SIMILAR PATTERNS OF AMINO ACIDS FOR 3IA4_D_MTXD164_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.
1brw PROTEIN (PYRIMIDINE
NUCLEOSIDE
PHOSPHORYLASE)

(Geobacillus
stearothermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 ILE A 148
ALA A 308
LEU A 313
PHE A 312
LEU A 124
 None
 1.14A 3ia4D-1brwA:
undetectable		 3ia4D-1brwA:
16.36
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
PHE A  31
ILE A  51
LEU A  55
ARG A  58
 None
 0.51A 3ia4D-1cz3A:
20.2		 3ia4D-1cz3A:
31.35
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
PHE A  34
SER A  59
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-3.0A)
HBI  A 198 (-4.1A)
NAP  A 191 ( 4.1A)
None
None
None
None
 0.85A 3ia4D-1dr6A:
21.1		 3ia4D-1dr6A:
32.64
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.
1g3n V-CYCLIN

(Human
gammaherpesvirus
8) 		PF00134
(Cyclin_N)
PF09080
(K-cyclin_vir_C) 		5 ILE C 196
ALA C 194
GLU C  29
LEU C  26
ILE C 227
 None
 1.17A 3ia4D-1g3nC:
undetectable		 3ia4D-1g3nC:
22.81
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 LEU A  37
PHE A  40
LYS A  41
LEU A  63
ARG A  66
 None
 1.02A 3ia4D-1juvA:
18.5		 3ia4D-1juvA:
27.27
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		5 ILE A 128
LEU A  35
SER A  74
ILE A 439
LEU A 352
 None
 1.20A 3ia4D-1k7hA:
undetectable		 3ia4D-1k7hA:
17.74
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.
1ljy MGP-40

(Capra hircus) 		PF00704
(Glyco_hydro_18) 		5 ALA A 159
MET A 223
SER A 174
ILE A 173
LEU A 129
 None
 1.04A 3ia4D-1ljyA:
undetectable		 3ia4D-1ljyA:
17.37
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.
1o6e CAPSID PROTEIN P40

(Human
gammaherpesvirus
4) 		PF00716
(Peptidase_S21) 		5 ILE A  73
LEU A 196
PHE A  78
SER A  84
ILE A  85
 None
 1.19A 3ia4D-1o6eA:
undetectable		 3ia4D-1o6eA:
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.
1r03 MITOCHONDRIAL
FERRITIN

(Homo sapiens) 		PF00210
(Ferritin) 		5 LEU A 133
PHE A 132
SER A  16
ILE A  20
LEU A  69
 None
 1.14A 3ia4D-1r03A:
undetectable		 3ia4D-1r03A:
22.33
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A  84
LEU A 246
SER A 353
ILE A 356
LEU A 414
 None
 1.12A 3ia4D-1tqyA:
undetectable		 3ia4D-1tqyA:
17.79
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) 		9 ILE A   7
ALA A   9
GLU A  30
PHE A  34
SER A  59
ILE A  60
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)
NDP  A 188 ( 3.8A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
 0.73A 3ia4D-1u70A:
20.7		 3ia4D-1u70A:
31.91
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) 		9 ILE A   7
ALA A   9
GLU A  30
PHE A  34
SER A  59
ILE A  60
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 (-3.9A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
None
None
 0.74A 3ia4D-1u71A:
20.9		 3ia4D-1u71A:
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.
1ug3 EUKARYOTIC PROTEIN
SYNTHESIS INITIATION
FACTOR 4G

(Homo sapiens) 		PF02020
(W2)
PF02847
(MA3) 		5 ILE A1251
ALA A1249
LEU A1270
PHE A1279
LEU A1305
 None
 1.22A 3ia4D-1ug3A:
undetectable		 3ia4D-1ug3A:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xoc OLIGOPEPTIDE-BINDING
PROTEIN APPA

