.79A 4m2xA-1opoA:
undetectable		 4m2xA-1opoA:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qou CEN

(Antirrhinum
majus) 		PF01161
(PBP) 		5 ALA A 166
ASP A  14
ILE A  12
ARG A 119
ILE A  67
 None
 1.00A 4m2xA-1qouA:
undetectable		 4m2xA-1qouA:
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.
1tzx N UTILIZATION
SUBSTANCE PROTEIN B
HOMOLOG

(Thermotoga
maritima) 		PF01029
(NusB) 		5 ILE A 130
ALA A  88
LEU A  77
LEU A  69
ILE A 126
 None
 1.02A 4m2xA-1tzxA:
undetectable		 4m2xA-1tzxA:
20.99
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.
1u5u ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		no annotation 5 ALA A 304
ILE A  77
PHE A  91
PRO A 131
LEU A 331
 None
 1.01A 4m2xA-1u5uA:
undetectable		 4m2xA-1u5uA:
18.85
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.
1u5u ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		no annotation 5 ILE A 273
ALA A 304
ILE A  77
PHE A  91
PRO A 131
 None
 1.01A 4m2xA-1u5uA:
undetectable		 4m2xA-1u5uA:
18.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		7 ILE A   7
ALA A   9
ASP A  21
PHE A  34
PRO A  61
LEU A  67
TYR A 121
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
None
MTX  A 187 (-4.3A)
MTX  A 187 (-4.8A)
MTX  A 187 ( 4.5A)
None
 0.77A 4m2xA-1u70A:
20.2		 4m2xA-1u70A:
31.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		7 ILE A   7
ALA A   9
ASP A  21
PHE A  34
PRO A  61
LEU A  67
TYR A 121
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
None
MXA  A 187 (-3.9A)
MXA  A 187 (-4.4A)
None
None
 0.44A 4m2xA-1u71A:
20.8		 4m2xA-1u71A:
31.94
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.
1wa5 IMPORTIN ALPHA
RE-EXPORTER

(Saccharomyces
cerevisiae) 		PF03378
(CAS_CSE1)
PF03810
(IBN_N)
PF08506
(Cse1) 		5 ILE C 818
ILE C 799
PHE C 786
LEU C 767
ILE C 813
 None
 0.98A 4m2xA-1wa5C:
undetectable		 4m2xA-1wa5C:
10.40
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.
1ycg NITRIC OXIDE
REDUCTASE

(Moorella
thermoacetica) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		5 ILE A 301
ALA A 255
ILE A 393
LEU A 366
LEU A 359
 None
 0.98A 4m2xA-1ycgA:
undetectable		 4m2xA-1ycgA:
17.49
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.
1ys9 PROTEIN SPY1043

(Streptococcus
pyogenes) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 ALA A  23
ASP A 206
LEU A  10
LEU A  56
ILE A  28
 None
 1.02A 4m2xA-1ys9A:
undetectable		 4m2xA-1ys9A:
24.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
ASP A  27
PHE A  31
LEU A  54
ILE A  96
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 (-4.2A)
None
 0.43A 4m2xA-1zdrA:
22.0		 4m2xA-1zdrA:
34.73
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		8 ILE A  13
ALA A  15
ASP A  53
PHE A  57
PRO A 122
LEU A 128
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
None
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
 0.68A 4m2xA-2blbA:
19.4		 4m2xA-2blbA:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
ILE A  41
ASP A  48
PHE A  52
LEU A  91
ILE A 154
TYR A 160
 NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
None
None
None
None
None
 0.49A 4m2xA-2h2qA:
20.0		 4m2xA-2h2qA:
20.04
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 PHE A  52
PRO A  85
LEU A  91
ILE A 154
TYR A 160
 None
 0.54A 4m2xA-2h2qA:
20.0		 4m2xA-2h2qA:
20.04
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.
2ld7 HISTONE DEACETYLASE
COMPLEX SUBUNIT
SAP30
PAIRED AMPHIPATHIC
HELIX PROTEIN SIN3A

