SIMILAR PATTERNS OF AMINO ACIDS FOR 1DLS_A_MTXA188_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.
1aor ALDEHYDE FERREDOXIN
OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 ILE A  61
ALA A 161
PRO A 119
ASN A 197
LEU A  13
 None
 1.22A 1dlsA-1aorA:
undetectable		 1dlsA-1aorA:
14.43
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) 		9 ILE A   7
ALA A   9
GLU A  30
SER A  59
ILE A  60
PRO A  61
LEU A  67
ARG A  70
TYR A 121
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-3.0A)
NAP  A 191 ( 4.1A)
None
None
None
None
None
 0.53A 1dlsA-1dr6A:
32.0		 1dlsA-1dr6A:
74.19
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) 		9 ILE A   7
ALA A   9
SER A  59
ILE A  60
PRO A  61
ASN A  64
LEU A  67
ARG A  70
TYR A 121
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.1A)
None
None
None
None
None
None
 0.67A 1dlsA-1dr6A:
32.0		 1dlsA-1dr6A:
74.19
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.
1ekq HYDROXYETHYLTHIAZOLE
KINASE

(Bacillus
subtilis) 		PF02110
(HK) 		5 ILE A 127
ALA A 125
ILE A  66
ASN A  65
LEU A  93
 None
 1.18A 1dlsA-1ekqA:
undetectable		 1dlsA-1ekqA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gng GLYCOGEN SYNTHASE
KINASE-3 BETA

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 177
SER A 242
ILE A 182
ASN A 186
LEU A 198
 None
 1.04A 1dlsA-1gngA:
undetectable		 1dlsA-1gngA:
20.87
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.
1gyu ADAPTER-RELATED
PROTEIN COMPLEX 1
GAMMA 1 SUBUNIT

(Mus musculus) 		PF02883
(Alpha_adaptinC2) 		5 ILE A 735
ALA A 709
PHE A 816
PRO A 755
LEU A 760
 None
 1.23A 1dlsA-1gyuA:
undetectable		 1dlsA-1gyuA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hjq BETA-1,4-GALACTANASE

(Humicola
insolens) 		PF07745
(Glyco_hydro_53) 		5 ILE A 125
ALA A  69
ASN A  58
LEU A  59
ARG A 119
 None
 1.19A 1dlsA-1hjqA:
undetectable		 1dlsA-1hjqA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hl2 N-ACETYLNEURAMINATE
LYASE SUBUNIT

(Escherichia
coli) 		PF00701
(DHDPS) 		5 ILE A 247
GLU A 192
ILE A 212
ASN A 211
LEU A 255
 None
 1.20A 1dlsA-1hl2A:
undetectable		 1dlsA-1hl2A:
19.74
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.
1j2b ARCHAEOSINE
TRNA-GUANINE
TRANSGLYCOSYLASE

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF01702
(TGT)
PF14809
(TGT_C1)
PF14810
(TGT_C2) 		5 PHE A 417
GLN A 419
ILE A 403
LEU A 368
TYR A 353
 None
G  C 909 ( 4.1A)
None
None
None
 1.23A 1dlsA-1j2bA:
undetectable		 1dlsA-1j2bA:
16.88
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.
1lq2 BETA-D-GLUCAN
GLUCOHYDROLASE
ISOENZYME EXO1

(Hordeum vulgare) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 ILE A 289
ALA A 263
ILE A 337
PRO A 338
LEU A 328
 None
 1.21A 1dlsA-1lq2A:
undetectable		 1dlsA-1lq2A:
15.73
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.
1q0z ACLACINOMYCIN
METHYLESTERASE

(Streptomyces
purpurascens) 		PF00561
(Abhydrolase_1) 		5 ILE A 107
ALA A  82
PRO A  74
LEU A 222
TYR A  57
 None
 1.22A 1dlsA-1q0zA:
undetectable		 1dlsA-1q0zA:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rq1 HYPOTHETICAL 65.0
KDA PROTEIN IN
COX14-COS3
INTERGENIC REGION
PRECURSOR

(Saccharomyces
cerevisiae) 		PF04137
(ERO1) 		5 ALA A 281
PHE A 403
ILE A  62
ASN A  63
LEU A  59
 None
 1.11A 1dlsA-1rq1A:
undetectable		 1dlsA-1rq1A:
20.26
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.
1rr9 ATP-DEPENDENT
PROTEASE LA