(Bacillus
subtilis) 		PF00496
(SBP_bac_5) 		5 ILE A 158
ALA A 100
SER A  72
ILE A  73
LEU A 153
 None
 1.13A 3ia4D-1xocA:
undetectable		 3ia4D-1xocA:
16.35
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.
1yw1 PROTEIN YTNJ

(Bacillus
subtilis) 		PF00296
(Bac_luciferase) 		5 ILE A 404
ALA A  46
PHE A   9
SER A 272
ILE A 271
 None
 1.06A 3ia4D-1yw1A:
undetectable		 3ia4D-1yw1A:
15.79
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) 		7 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
LEU A  54
ARG A  57
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.52A 3ia4D-1zdrA:
25.0		 3ia4D-1zdrA:
46.99
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) 		7 ILE A   5
ALA A   7
PHE A  31
LYS A  32
ILE A  50
LEU A  54
ARG A  57
 None
None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.47A 3ia4D-1zdrA:
25.0		 3ia4D-1zdrA:
46.99
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		5 ALA A  15
PHE A  57
SER A 117
LEU A 128
ARG A 131
 CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-2.9A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
 1.06A 3ia4D-2blbA:
20.4		 3ia4D-2blbA:
24.29
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ALA A  15
PHE A  57
SER A 120
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.51A 3ia4D-2blbA:
20.4		 3ia4D-2blbA:
24.29
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ALA A  15
SER A 120
ILE A 121
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)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.89A 3ia4D-2blbA:
20.4		 3ia4D-2blbA:
24.29
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.
2ekc TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Aquifex
aeolicus) 		PF00290
(Trp_syntA) 		5 ILE A 109
GLU A  79
PHE A  78
ILE A 123
LEU A  99
 None
 1.19A 3ia4D-2ekcA:
undetectable		 3ia4D-2ekcA:
21.05
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
PHE A  52
SER A  83
ILE A  84
LEU A  91
ARG A  94
TYR A 160
 NAP  A 523 (-3.7A)
None
NAP  A 523 ( 4.4A)
None
None
None
None
 0.90A 3ia4D-2h2qA:
19.5		 3ia4D-2h2qA:
17.43
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.
2iy8 PROTEIN PM0188

(Pasteurella
multocida) 		PF11477
(PM0188) 		5 ALA A 122
LEU A  91
ILE A 106
LEU A  32
TYR A 171
 None
 1.13A 3ia4D-2iy8A:
undetectable		 3ia4D-2iy8A:
18.59
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.
2lsh SPORE-WALL FUNGAL
HYDROPHOBIN DEWA

(Aspergillus
nidulans) 		PF01185
(Hydrophobin) 		5 ALA A  96
LEU A  81
LYS A  92
SER A  71
ILE A  73
 None
 0.98A 3ia4D-2lshA:
undetectable		 3ia4D-2lshA:
21.38
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  11
LEU A  33
PHE A  36
SER A  61
ILE A  62
LEU A  67
ARG A  70
TYR A 119
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
 0.71A 3ia4D-2oipA:
21.3		 3ia4D-2oipA:
15.08
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) 		8 ALA A   8
GLU A  28
LEU A  29
LYS A  33
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 ( 4.3A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
 0.41A 3ia4D-2qk8A:
26.1		 3ia4D-2qk8A:
45.06
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) 		7 ALA A  11
LEU A  32
PHE A  35
SER A  53
LEU A  61
ARG A  64
TYR A 108
 VG9  A1168 ( 3.8A)
VG9  A1168 (-4.7A)
VG9  A1168 (-3.9A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
 0.87A 3ia4D-2w3wA:
24.6		 3ia4D-2w3wA:
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.
2w4g MYOSIN HEAVY CHAIN,
SKELETAL MUSCLE,
ADULT