(Mus musculus) 		PF02671
(PAH)
PF13867
(SAP30_Sin3_bdg) 		5 ILE A 189
PHE A 186
LEU A 153
LEU B 504
ILE B 490
 None
 1.01A 4m2xA-2ld7A:
undetectable		 4m2xA-2ld7A:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oce HYPOTHETICAL PROTEIN
PA5201

(Pseudomonas
aeruginosa) 		PF00575
(S1)
PF09371
(Tex_N)
PF12836
(HHH_3)
PF16921
(Tex_YqgF) 		5 ALA A 330
ASP A 355
LEU A 375
LEU A 405
ILE A 387
 None
 0.96A 4m2xA-2oceA:
undetectable		 4m2xA-2oceA:
12.08
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  11
ASP A  32
PHE A  36
LEU A  67
TYR A 119
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.1A)
MTX  A 605 ( 4.4A)
None
 0.61A 4m2xA-2oipA:
21.0		 4m2xA-2oipA:
17.22
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.
2oy4 NEUTROPHIL
COLLAGENASE

(Homo sapiens) 		PF00413
(Peptidase_M10) 		5 ILE A 138
ALA A 163
PHE A 199
LEU A 191
ILE A 140
 None
 0.96A 4m2xA-2oy4A:
undetectable		 4m2xA-2oy4A:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vd9 ALANINE RACEMASE

(Bacillus
anthracis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ILE A  36
ALA A  56
ILE A  19
LEU A 246
ILE A  26
 None
None
None
MLY  A 245 ( 4.1A)
MLY  A  27 ( 3.7A)
 0.96A 4m2xA-2vd9A:
undetectable		 4m2xA-2vd9A:
17.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		9 ALA A  11
ILE A  24
ASP A  31
PHE A  35
LEU A  54
PRO A  55
LEU A  61
ILE A 102
TYR A 108
 VG9  A1168 ( 3.8A)
NDP  A1169 ( 4.4A)
VG9  A1168 (-3.0A)
VG9  A1168 (-3.9A)
None
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
 0.33A 4m2xA-2w3wA:
28.2		 4m2xA-2w3wA:
68.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		8 ASP A  23
ILE A  24
PHE A  35
LEU A  54
PRO A  55
LEU A  61
ILE A 102
TYR A 108
 None
NDP  A1169 ( 4.4A)
VG9  A1168 (-3.9A)
None
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
 0.69A 4m2xA-2w3wA:
28.2		 4m2xA-2w3wA:
68.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w55 XANTHINE
DEHYDROGENASE

(Rhodobacter
capsulatus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ASP B 756
PHE B 166
LEU B 675
LEU B 351
ILE B 168
 None
 1.00A 4m2xA-2w55B:
undetectable		 4m2xA-2w55B:
11.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ILE A   5
ALA A   7
ASP A  27
LEU A  54
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
 0.49A 4m2xA-2w9sA:
23.0		 4m2xA-2w9sA:
31.93
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.
2z65 TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13855
(LRR_8) 		6 ILE A 218
ILE A 255
PHE A 223
LEU A 208
LEU A 195
ILE A 190
 None
 1.44A 4m2xA-2z65A:
undetectable		 4m2xA-2z65A:
16.13
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.
2zcn BIOFILM OPERON
ICAABCD HTH-TYPE
NEGATIVE
TRANSCRIPTIONAL
REGULATOR ICAR

(Staphylococcus
epidermidis) 		PF00440
(TetR_N) 		5 ILE A 141
PHE A 140
LEU A 179
LEU A  76
ILE A 144
 None
 0.97A 4m2xA-2zcnA:
undetectable		 4m2xA-2zcnA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ILE A  14
ALA A  16
ASP A  54
PHE A  58
PRO A 113
LEU A 119
TYR A 170
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.3A)
None
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
 0.54A 4m2xA-3dg8A:
19.2		 4m2xA-3dg8A:
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.
3drx BTB/POZ
DOMAIN-CONTAINING
PROTEIN KCTD5