(Escherichia
coli) 		PF05362
(Lon_C) 		5 ALA A 725
ILE A 736
PRO A 737
ASN A 740
LEU A 744
 None
 0.97A 1dlsA-1rr9A:
undetectable		 1dlsA-1rr9A:
22.48
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) 		12 ILE A   7
ALA A   9
GLU A  30
PHE A  31
GLN A  35
SER A  59
ILE A  60
PRO A  61
ASN A  64
LEU A  67
ARG A  70
TYR A 121
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-3.0A)
MTX  A 187 (-4.3A)
MTX  A 187 (-3.7A)
NDP  A 188 ( 3.8A)
MTX  A 187 ( 4.2A)
MTX  A 187 (-4.8A)
MTX  A 187 (-3.6A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
 0.50A 1dlsA-1u70A:
31.8		 1dlsA-1u70A:
89.25
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) 		10 ILE A   7
ALA A   9
GLU A  30
SER A  59
ILE A  60
PRO A  61
ASN A  64
LEU A  67
ARG A  70
TYR A 121
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.4A)
MXA  A 187 (-4.5A)
None
None
None
 0.33A 1dlsA-1u71A:
34.2		 1dlsA-1u71A:
99.46
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) 		6 ILE A   7
PHE A  31
SER A  59
ILE A  60
PRO A  61
TYR A 121
 MXA  A 187 (-4.5A)
MXA  A 187 (-4.3A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.4A)
None
 1.23A 1dlsA-1u71A:
34.2		 1dlsA-1u71A:
99.46
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.
1uf2 CORE PROTEIN P3

(Rice dwarf
virus) 		PF09231
(RDV-p3) 		5 ILE A 541
ALA A 361
ILE A 654
LEU A1010
ARG A 523
 None
 1.25A 1dlsA-1uf2A:
undetectable		 1dlsA-1uf2A:
10.84
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.
1xg2 PECTINESTERASE
INHIBITOR

(Actinidia
chinensis) 		PF04043
(PMEI) 		5 ILE B  82
ALA B 107
GLN B  50
SER B  40
ILE B  43
 None
 1.24A 1dlsA-1xg2B:
undetectable		 1dlsA-1xg2B:
17.95
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) 		5 ILE A   5
ALA A   7
ILE A  50
LEU A  54
ARG A  57
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.58A 1dlsA-1zdrA:
20.5		 1dlsA-1zdrA:
32.98
Potential target for repurposing, i.e. matched protein structure has less than 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
SER A 120
ILE A 121
PRO A 122
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.56A 1dlsA-2blbA:
22.5		 1dlsA-2blbA:
29.15
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.
2dpy FLAGELLUM-SPECIFIC
ATP SYNTHASE

(Salmonella
enterica) 		PF00006
(ATP-synt_ab) 		5 ALA A 285
GLU A 290
ILE A 339
PRO A 338
LEU A 305
 None
 1.13A 1dlsA-2dpyA:
undetectable		 1dlsA-2dpyA:
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.
2fna CONSERVED
HYPOTHETICAL PROTEIN

(Sulfolobus
solfataricus) 		PF01637
(ATPase_2) 		5 ILE A 101
ALA A  97
GLN A  81
ILE A  58
LEU A  80
 None
 1.24A 1dlsA-2fnaA:
undetectable		 1dlsA-2fnaA:
19.60
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
SER A  83
ILE A  84
PRO A  85
LEU A  91
ARG A  94
TYR A 160
 NAP  A 523 (-3.7A)
NAP  A 523 ( 4.4A)
None
None
None
None
None
 0.52A 1dlsA-2h2qA:
22.0		 1dlsA-2h2qA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hr7 INSULIN RECEPTOR

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		5 ALA A 327
PHE A 381
SER A 373
ILE A 370
LEU A 368
 None
 1.14A 1dlsA-2hr7A:
undetectable		 1dlsA-2hr7A:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ia0 PUTATIVE HTH-TYPE
TRANSCRIPTIONAL
REGULATOR PF0864

(Pyrococcus
furiosus) 		PF13412
(HTH_24) 		5 ALA A  97
SER A 134
ILE A 135
PRO A 136
LEU A  73
 None
 1.25A 1dlsA-2ia0A:
undetectable		 1dlsA-2ia0A:
21.65
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  11
SER A  61
ILE A  62
LEU A  67
ARG A  70
TYR A 119
 MTX  A 605 ( 3.6A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
 0.65A 1dlsA-2oipA:
23.0		 1dlsA-2oipA:
17.69
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.
2qf7 PYRUVATE CARBOXYLASE
PROTEIN