(Gallus gallus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 ALA M 651
GLU M 537
LEU M 536
PHE M 533
SER M 273
 None
 1.22A 3ia4D-2w4gM:
undetectable		 3ia4D-2w4gM:
11.95
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) 		6 ILE A   5
ALA A   7
LEU A  28
LYS A  32
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
None
 0.61A 3ia4D-2w9sA:
26.0		 3ia4D-2w9sA:
41.21
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) 		8 ILE A   5
ALA A   7
LEU A  28
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 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
 0.54A 3ia4D-2w9sA:
26.0		 3ia4D-2w9sA:
41.21
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.
2x24 ACETYL-COA
CARBOXYLASE

(Bos taurus) 		PF01039
(Carboxyl_trans) 		5 ILE A 147
SER A 254
ILE A 253
LEU A 335
ARG A 111
 None
 1.18A 3ia4D-2x24A:
undetectable		 3ia4D-2x24A:
12.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xn6 THYROXINE-BINDING
GLOBULIN

(Homo sapiens) 		PF00079
(Serpin) 		5 ILE A  46
ALA A 292
PHE A  37
SER A  52
ILE A  53
 None
EDO  A1363 (-3.3A)
None
None
None
 1.19A 3ia4D-2xn6A:
undetectable		 3ia4D-2xn6A:
18.75
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.
2ze0 ALPHA-GLUCOSIDASE

(Geobacillus sp.
HTA-462) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ILE A  96
ALA A  11
LEU A  93
ILE A  33
LEU A  84
 None
 1.13A 3ia4D-2ze0A:
undetectable		 3ia4D-2ze0A:
16.46
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.
3ajx 3-HEXULOSE-6-PHOSPHA
TE SYNTHASE

(Mycobacterium
gastri) 		PF00215
(OMPdecase) 		5 ALA A1180
PHE A1130
LYS A1129
ILE A1028
LEU A1080
 None
 1.17A 3ia4D-3ajxA:
undetectable		 3ia4D-3ajxA:
23.70
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.
3bjd PUTATIVE
3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE

(Pseudomonas
aeruginosa) 		PF14515
(HOASN)
PF14518
(Haem_oxygenas_2) 		5 ILE A 320
LEU A 140
PHE A 143
SER A 132
LEU A 254
 None
 1.15A 3ia4D-3bjdA:
undetectable		 3ia4D-3bjdA:
19.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
LEU A  27
PHE A  30
SER A  48
LEU A  54
ARG A  57
 MTX  A 164 (-3.8A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
 0.80A 3ia4D-3dfrA:
24.1		 3ia4D-3dfrA:
37.65
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		8 ILE A  14
ALA A  16
PHE A  58
SER A 111
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-4.3A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
 0.83A 3ia4D-3dg8A:
20.5		 3ia4D-3dg8A:
24.91
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.
3e1k GALACTOSE/LACTOSE
METABOLISM
REGULATORY PROTEIN
GAL80

(Kluyveromyces
lactis) 		PF01408
(GFO_IDH_MocA) 		5 ILE A 230
PHE A 227
SER A 176
ILE A 177
LEU A 219
 None
 1.14A 3ia4D-3e1kA:
undetectable		 3ia4D-3e1kA:
16.45
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.
3f9k INTEGRASE

(Human
immunodeficiency
virus 2) 		PF00665
(rve)
PF02022
(Integrase_Zn) 		5 ILE A 165
ALA A 169
LEU A 177
ILE A  73
LEU A 158
 None
 1.19A 3ia4D-3f9kA:
undetectable		 3ia4D-3f9kA:
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.
3gcd RTX TOXIN RTXA

(Vibrio cholerae) 		PF11713
(Peptidase_C80) 		5 ALA A  47
LEU A 175
SER A 136
ILE A 137
LEU A 142
 AZ0  A 213 (-3.8A)
AZ0  A 213 (-3.4A)
IHP  A 214 (-2.9A)
None
None
 1.19A 3ia4D-3gcdA:
undetectable		 3ia4D-3gcdA:
17.94
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.
3hpd HYDROXYETHYLTHIAZOLE
KINASE