(Homo sapiens) 		PF02214
(BTB_2) 		5 ASP A  65
ILE A 131
PHE A  99
LEU A  62
LEU A  48
 None
 0.98A 4m2xA-3drxA:
undetectable		 4m2xA-3drxA:
24.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f67 PUTATIVE
DIENELACTONE
HYDROLASE

(Klebsiella
pneumoniae) 		PF01738
(DLH) 		5 ALA A 130
ASP A  90
ARG A 124
LEU A  64
ILE A  33
 None
 1.01A 4m2xA-3f67A:
undetectable		 4m2xA-3f67A:
23.85
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.
3fiu NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Francisella
tularensis) 		PF02540
(NAD_synthase) 		5 ILE A 187
ILE A  34
LEU A 166
PRO A 165
ILE A  40
 None
None
None
None
POP  A4001 (-4.9A)
 1.01A 4m2xA-3fiuA:
undetectable		 4m2xA-3fiuA:
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.
3gme POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 ILE A 216
ASP A 127
ILE A 128
ARG A 153
ILE A 149
 None
 1.03A 4m2xA-3gmeA:
undetectable		 4m2xA-3gmeA:
15.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF03598
(CdhC) 		5 ILE M 159
ALA M 163
LEU M 194
LEU M 200
ILE M 185
 None
 1.00A 4m2xA-3i04M:
undetectable		 4m2xA-3i04M:
13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i36 VASCULAR PROTEIN
TYROSINE PHOSPHATASE
1

(Rattus
norvegicus) 		PF00102
(Y_phosphatase) 		5 ILE A1135
ILE A1114
LEU A1017
LEU A1094
ILE A1131
 None
 0.93A 4m2xA-3i36A:
undetectable		 4m2xA-3i36A:
18.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		6 ILE A   6
ALA A   8
PHE A  32
LEU A  55
ILE A  96
TYR A 102
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.2A)
None
 0.47A 4m2xA-3ia4A:
22.9		 4m2xA-3ia4A:
35.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j7y MS30

(Homo sapiens) 		PF00829
(Ribosomal_L21p) 		5 ILE s 264
ILE s 329
PHE s 109
PRO s  95
LEU s 273
 None
 0.99A 4m2xA-3j7ys:
undetectable		 4m2xA-3j7ys:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
ILE A  29
ASP A  37
LEU A  80
TYR A 129
 NAP  A 512 (-3.7A)
NAP  A 512 (-4.5A)
None
None
None
 0.47A 4m2xA-3kjrA:
19.9		 4m2xA-3kjrA:
15.40
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.
3lao ENOYL-COA
HYDRATASE/ISOMERASE

(Pseudomonas
aeruginosa) 		PF00378
(ECH_1) 		5 ALA A  68
ASP A  34
PHE A  66
LEU A  41
LEU A  59
 None
 0.81A 4m2xA-3laoA:
undetectable		 4m2xA-3laoA:
21.13
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.
3lu2 LMO2462 PROTEIN

(Listeria
monocytogenes) 		PF01244
(Peptidase_M19) 		5 ILE A 189
LEU A 306
PRO A 307
LEU A  90
ILE A   4
 None
 0.91A 4m2xA-3lu2A:
undetectable		 4m2xA-3lu2A:
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.
3o7b RIBOSOME BIOGENESIS
NEP1 RNA
METHYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF03587
(EMG1) 		5 ILE A 120
ASP A  74
ARG A 102
LEU A  69
ILE A 128
 None
 1.00A 4m2xA-3o7bA:
undetectable		 4m2xA-3o7bA:
27.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oo9 ABC TRANSPORTER
BINDING PROTEIN ACBH