(Rhizobium etli) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ILE A 381
ALA A 376
GLN A 351
ILE A 442
LEU A 350
 None
 1.11A 1dlsA-2qf7A:
undetectable		 1dlsA-2qf7A:
10.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		6 ALA A   8
GLU A  28
ILE A  51
LEU A  55
ARG A  58
TYR A 102
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
 0.63A 1dlsA-2qk8A:
21.5		 1dlsA-2qk8A:
33.33
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.
2rgn RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 25

(Homo sapiens) 		PF00621
(RhoGEF) 		5 ILE B 458
ALA B 456
PHE B 361
ILE B 388
LEU B 432
 None
 1.22A 1dlsA-2rgnB:
undetectable		 1dlsA-2rgnB:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2veo LIPASE A

(Moesziomyces
antarcticus) 		PF03583
(LIP) 		5 ILE A 150
ALA A 148
ILE A 301
PRO A 300
LEU A 305
 PG4  A1443 ( 4.1A)
None
None
None
None
 1.11A 1dlsA-2veoA:
undetectable		 1dlsA-2veoA:
17.65
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) 		6 ALA A  11
SER A  53
PRO A  55
LEU A  61
ARG A  64
TYR A 108
 VG9  A1168 ( 3.8A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
 0.74A 1dlsA-2w3wA:
21.9		 1dlsA-2w3wA:
32.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
 0.85A 1dlsA-2w9sA:
21.0		 1dlsA-2w9sA:
31.91
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.
2xpz LEUKOTRIENE A-4
HYDROLASE

(Saccharomyces
cerevisiae) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 ALA A 243
GLN A  92
ILE A 155
ASN A 154
LEU A 153
 None
 1.12A 1dlsA-2xpzA:
undetectable		 1dlsA-2xpzA:
13.83
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.
2y2c 1,6-ANHYDRO-N-ACETYL
MURAMYL-L-ALANINE
AMIDASE AMPD

(Citrobacter
freundii) 		PF01510
(Amidase_2) 		5 ILE A 113
ALA A  74
SER A 100
ILE A 157
ASN A 156
 None
 1.02A 1dlsA-2y2cA:
undetectable		 1dlsA-2y2cA:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a31 PROBABLE
THREONYL-TRNA
SYNTHETASE 1

(Aeropyrum
pernix) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 ALA A  13
PHE A  44
SER A 316
ILE A 317
LEU A  55
 None
 1.20A 1dlsA-3a31A:
undetectable		 1dlsA-3a31A:
19.21
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.
3aq1 THERMOSOME SUBUNIT

(Methanococcoides
burtonii) 		PF00118
(Cpn60_TCP1) 		5 ILE B 273
ALA B 269
SER B 215
PRO B 217
ASN B 218
 None
 1.10A 1dlsA-3aq1B:
undetectable		 1dlsA-3aq1B:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		8 ILE A  14
ALA A  16
SER A 111
ILE A 112
PRO A 113
LEU A 119
ARG A 122
TYR A 170
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.8A)
None
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
 0.47A 1dlsA-3dg8A:
23.1		 1dlsA-3dg8A:
25.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eb0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		5 ILE A 162
SER A 227
ILE A 167
ASN A 171
LEU A 183
 None
None
None
DRK  A 384 ( 4.6A)
None
 1.02A 1dlsA-3eb0A:
undetectable		 1dlsA-3eb0A:
20.84
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.
3egl DEGV FAMILY PROTEIN

(Corynebacterium
glutamicum) 		PF02645
(DegV) 		5 ILE A 240
PHE A 171
SER A 149
ILE A 146
LEU A 140
 PLM  A 275 ( 4.4A)
None
MLY  A 148 ( 4.2A)
None
None
 1.21A 1dlsA-3eglA:
undetectable		 1dlsA-3eglA:
19.05
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
SER X  49
ILE X  50
LEU X  54
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
None
None
None
 0.95A 1dlsA-3i8aX:
20.7		 1dlsA-3i8aX:
28.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		8 ILE A   6
ALA A   8
GLU A  28
SER A  50
ILE A  51
LEU A  55
ARG A  58
TYR A 102
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-2.9A)
NDP  A 163 ( 3.8A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
None
 0.71A 1dlsA-3ia4A:
21.2		 1dlsA-3ia4A:
30.65
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.
3iqd OCTOPINE
DEHYDROGENASE