(Pyrococcus
horikoshii) 		PF02110
(HK) 		5 ILE A  64
LEU A 107
SER A 125
ILE A 124
LEU A 117
 None
 0.98A 3ia4D-3hpdA:
2.2		 3ia4D-3hpdA:
21.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
LEU X  28
ILE X  50
LEU X  54
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 (-4.4A)
N22  X 219 (-4.6A)
None
None
None
 0.60A 3ia4D-3i8aX:
25.7		 3ia4D-3i8aX:
40.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
LYS X  32
SER X  49
ILE X  50
LEU X  54
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
None
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
None
None
None
 0.82A 3ia4D-3i8aX:
25.7		 3ia4D-3i8aX:
40.12
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) 		8 ILE A   8
ALA A  10
GLU A  30
LEU A  31
PHE A  34
LYS A  35
LEU A  58
ARG A  61
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 (-2.7A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.4A)
MTX  A 200 (-4.1A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
 0.37A 3ia4D-3ix9A:
25.2		 3ia4D-3ix9A:
33.85
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.
3k31 ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE

(Anaplasma
phagocytophilum) 		PF13561
(adh_short_C2) 		5 ILE A  14
ALA A  39
MET A  77
LEU A  88
ILE A 129
 None
 1.10A 3ia4D-3k31A:
undetectable		 3ia4D-3k31A:
20.92
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
SER A  72
ILE A  73
LEU A  80
ARG A  83
TYR A 129
 NAP  A 512 (-3.7A)
NAP  A 512 ( 4.2A)
None
None
None
None
 0.87A 3ia4D-3kjrA:
20.9		 3ia4D-3kjrA:
15.81
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.
3ml0 PENICILLIN G
ACYLASE, ALPHA
SUBUNIT
PENICILLIN G
ACYLASE, BETA
SUBUNIT

(Alcaligenes
faecalis) 		PF01804
(Penicil_amidase) 		5 ALA A  19
LEU B  37
PHE B  42
ILE A  94
LEU B 155
 None
 1.19A 3ia4D-3ml0A:
undetectable		 3ia4D-3ml0A:
19.51
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.
3n0l SERINE
HYDROXYMETHYLTRANSFE
RASE

(Campylobacter
jejuni) 		PF00464
(SHMT) 		5 ILE A  28
ALA A 361
SER A 376
ILE A 379
LEU A 330
 None
 1.21A 3ia4D-3n0lA:
undetectable		 3ia4D-3n0lA:
18.97
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.
3naw SECRETED EFFECTOR
PROTEIN

(Escherichia
coli) 		PF00805
(Pentapeptide)
PF13979
(SopA_C)
PF13981
(SopA) 		5 LEU A 406
PHE A 410
SER A 363
ILE A 364
LEU A 386
 None
 1.21A 3ia4D-3nawA:
undetectable		 3ia4D-3nawA:
12.93
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
PHE A  58
SER A  89
LEU A  97
ARG A 100
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
WRA  A 602 ( 4.2A)
None
None
None
 0.70A 3ia4D-3rg9A:
19.5		 3ia4D-3rg9A:
29.22
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.
3s5u PUTATIVE
UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF09711
(Cas_Csn2) 		5 ILE A 135
ALA A 132
PHE A 130
ILE A  97
LEU A  87
 None
 1.08A 3ia4D-3s5uA:
undetectable		 3ia4D-3s5uA:
20.55
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 ALA A   7
PHE A  32
SER A  50
ILE A  51
LEU A  55
ARG A  58
 NDP  A1001 ( 4.1A)
MTX  A2001 (-4.3A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 1.00A 3ia4D-3tq9A:
26.1		 3ia4D-3tq9A:
43.09
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) 		9 ILE A   6
ALA A   8
LEU A  29
PHE A  32
LYS A  33
SER A  50
ILE A  51
LEU A  55
ARG A  58
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
None
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 0.38A 3ia4D-3tq9A:
26.1		 3ia4D-3tq9A:
43.09
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.
3u0o SELENIDE, WATER
DIKINASE