(Actinoplanes
sp. SE50/110) 		PF01547
(SBP_bac_1) 		5 ALA A 179
ASP A 361
PHE A 250
PRO A 288
ILE A 185
 None
GOL  A 414 ( 4.4A)
None
None
None
 0.91A 4m2xA-3oo9A:
undetectable		 4m2xA-3oo9A:
17.27
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.
3qll CITRATE LYASE

(Yersinia pestis) 		PF03328
(HpcH_HpaI) 		6 ILE A  81
ALA A  79
ASP A  37
LEU A  97
LEU A 111
ILE A  84
 None
 1.05A 4m2xA-3qllA:
undetectable		 4m2xA-3qllA:
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.
3r6k VP1 PROTEIN

(Norwalk virus) 		PF08435
(Calici_coat_C) 		5 ILE A 453
PHE A 429
LEU A 229
PRO A 230
ILE A 492
 None
None
None
EDO  A 527 ( 4.8A)
None
 0.95A 4m2xA-3r6kA:
undetectable		 4m2xA-3r6kA:
23.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		9 ALA A  34
ILE A  47
ASP A  54
PHE A  58
LEU A  90
PRO A  91
LEU A  97
ILE A 160
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 ( 4.5A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
WRA  A 602 (-4.8A)
WRA  A 602 (-4.3A)
None
WRA  A 602 ( 3.9A)
None
 0.40A 4m2xA-3rg9A:
19.2		 4m2xA-3rg9A:
32.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3swx PROBABLE ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacteroides
abscessus) 		PF00378
(ECH_1) 		5 ALA A  64
ASP A  30
PHE A  62
LEU A  37
LEU A  55
 None
 0.87A 4m2xA-3swxA:
undetectable		 4m2xA-3swxA:
21.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		6 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LEU A  55
ILE A  96
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 ( 4.2A)
 0.27A 4m2xA-3tq9A:
23.0		 4m2xA-3tq9A:
35.48
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.
3txo PROTEIN KINASE C ETA
TYPE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		5 ILE A 464
ALA A 466
ASP A 488
ARG A 625
PRO A 629
 None
 1.02A 4m2xA-3txoA:
undetectable		 4m2xA-3txoA:
20.19
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A  14
ASP A  54
PHE A  58
PRO A 113
LEU A 119
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
None
None
1CY  A 609 ( 4.0A)
None
 0.61A 4m2xA-3um6A:
19.1		 4m2xA-3um6A:
15.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 ALA A   8
ASP A  28
PHE A  32
PRO A  58
LEU A  64
ILE A 111
TYR A 117
 None
 0.72A 4m2xA-3vcoA:
17.3		 4m2xA-3vcoA:
31.75
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.
3wiw GLYCOSYL HYDROLASE
FAMILY 88

(Pedobacter
heparinus) 		PF07470
(Glyco_hydro_88) 		5 ALA A 308
ASP A 287
ILE A 289
ARG A 304
ASP A 305
 None
 1.02A 4m2xA-3wiwA:
undetectable		 4m2xA-3wiwA:
17.91
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.
4a4z ANTIVIRAL HELICASE
SKI2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT)
PF13234
(rRNA_proc-arch) 		5 ALA A 761
ILE A 510
LEU A 518
LEU A 621
ILE A 737
 None
 0.96A 4m2xA-4a4zA:
undetectable		 4m2xA-4a4zA:
9.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aby DNA REPAIR PROTEIN
RECN