(Pecten maximus) 		PF02317
(Octopine_DH) 		5 GLU B 122
PHE B 200
ILE B 260
ASN B 267
LEU B 269
 None
 1.16A 1dlsA-3iqdB:
undetectable		 1dlsA-3iqdB:
19.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		5 ILE A   8
ALA A  10
GLU A  30
LEU A  58
ARG A  61
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 (-2.7A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
 0.48A 1dlsA-3ix9A:
21.5		 1dlsA-3ix9A:
32.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k5w CARBOHYDRATE KINASE

(Helicobacter
pylori) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		5 ALA A  30
SER A 125
ILE A 152
LEU A 182
TYR A 206
 None
 1.24A 1dlsA-3k5wA:
undetectable		 1dlsA-3k5wA:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  16
SER A  72
ILE A  73
PRO A  74
LEU A  80
ARG A  83
TYR A 129
 NAP  A 512 (-3.7A)
NAP  A 512 ( 4.2A)
None
None
None
None
None
 0.87A 1dlsA-3kjrA:
22.8		 1dlsA-3kjrA:
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.
3mmp RNA-DIRECTED RNA
POLYMERASE BETA
CHAIN

(Escherichia
virus Qbeta) 		no annotation 5 ILE G 135
PHE G 296
SER G 283
ILE G 320
LEU G 331
 None
 1.18A 1dlsA-3mmpG:
undetectable		 1dlsA-3mmpG:
14.63
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.
3mq4 METABOTROPIC
GLUTAMATE RECEPTOR 7

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 ILE A 154
SER A  42
ILE A  43
ASN A 361
LEU A  83
 None
 1.03A 1dlsA-3mq4A:
undetectable		 1dlsA-3mq4A:
20.00
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.
3ncf PROLACTIN RECEPTOR

(Homo sapiens) 		PF09067
(EpoR_lig-bind) 		5 ILE B 125
ALA B 110
ILE B 202
PRO B 203
LEU B 172
 None
 1.24A 1dlsA-3ncfB:
undetectable		 1dlsA-3ncfB:
20.43
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.
3o5c CYTOCHROME C551
PEROXIDASE

(Shewanella
oneidensis) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		5 ALA A 165
ILE A 118
PRO A 117
LEU A  52
TYR A 149
 None
None
HEM  A 401 (-4.2A)
None
None
 1.16A 1dlsA-3o5cA:
undetectable		 1dlsA-3o5cA:
19.57
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.
3p13 D-RIBOSE PYRANASE

(Staphylococcus
aureus) 		PF05025
(RbsD_FucU) 		5 ILE A  90
PHE A  53
GLN A  85
ILE A  75
ASN A  79
 None
 0.96A 1dlsA-3p13A:
undetectable		 1dlsA-3p13A:
20.97
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.
3q98 TRANSCARBAMYLASE

(Escherichia
coli) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ILE A  64
ALA A  88
ILE A 368
PRO A 365
LEU A 159
 None
 1.19A 1dlsA-3q98A:
undetectable		 1dlsA-3q98A:
19.39
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.
3qvm OLEI00960