(Escherichia
coli) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ALA A 214
LEU A 305
PHE A 216
ILE A 326
LEU A 328
 None
 1.14A 3ia4D-3u0oA:
undetectable		 3ia4D-3u0oA:
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A  14
PHE A  58
SER A 111
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
None
None
None
 0.64A 3ia4D-3um6A:
20.3		 3ia4D-3um6A:
13.31
Potential target for repurposing, i.e. matched protein structure has less than 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) 		8 ALA A   8
PHE A  32
LYS A  33
SER A  56
ILE A  57
LEU A  64
ARG A  67
TYR A 117
 None
 0.97A 3ia4D-3vcoA:
18.3		 3ia4D-3vcoA:
27.80
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.
3vta CUCUMISIN

(Cucumis melo) 		PF00082
(Peptidase_S8) 		5 ALA A 569
GLU A 570
SER A 729
ILE A 703
LEU A 675
 None
 1.22A 3ia4D-3vtaA:
undetectable		 3ia4D-3vtaA:
14.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 ALA B1750
LEU B1674
SER B1879
ILE B1876
LEU B1770
 None
 1.13A 3ia4D-4bedB:
undetectable		 3ia4D-4bedB:
7.49
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.
4buj ANTIVIRAL PROTEIN
SKI8

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ILE C 236
ALA C 189
SER C 212
ILE C 211
LEU C 248
 None
 1.21A 3ia4D-4bujC:
undetectable		 3ia4D-4bujC:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ckr EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ILE A 750
LEU A 837
SER A 739
ILE A 738
LEU A 713
 None
 1.22A 3ia4D-4ckrA:
undetectable		 3ia4D-4ckrA:
20.20
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.
4fxd DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ILE A 556
LEU A 541
SER A 662
ILE A 663
LEU A 645
 None
 1.08A 3ia4D-4fxdA:
undetectable		 3ia4D-4fxdA:
10.58
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		9 ILE X  10
ALA X  12
GLU X  32
PHE X  36
SER X  64
ILE X  65
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 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
 0.66A 3ia4D-4g8zX:
20.3		 3ia4D-4g8zX:
29.95
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) 		11 ILE A   9
ALA A  11
MET A  25
GLU A  32
PHE A  36
LYS A  37
SER A  61
ILE A  62
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
NDP  A 201 (-3.9A)
14Q  A 202 (-2.8A)
14Q  A 202 (-4.0A)
None
14Q  A 202 (-3.9A)
14Q  A 202 ( 4.8A)
None
None
None
 0.94A 3ia4D-4h96A:
18.1		 3ia4D-4h96A:
35.60
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
PHE A  36
SER A  61
ILE A  62
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 (-3.8A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
None
None
None
 0.62A 3ia4D-4h98A:
19.3		 3ia4D-4h98A:
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.
4hei RIBOSOME HIBERNATION
PROTEIN YHBH

(Vibrio cholerae) 		PF02482
(Ribosomal_S30AE) 		5 ILE A   3
LEU A  27
PHE A  24
LYS A  23
LEU A  77
 None
 1.15A 3ia4D-4heiA:
undetectable		 3ia4D-4heiA:
20.83
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.
4hi0 UREASE ACCESSORY
PROTEIN UREH