(Deinococcus
radiodurans) 		PF02463
(SMC_N) 		6 ALA A  65
ILE A  45
PHE A  59
LEU A  37
LEU A  52
ILE A  70
 None
 1.24A 4m2xA-4abyA:
undetectable		 4m2xA-4abyA:
18.86
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.
4ah6 ASPARTATE--TRNA
LIGASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 ASP A 586
ILE A 589
ARG A 190
LEU A 583
LEU A 300
 None
 1.03A 4m2xA-4ah6A:
undetectable		 4m2xA-4ah6A:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4am3 POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Caulobacter
vibrioides) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 ILE A 216
ASP A 127
ILE A 128
ARG A 153
ILE A 149
 None
 1.02A 4m2xA-4am3A:
undetectable		 4m2xA-4am3A:
12.88
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.
4e09 PLASMID PARTITIONING
PROTEIN PARF

(Escherichia
coli) 		PF01656
(CbiA) 		6 ILE A 204
ALA A 133
ILE A 103
PHE A 162
LEU A 197
ILE A 201
 None
 1.29A 4m2xA-4e09A:
4.2		 4m2xA-4e09A:
23.08
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.
4fvl COLLAGENASE 3

(Homo sapiens) 		PF00045
(Hemopexin)
PF00413
(Peptidase_M10) 		5 ILE A 163
ALA A 188
PHE A 224
LEU A 216
ILE A 165
 None
 0.99A 4m2xA-4fvlA:
undetectable		 4m2xA-4fvlA:
17.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		7 ILE X  10
ALA X  12
PHE X  36
PRO X  66
LEU X  72
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 (-4.8A)
None
TOP  X 301 ( 4.0A)
None
 0.57A 4m2xA-4g8zX:
19.8		 4m2xA-4g8zX:
30.54
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.
4ga6 PUTATIVE THYMIDINE
PHOSPHORYLASE

(Thermococcus
kodakarensis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		6 ILE A  91
ASP A 244
ILE A 245
PHE A 125
LEU A 142
ILE A 108
 None
 1.50A 4m2xA-4ga6A:
undetectable		 4m2xA-4ga6A:
16.34
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.
4gps KLLA0E02245P

(Kluyveromyces
lactis) 		no annotation 5 ILE A 168
PHE A 361
LEU A  63
LEU A 255
ILE A 165
 None
 1.00A 4m2xA-4gpsA:
undetectable		 4m2xA-4gpsA:
15.77
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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		6 ILE A   9
ALA A  11
PHE A  36
LEU A  69
ILE A 112
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
None
14Q  A 202 ( 4.2A)
None
 0.61A 4m2xA-4h96A:
17.0		 4m2xA-4h96A:
29.74
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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		6 ILE A   9
PHE A  36
PRO A  63
LEU A  69
ILE A 112
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 (-4.0A)
None
None
14Q  A 202 ( 4.2A)
None
 0.56A 4m2xA-4h96A:
17.0		 4m2xA-4h96A:
29.74
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		7 ILE A   9
ALA A  11
PHE A  36
PRO A  63
LEU A  69
ILE A 121
TYR A 127
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-3.8A)
14Q  A 302 (-4.4A)
None
14Q  A 302 ( 4.0A)
None
 0.50A 4m2xA-4h98A:
18.3		 4m2xA-4h98A:
27.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ija XYLR PROTEIN

(Staphylococcus
aureus) 		PF00480
(ROK)
PF01047
(MarR) 		5 ILE A 250
ALA A 255
PHE A 251
LEU A 298
ILE A 247
 None
None
None
GOL  A 502 (-4.3A)
GOL  A 502 ( 4.4A)
 1.02A 4m2xA-4ijaA:
undetectable		 4m2xA-4ijaA:
16.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ILE A   5
ALA A   7
ASP A  27
PHE A  31
LEU A  55
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
 0.49A 4m2xA-4m7vA:
21.9		 4m2xA-4m7vA:
34.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nnb OBCA, OXALATE
BIOSYNTHETIC
COMPONENT A

(Burkholderia
glumae) 		PF05853
(BKACE) 		5 ILE A 352
ASP A 466
ILE A 444
ARG A 436
LEU A 364
 None
 0.98A 4m2xA-4nnbA:
undetectable		 4m2xA-4nnbA:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nv0 7-METHYLGUANOSINE
PHOSPHATE-SPECIFIC
5'-NUCLEOTIDASE