(Oleispira
antarctica) 		PF00561
(Abhydrolase_1) 		5 ILE A 101
ALA A 114
ILE A 243
PRO A 244
ASN A 245
 None
 1.16A 1dlsA-3qvmA:
undetectable		 1dlsA-3qvmA:
21.45
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
SER A  89
PRO A  91
LEU A  97
ARG A 100
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 ( 4.2A)
WRA  A 602 (-4.3A)
None
None
None
 0.55A 1dlsA-3rg9A:
22.2		 1dlsA-3rg9A:
28.98
Potential target for repurposing, i.e. matched protein structure has less than 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 ILE A   6
ALA A   8
SER A  50
ILE A  51
LEU A  55
ARG A  58
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 0.65A 1dlsA-3tq9A:
21.6		 1dlsA-3tq9A:
29.00
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A  14
SER A 111
ILE A 112
PRO A 113
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
None
None
 0.56A 1dlsA-3um6A:
22.8		 1dlsA-3um6A:
13.82
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
SER A  56
ILE A  57
PRO A  58
LEU A  64
ARG A  67
TYR A 117
 None
 0.53A 1dlsA-3vcoA:
24.3		 1dlsA-3vcoA:
36.15
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 ALA A2109
PHE A2132
SER A2198
ILE A2199
LEU A2219
 None
 1.07A 1dlsA-3vkgA:
undetectable		 1dlsA-3vkgA:
4.77
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.
3zef PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		5 ILE B1400
ALA B1402
PHE B1312
ILE B1319
TYR B1389
 None
 1.07A 1dlsA-3zefB:
undetectable		 1dlsA-3zefB:
8.04
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.
4a3u NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Zymomonas
mobilis) 		PF00724
(Oxidored_FMN) 		5 ILE A 216
ALA A 157
SER A  54
ILE A  53
PRO A  23
 None
None
None
ACT  A1358 (-4.7A)
FMN  A1357 (-4.2A)
 1.16A 1dlsA-4a3uA:
undetectable		 1dlsA-4a3uA:
19.78
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.
4bhc METHYLATED-DNA--PROT
EIN-CYSTEINE
METHYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01035
(DNA_binding_1)
PF02870
(Methyltransf_1N) 		5 ILE A 123
ALA A  50
ILE A  11
PRO A  10
LEU A 149
 None
 1.24A 1dlsA-4bhcA:
undetectable		 1dlsA-4bhcA:
19.70
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.
4fbq DNA REPAIR AND
TELOMERE MAINTENANCE
PROTEIN NBS1,DNA
REPAIR PROTEIN RAD32
CHIMERIC PROTEIN

(Schizosaccharomyces
pombe) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		5 ILE A1340
SER A1324
ILE A1325
PRO A1326
ASN A1331
 None
 1.09A 1dlsA-4fbqA:
undetectable		 1dlsA-4fbqA:
17.38
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) 		10 ILE X  10
ALA X  12
GLU X  32
SER X  64
ILE X  65
PRO X  66
ASN X  69
LEU X  72
ARG X  75
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
None
None
None
 0.66A 1dlsA-4g8zX:
25.1		 1dlsA-4g8zX:
36.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
GLU A  32
SER A  61
ILE A  62
PRO A  63
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-2.8A)
14Q  A 202 (-3.9A)
14Q  A 202 ( 4.8A)
None
None
None
None
 0.87A 1dlsA-4h96A:
21.5		 1dlsA-4h96A:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
GLU A  32
SER A  61
ILE A  62
PRO A  63
LEU A  69
ARG A  72
TYR A 127
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-2.8A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
14Q  A 302 (-4.4A)
None
None
None
 0.57A 1dlsA-4h98A:
22.4		 1dlsA-4h98A:
37.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j6c CYTOCHROME P450
MONOOXYGENASE

(Nocardia
farcinica) 		PF00067
(p450) 		5 ILE A 253
ALA A 256
PHE A 375
ILE A 406
LEU A 133
 None
 1.17A 1dlsA-4j6cA:
undetectable		 1dlsA-4j6cA:
15.75
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.
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus) 		PF02128
(Peptidase_M36)
PF07504
(FTP) 		5 ALA B  48
ILE A 603
ASN A 599
LEU A 566
TYR B  45
 None
 1.12A 1dlsA-4k90B:
undetectable		 1dlsA-4k90B:
21.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
SER A  49
PRO A  51
LEU A  57
ARG A  60
TYR A 100
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
NDP  A 201 (-3.6A)
TMQ  A 202 (-4.2A)
None
None
None
 0.49A 1dlsA-4m2xA:
21.0		 1dlsA-4m2xA:
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.
4myc IRON-SULFUR CLUSTERS
TRANSPORTER ATM1,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 ILE A 274
SER A 240
ILE A 239
PRO A 238
LEU A 389
 None
 1.20A 1dlsA-4mycA:
undetectable		 1dlsA-4mycA:
15.79
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.
4nar PUTATIVE URONATE
ISOMERASE

(Thermotoga
maritima) 		PF09861
(DUF2088) 		5 ILE A 306
ALA A 271
PHE A 373
ILE A 188
PRO A 189
 None
 1.24A 1dlsA-4narA:
undetectable		 1dlsA-4narA:
17.12
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
SER A  49
ILE A  50
ARG A  57
TYR A 100
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.7A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
None
 0.59A 1dlsA-4p68A:
20.9		 1dlsA-4p68A:
31.91
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.
4qgr DEGT/DNRJ/ERYC1/STRS
AMINOTRANSFERASE