(Helicobacter
pylori) 		PF01774
(UreD) 		5 ILE B 207
ALA B 254
LEU B 200
SER B 219
ILE B 216
 None
 1.17A 3ia4D-4hi0B:
undetectable		 3ia4D-4hi0B:
21.74
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
PHE A  31
SER A  49
LEU A  57
ARG A  60
TYR A 100
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.6A)
None
None
None
 0.56A 3ia4D-4m2xA:
23.0		 3ia4D-4m2xA:
35.50
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) 		6 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LEU A  55
ARG A  58
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
 0.55A 3ia4D-4m7vA:
24.8		 3ia4D-4m7vA:
39.43
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.
4mjz OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Toxoplasma
gondii) 		PF00215
(OMPdecase) 		5 ALA A 256
LEU A 274
SER A  38
ILE A  33
ARG A 222
 None
 0.96A 3ia4D-4mjzA:
undetectable		 3ia4D-4mjzA:
15.74
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.
4ovk PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		5 ILE A 300
PHE A  96
LYS A  97
ILE A  83
LEU A 103
 None
 1.22A 3ia4D-4ovkA:
undetectable		 3ia4D-4ovkA:
19.48
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) 		5 ALA A   6
PHE A  31
SER A  49
ILE A  50
ARG A  57
 NAP  A 202 ( 4.2A)
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.7A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
 1.21A 3ia4D-4p68A:
28.1		 3ia4D-4p68A:
55.83
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) 		9 ILE A   5
ALA A   7
MET A  20
PHE A  31
LYS A  32
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 ( 3.6A)
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.9A)
MTX  A 201 ( 3.7A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
None
 0.55A 3ia4D-4p68A:
28.1		 3ia4D-4p68A:
55.83
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.
4ud8 FAD-BINDING AND BBE
DOMAIN-CONTAINING
PROTEIN

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLU A 279
LEU A 275
ILE A 309
LEU A 267
TYR A 463
 None
 1.12A 3ia4D-4ud8A:
undetectable		 3ia4D-4ud8A:
16.47
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.
4z7y DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Sulfolobus
solfataricus) 		PF00288
(GHMP_kinases_N) 		5 ILE A 181
ALA A 276
MET A 238
ILE A  13
LEU A  39
 None
 1.11A 3ia4D-4z7yA:
undetectable		 3ia4D-4z7yA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bnn CAPSID PROTEIN VP3

(Enterovirus D) 		PF00073
(Rhv) 		5 ILE C  55
PHE C  82
SER C  72
ILE C  71
LEU C 129
 None
 1.17A 3ia4D-5bnnC:
undetectable		 3ia4D-5bnnC:
18.00
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.
5bz4 BETA-KETOTHIOLASE

(Mycolicibacterium
smegmatis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLU A 323
SER A 256
ILE A 356
LEU A 184
ARG A 187
 None
 1.16A 3ia4D-5bz4A:
undetectable		 3ia4D-5bz4A:
18.38
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.
5cad SM80.1 VICILIN

(Solanum
melongena) 		PF00190
(Cupin_1) 		5 LEU A 101
PHE A  73
SER A 107
ILE A 109
LEU A 111
 None
PCA  A 403 ( 4.8A)
None
None
None
 1.19A 3ia4D-5cadA:
undetectable		 3ia4D-5cadA:
17.22
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 ALA A   6
PHE A  48
SER A  66
ILE A  67
LEU A  71
ARG A  74
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
 1.16A 3ia4D-5dxvA:
16.2		 3ia4D-5dxvA:
42.31
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) 		8 ILE A   5
ALA A   7
PHE A  48
SER A  66
ILE A  67
LEU A  71
ARG A  74
TYR A 117
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
None
 0.65A 3ia4D-5dxvA:
16.2		 3ia4D-5dxvA:
42.31
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) 		7 ILE A   5
LEU A  45
PHE A  48
ILE A  67
LEU A  71
ARG A  74
TYR A 117
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
 0.85A 3ia4D-5dxvA:
16.2		 3ia4D-5dxvA:
42.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
GLU A  27
PHE A  31
ARG A  56
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-2.5A)
5N1  A 202 (-4.1A)
None
None
 0.78A 3ia4D-5ecxA:
24.5		 3ia4D-5ecxA:
29.94
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
GLU A  27
PHE A  31
LEU A  53
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-2.5A)
5N1  A 202 (-4.1A)
5N1  A 202 ( 4.7A)
None
 0.55A 3ia4D-5ecxA:
24.5		 3ia4D-5ecxA:
29.94
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
PHE A  31
SER A  49
LEU A  53
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-4.1A)
5N1  A 202 (-3.6A)
5N1  A 202 ( 4.7A)
None
 0.89A 3ia4D-5ecxA:
24.5		 3ia4D-5ecxA:
29.94
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
 0.86A 3ia4D-5fdaA:
18.8		 3ia4D-5fdaA:
57.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fyg CYTOCHROME P450