(Drosophila
melanogaster) 		PF05822
(UMPH-1) 		5 ILE A 265
ILE A  60
LEU A 160
LEU A 300
ILE A 241
 None
 0.96A 4m2xA-4nv0A:
undetectable		 4m2xA-4nv0A:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
ASP A  27
PHE A  31
ILE A  94
TYR A 100
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.1A)
MTX  A 201 ( 4.3A)
None
 0.25A 4m2xA-4p68A:
22.9		 4m2xA-4p68A:
34.52
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.
4r86 RND FAMILY
AMINOGLYCOSIDE/MULTI
DRUG EFFLUX PUMP

(Salmonella
enterica) 		PF00873
(ACR_tran) 		5 PHE A 108
LEU A 132
PRO A 131
LEU A 276
ILE A 106
 None
 0.94A 4m2xA-4r86A:
undetectable		 4m2xA-4r86A:
21.63
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.
4xeq TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Desulfovibrio
vulgaris) 		PF03480
(DctP) 		5 ALA A  37
LEU A 259
PRO A 260
LEU A 267
ILE A  40
 None
 0.89A 4m2xA-4xeqA:
undetectable		 4m2xA-4xeqA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yc6 CYCLIN-DEPENDENT
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 281
ILE A 187
LEU A 129
LEU A 144
ILE A 112
 None
 0.95A 4m2xA-4yc6A:
undetectable		 4m2xA-4yc6A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dt5 BETA-GLUCOSIDASE

(Exiguobacterium
antarcticum) 		PF00232
(Glyco_hydro_1) 		5 ILE A 346
ILE A 158
PHE A 289
PRO A 163
ILE A 291
 None
 1.02A 4m2xA-5dt5A:
undetectable		 4m2xA-5dt5A:
15.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
PHE A  48
LEU A  71
ILE A 111
TYR A 117
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
None
None
None
 0.48A 4m2xA-5dxvA:
13.6		 4m2xA-5dxvA:
30.05
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.
5ed8 MKIAA0668 PROTEIN

(Mus musculus) 		PF07738
(Sad1_UNC) 		6 ILE A 474
ALA A 517
PHE A 559
LEU A 563
PRO A 562
LEU A 467
 None
 1.43A 4m2xA-5ed8A:
undetectable		 4m2xA-5ed8A:
23.28
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.
5ffj ENDONUCLEASE AND
METHYLASE LLAGI

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII) 		5 ILE A1217
ALA A1211
ARG A1375
LEU A1408
ILE A1428
 None
 0.94A 4m2xA-5ffjA:
undetectable		 4m2xA-5ffjA:
7.85
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.
5g4q DNA POLYMERASE III
SUBUNIT BETA

(Helicobacter
pylori) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 ILE A 127
ILE A 121
PHE A 217
LEU A 237
LEU A 199
 None
 1.01A 4m2xA-5g4qA:
undetectable		 4m2xA-5g4qA:
18.60
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT ALPHA
T-COMPLEX PROTEIN 1
SUBUNIT DELTA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 ILE d  48
ILE d  35
LEU a  13
LEU a  15
ILE a 545
 None
 0.98A 4m2xA-5gw5d:
undetectable		 4m2xA-5gw5d:
13.77
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.
5ixq RECEPTOR-LIKE
PROTEIN KINASE 5

(Arabidopsis
thaliana) 		PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 ILE A 443
ILE A 477
LEU A 504
LEU A 506
ILE A 467
 None
 0.99A 4m2xA-5ixqA:
undetectable		 4m2xA-5ixqA:
13.88
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.
5iy5 CYTOCHROME C OXIDASE
SUBUNIT 3