(Brucella
abortus) 		PF01041
(DegT_DnrJ_EryC1) 		5 ILE A 309
GLN A 359
PRO A 277
ASN A 267
LEU A 270
 None
 1.25A 1dlsA-4qgrA:
undetectable		 1dlsA-4qgrA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rv7 DIADENYLATE CYCLASE

(Listeria
monocytogenes) 		PF02457
(DisA_N) 		5 ILE A  54
ALA A  82
GLN A   9
ILE A 117
LEU A 153
 None
None
HEZ  A1003 (-4.2A)
None
HEZ  A1003 (-4.9A)
 1.21A 1dlsA-4rv7A:
undetectable		 1dlsA-4rv7A:
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.
4uop LIPOTEICHOIC ACID
PRIMASE

(Listeria
monocytogenes) 		PF00884
(Sulfatase) 		5 ILE A 488
GLU A 544
GLN A 269
ILE A 534
ASN A 505
 None
 1.11A 1dlsA-4uopA:
3.6		 1dlsA-4uopA:
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.
4zxb INSULIN RECEPTOR

(Homo sapiens) 		PF00041
(fn3)
PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		5 ALA E 327
PHE E 381
SER E 373
ILE E 370
LEU E 368
 None
 1.12A 1dlsA-4zxbE:
undetectable		 1dlsA-4zxbE:
11.96
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.
5b47 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
ALPHA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01558
(POR)
PF01855
(POR_N)
PF17147
(PFOR_II) 		5 ILE A 384
ALA A 411
SER A 263
ILE A 266
ASN A 269
 None
 1.21A 1dlsA-5b47A:
undetectable		 1dlsA-5b47A:
15.05
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.
5b7d LYSR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Vibrio
vulnificus) 		PF03466
(LysR_substrate) 		5 ILE A 152
ALA A 294
SER A 284
PRO A 282
LEU A 143
 None
 1.21A 1dlsA-5b7dA:
undetectable		 1dlsA-5b7dA:
24.15
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		5 ALA A   6
SER A  66
ILE A  67
LEU A  71
ARG A  74
 NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
 0.95A 1dlsA-5dxvA:
12.5		 1dlsA-5dxvA:
28.35
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
SER A  66
ILE A  67
LEU A  71
ARG A  74
TYR A 117
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
None
 0.62A 1dlsA-5dxvA:
12.5		 1dlsA-5dxvA:
28.35
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.
5e1v POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		no annotation 5 ILE B 198
ALA B  38
PHE B 191
GLN B 235
LEU B 180
 None
 1.19A 1dlsA-5e1vB:
undetectable		 1dlsA-5e1vB:
21.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ILE A   6
ALA A   8
SER A  50
ILE A  51
LEU A  55
TYR A 101
 None
 0.53A 1dlsA-5fdaA:
14.7		 1dlsA-5fdaA:
31.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ILE A   6
ALA A   8
SER A  50
LEU A  55
ARG A  58
TYR A 101
 None
 1.13A 1dlsA-5fdaA:
14.7		 1dlsA-5fdaA:
31.44
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.
5gpl PUTATIVE NUCLEOSOME
ASSEMBLY PROTEIN
C36B7.08C

(Schizosaccharomyces
pombe) 		PF00956
(NAP) 		5 ALA A 200
PHE A  49
ILE A  79
ASN A  78
LEU A  76
 None
 1.16A 1dlsA-5gplA:
undetectable		 1dlsA-5gplA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i6e ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF08326
(ACC_central) 		5 ILE A1347
GLN A1354
ILE A1427
LEU A1357
TYR A1080
 None
 1.17A 1dlsA-5i6eA:
undetectable		 1dlsA-5i6eA:
12.48
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.
5jta NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 579
PHE A 360
ILE A 635
PRO A 632
LEU A 316
 None
 1.04A 1dlsA-5jtaA:
undetectable		 1dlsA-5jtaA:
14.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 ILE A 226
ALA A 167
SER A  64
ILE A  63
PRO A  33
 None
None
None
None
FMN  A 400 (-3.7A)
 1.06A 1dlsA-5k1uA:
undetectable		 1dlsA-5k1uA:
18.89
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.
5kin TRYPTOPHAN SYNTHASE
BETA CHAIN