(Marinobacter
hydrocarbonoclasticus) 		PF00067
(p450) 		5 ALA A 253
MET A 232
PHE A 260
ILE A 309
LEU A 215
 None
 1.15A 3ia4D-5fygA:
undetectable		 3ia4D-5fygA:
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.
5hcc COMPLEMENT C5

(Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		5 ILE B  87
ALA B  35
PHE B  31
ILE B  39
LEU B 104
 None
 1.07A 3ia4D-5hccB:
undetectable		 3ia4D-5hccB:
13.89
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.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 ILE A1664
PHE A1627
LYS A1626
SER A1560
ILE A1557
 None
 1.11A 3ia4D-5i6hA:
undetectable		 3ia4D-5i6hA:
8.32
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.
5i6i ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 ILE A1664
PHE A1627
LYS A1626
SER A1560
ILE A1557
 None
 1.20A 3ia4D-5i6iA:
undetectable		 3ia4D-5i6iA:
5.77
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.
5ny0 L. REUTERIS SRRP
BINDING REGION

(Lactobacillus
reuteri) 		no annotation 5 ILE A 294
ALA A 273
LEU A 284
ILE A 335
LEU A 340
 None
 1.08A 3ia4D-5ny0A:
undetectable		 3ia4D-5ny0A:
17.96
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.
5oge GDP-MANNOSE
TRANSPORTER 1

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A 265
SER A 102
ILE A  99
LEU A  55
TYR A 281
 None
 1.16A 3ia4D-5ogeA:
undetectable		 3ia4D-5ogeA:
16.32
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) 		6 ALA A  10
PHE A  35
SER A  86
LEU A  94
ARG A  97
TYR A 157
 73X  A 704 (-4.0A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.8A)
None
None
None
 0.61A 3ia4D-5t0lA:
20.6		 3ia4D-5t0lA:
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.
5v6t PLEXIN-D1

(Mus musculus) 		PF08337
(Plexin_cytopl) 		5 ILE A1888
LEU A1423
PHE A1426
ILE A1877
LEU A1444
 None
 1.04A 3ia4D-5v6tA:
undetectable		 3ia4D-5v6tA:
17.00
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.
5vf5 SM80.1 VICILIN

(Solanum
melongena) 		no annotation 5 LEU A 101
PHE A  73
SER A 107
ILE A 109
LEU A 111
 None
 1.20A 3ia4D-5vf5A:
undetectable		 3ia4D-5vf5A:
14.81
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.
5wmb DNA REPAIR PROTEIN
REV1

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A 631
PHE A 642
SER A 624
ILE A 625
LEU A 316
 None
 1.18A 3ia4D-5wmbA:
undetectable		 3ia4D-5wmbA:
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.
5yk7 MAINTENANCE OF
MITOCHONDRIAL
MORPHOLOGY PROTEIN 1
MITOCHONDRIAL
DISTRIBUTION AND
MORPHOLOGY PROTEIN
12

(Saccharomyces
cerevisiae;
Zygosaccharomyces
rouxii) 		no annotation 5 ILE B 119
ALA B 169
LEU B 123
PHE B 121
LEU A 327
 None
 1.22A 3ia4D-5yk7B:
undetectable		 3ia4D-5yk7B:
22.37
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ILE A   6
ALA A   8
LEU A  29
PHE A  32
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.84A 3ia4D-6cxmA:
21.7		 3ia4D-6cxmA:
29.08
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ILE A   6
ALA A   8
PHE A  32
LYS A  33
SER A  50
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.60A 3ia4D-6cxmA:
21.7		 3ia4D-6cxmA:
29.08
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.
6e4e -

(-) 		no annotation 5 ALA A   7
LEU A  28
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.45A 3ia4D-6e4eA:
25.8		 3ia4D-6e4eA:
undetectable