(Bos taurus) 		PF00510
(COX3) 		5 ALA C 200
ILE C 256
PHE C 198
LEU C 124
PRO C 123
 None
None
PEK  C 303 (-3.8A)
None
None
 1.02A 4m2xA-5iy5C:
undetectable		 4m2xA-5iy5C:
21.84
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.
5jta NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 576
ASP A 557
ILE A 493
PHE A 574
LEU A 598
 None
 1.01A 4m2xA-5jtaA:
undetectable		 4m2xA-5jtaA:
12.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jwr CIRCADIAN CLOCK
PROTEIN KINASE KAIC

(Thermosynechococcus
elongatus) 		PF06745
(ATPase) 		6 ILE A 244
ILE A 223
PHE A  56
LEU A  37
PRO A  38
ILE A  26
 None
 1.48A 4m2xA-5jwrA:
undetectable		 4m2xA-5jwrA:
25.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ohs -

(-) 		no annotation 5 ALA A 177
ARG A 174
LEU A  20
LEU A 102
ILE A 207
 None
 0.94A 4m2xA-5ohsA:
undetectable		 4m2xA-5ohsA:
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
ASP A  31
PHE A  35
PRO A  88
LEU A  94
TYR A 157
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
73X  A 704 (-3.2A)
73X  A 704 (-4.0A)
None
None
 0.51A 4m2xA-5t0lA:
20.0		 4m2xA-5t0lA:
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.
5th6 MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		5 ILE A 166
ALA A 191
PHE A 403
LEU A 395
ILE A 168
 None
 0.95A 4m2xA-5th6A:
undetectable		 4m2xA-5th6A:
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.
5uf2 RIBOSE-5-PHOSPHATE
ISOMERASE A

(Neisseria
gonorrhoeae) 		PF06026
(Rib_5-P_isom_A) 		7 ILE A 190
ALA A 136
ILE A 169
ARG A 158
PRO A 131
LEU A 175
ILE A 187
 None
None
None
None
None
EDO  A 309 (-4.4A)
None
 1.45A 4m2xA-5uf2A:
undetectable		 4m2xA-5uf2A:
23.88
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.
5van BETA-KLOTHO

(Homo sapiens) 		no annotation 5 ILE A 412
ILE A 237
PHE A 370
PRO A 242
LEU A 327
 None
 1.00A 4m2xA-5vanA:
undetectable		 4m2xA-5vanA:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wi9 -

(-) 		no annotation 5 ILE A 412
ILE A 237
PHE A 370
PRO A 242
LEU A 327
 None
 1.03A 4m2xA-5wi9A:
undetectable		 4m2xA-5wi9A:
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.
5zcy PROTEIN TRANSLATION
FACTOR SUI1 HOMOLOG

(Pyrococcus
horikoshii) 		no annotation 5 ILE A  96
ARG A  71
LEU A  74
LEU A  57
ILE A  82
 None
 1.02A 4m2xA-5zcyA:
undetectable		 4m2xA-5zcyA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bhu MULTIDRUG
RESISTANCE-ASSOCIATE
D PROTEIN 1

(Bos taurus) 		no annotation 5 ILE A1467
ALA A1405
LEU A1450
LEU A1452
ILE A1471
 None
 0.99A 4m2xA-6bhuA:
undetectable		 4m2xA-6bhuA:
0.00
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.
6bq1 PHOSPHATIDYLINOSITOL
4-KINASE III ALPHA
(PI4KA)

(Homo sapiens) 		no annotation 5 ILE A1034
ASP A 987
ARG A1060
LEU A1017
ILE A1041
 None
 1.01A 4m2xA-6bq1A:
undetectable		 4m2xA-6bq1A:
0.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 10 ILE A   6
ALA A   8
ILE A  21
ASP A  28
PHE A  32
LEU A  51
PRO A  52
LEU A  58
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
None
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.38A 4m2xA-6cxmA:
26.8		 4m2xA-6cxmA:
47.71