(Streptococcus
pneumoniae) 		PF00291
(PALP) 		5 ILE B 110
ALA B 112
ILE B  92
ASN B  93
LEU B  96
 None
None
LLP  B  91 ( 4.0A)
None
None
 1.24A 1dlsA-5kinB:
undetectable		 1dlsA-5kinB:
17.57
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.
5kp7 CURD

(Moorea
producens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 ALA A  16
PHE A 391
GLN A 389
SER A 374
TYR A  54
 None
 1.15A 1dlsA-5kp7A:
undetectable		 1dlsA-5kp7A:
20.14
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.
5m4a NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 579
PHE A 360
ILE A 635
PRO A 632
LEU A 316
 None
 1.06A 1dlsA-5m4aA:
undetectable		 1dlsA-5m4aA:
17.01
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.
5n81 TYROCIDINE SYNTHASE
1

(Brevibacillus
parabrevis) 		no annotation 5 ILE A 318
ALA A 320
PHE A 212
ILE A 224
ARG A 294
 None
8Q2  A 501 (-3.2A)
None
None
None
 1.20A 1dlsA-5n81A:
undetectable		 1dlsA-5n81A:
16.40
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.
5nof ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermococcus
kodakarensis) 		no annotation 5 ALA A 175
PHE A  22
ILE A 155
PRO A 154
LEU A  37
 None
 1.16A 1dlsA-5nofA:
undetectable		 1dlsA-5nofA:
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.
5oge GDP-MANNOSE
TRANSPORTER 1

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A 265
SER A 102
ASN A  51
LEU A  55
TYR A 281
 None
 1.05A 1dlsA-5ogeA:
undetectable		 1dlsA-5ogeA:
18.32
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  10
PHE A  32
SER A  86
PRO A  88
LEU A  94
ARG A  97
TYR A 157
 73X  A 704 (-4.0A)
73X  A 704 (-4.7A)
NDP  A 702 (-3.8A)
73X  A 704 (-4.0A)
None
None
None
 0.41A 1dlsA-5t0lA:
24.4		 1dlsA-5t0lA:
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.
5xom GLYCOSAMINOGLYCAN
XYLOSYLKINASE

(Hydra vulgaris) 		no annotation 5 ILE A 410
GLN A 394
SER A 289
ILE A 290
LEU A 351
 None
 1.18A 1dlsA-5xomA:
undetectable		 1dlsA-5xomA:
18.82
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		5 GLU C3140
PHE C3144
SER C3191
ILE C3193
LEU C3160
 None
 1.11A 1dlsA-5y3rC:
undetectable		 1dlsA-5y3rC:
3.86
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.
5yx9 SHORT TRANSIENT
RECEPTOR POTENTIAL
CHANNEL 6

(Homo sapiens) 		no annotation 5 ILE A 536
ALA A 539
ILE A 498
ASN A 460
LEU A 457
 None
 1.23A 1dlsA-5yx9A:
undetectable		 1dlsA-5yx9A:
14.04
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.
5z9z SMALL RNA DEGRADING
NUCLEASE 1

(Arabidopsis
thaliana) 		no annotation 5 ILE A 372
GLN A 333
ILE A 322
PRO A 323
LEU A 331
 None
 0.82A 1dlsA-5z9zA:
undetectable		 1dlsA-5z9zA:
16.85
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.
6bsz METABOTROPIC
GLUTAMATE RECEPTOR 8

(Homo sapiens) 		no annotation 5 ILE A 151
SER A  39
ILE A  40
ASN A 356
LEU A  80
 None
SO4  A 603 (-2.6A)
None
None
None
 1.10A 1dlsA-6bszA:
undetectable		 1dlsA-6bszA:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ILE A   6
ALA A   8
SER A  50
PRO A  52
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.46A 1dlsA-6cxmA:
20.4		 1dlsA-6cxmA:
20.86
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.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 831
PHE A 884
GLN A 555
SER A 879
LEU A 929
 None
 1.21A 1dlsA-6eojA:
undetectable		 1dlsA-6eojA:
8.27
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.
6f6s ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1

(Zaire
ebolavirus) 		no annotation 5 ALA A  82
GLU A 178
PHE A 160
LEU A 122
TYR A 232
 GOL  A 506 ( 4.7A)
GOL  A 506 (-4.0A)
None
None
None
 1.22A 1dlsA-6f6sA:
undetectable		 1dlsA-6f6sA:
21.02