SIMILAR PATTERNS OF AMINO ACIDS FOR 3IA4_D_MTXD164

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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a05 3-ISOPROPYLMALATE
DEHYDROGENASE

(Acidithiobacillus
ferrooxidans) 		PF00180
(Iso_dh) 		3 ARG A  95
ILE A 170
THR A 197
 IPM  A 401 (-3.2A)
None
None
 0.72A 3ia4D-1a05A:
0.0		 3ia4D-1a05A:
19.31
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.
1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT

(Escherichia
coli) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		3 ARG A 428
ILE A 259
THR A 462
 None
None
FAD  A 600 ( 3.8A)
 0.56A 3ia4D-1ddgA:
1.5		 3ia4D-1ddgA:
20.05
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.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		3 ARG A 216
ILE A 319
THR A 497
 None
 0.71A 3ia4D-1gqrA:
undetectable		 3ia4D-1gqrA:
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.
1itx GLYCOSYL HYDROLASE

(Bacillus
circulans) 		PF00704
(Glyco_hydro_18) 		3 ARG A 217
ILE A  80
THR A  98
 None
 0.64A 3ia4D-1itxA:
0.0		 3ia4D-1itxA:
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.
1mhm S-ADENOSYLMETHIONINE
DECARBOXYLASE

(Solanum
tuberosum) 		PF01536
(SAM_decarbox) 		3 ARG A 101
ILE A  82
THR A  86
 None
 0.74A 3ia4D-1mhmA:
0.6		 3ia4D-1mhmA:
21.48
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.
1nba N-CARBAMOYLSARCOSINE
AMIDOHYDROLASE

(Arthrobacter
sp.) 		PF00857
(Isochorismatase) 		3 ARG A  83
ILE A 168
THR A 181
 None
 0.69A 3ia4D-1nbaA:
undetectable		 3ia4D-1nbaA:
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.
1p91 RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE A

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		3 ARG A 141
ILE A 152
THR A  87
 None
 0.72A 3ia4D-1p91A:
undetectable		 3ia4D-1p91A:
21.30
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.
1t4o RIBONUCLEASE III

(Saccharomyces
cerevisiae) 		PF00035
(dsrm) 		3 ARG A 405
ILE A 420
THR A 394
 None
 0.74A 3ia4D-1t4oA:
undetectable		 3ia4D-1t4oA:
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.
1z9a NAD(P)H-DEPENDENT
D-XYLOSE REDUCTASE

([Candida]
tenuis) 		PF00248
(Aldo_ket_red) 		3 ARG A 267
ILE A 245
THR A 236
 None
 0.60A 3ia4D-1z9aA:
0.2		 3ia4D-1z9aA:
18.94
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.
2b0c PUTATIVE PHOSPHATASE

(Escherichia
coli) 		PF13419
(HAD_2) 		3 ARG A 104
ILE A  18
THR A 116
 None
 0.70A 3ia4D-2b0cA:
undetectable		 3ia4D-2b0cA:
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.
2b5i INTERLEUKIN-2
RECEPTOR BETA CHAIN

(Homo sapiens) 		no annotation 3 ARG B  42
ILE B  18
THR B 192
 None
 0.68A 3ia4D-2b5iB:
undetectable		 3ia4D-2b5iB:
20.48
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.
2bwa ENDOGLUCANASE

(Rhodothermus
marinus) 		PF01670
(Glyco_hydro_12) 		3 ARG A  88
ILE A 127
THR A 169
 None
None
GOL  A1230 (-3.8A)
 0.71A 3ia4D-2bwaA:
undetectable		 3ia4D-2bwaA:
21.61
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.
2d1c ISOCITRATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00180
(Iso_dh) 		3 ARG A 104
ILE A  25
THR A  38
 CIT  A1585 (-3.1A)
None
None
 0.67A 3ia4D-2d1cA:
1.5		 3ia4D-2d1cA:
16.91
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.
2dxa PROTEIN YBAK

(Escherichia
coli) 		PF04073
(tRNA_edit) 		3 ARG A  94
ILE A 103
THR A  27
 None
 0.56A 3ia4D-2dxaA:
undetectable		 3ia4D-2dxaA:
22.47
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.
2e3u HYPOTHETICAL PROTEIN
PH1566

(Pyrococcus
horikoshii) 		PF00013
(KH_1) 		3 ARG A  44
ILE A  69
THR A  65
 None
 0.73A 3ia4D-2e3uA:
undetectable		 3ia4D-2e3uA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e7z ACETYLENE HYDRATASE
AHY

(Pelobacter
acetylenicus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		3 ARG A 314
ILE A 197
THR A 204
 None
None
MGD  A 802 (-4.2A)
 0.72A 3ia4D-2e7zA:
1.1		 3ia4D-2e7zA:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		3 ARG A 154
ILE A 315
THR A 168
 None
 0.51A 3ia4D-2fknA:
undetectable		 3ia4D-2fknA:
16.04
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.
2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE

(Thermus
caldophilus) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		3 ARG A 251
ILE A 235
THR A  14
 None
 0.47A 3ia4D-2gqtA:
undetectable		 3ia4D-2gqtA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i3o GAMMA-GLUTAMYLTRANSF
ERASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF01019
(G_glu_transpept) 		3 ARG A   5
ILE A 424
THR A 445
 None
 0.58A 3ia4D-2i3oA:
undetectable		 3ia4D-2i3oA:
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.
2ijz PROBABLE M18-FAMILY
AMINOPEPTIDASE 2

(Pseudomonas
aeruginosa) 		PF02127
(Peptidase_M18) 		3 ARG A 341
ILE A 378
THR A 262
 None
 0.69A 3ia4D-2ijzA:
undetectable		 3ia4D-2ijzA:
17.31
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.
2jjx URIDYLATE KINASE

(Bacillus
anthracis) 		PF00696
(AA_kinase) 		3 ARG A  28
ILE A  50
THR A 140
 None
 0.64A 3ia4D-2jjxA:
2.4		 3ia4D-2jjxA:
21.64
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.
2o1w ENDOPLASMIN

(Canis lupus) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		3 ARG A 448
ILE A 115
THR A 155
 None
 0.70A 3ia4D-2o1wA:
undetectable		 3ia4D-2o1wA:
14.46
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.
2ogx MOLYBDENUM STORAGE
PROTEIN SUBUNIT
ALPHA

(Azotobacter
vinelandii) 		PF00696
(AA_kinase) 		3 ARG A 169
ILE A 188
THR A 214
 None
 0.70A 3ia4D-2ogxA:
undetectable		 3ia4D-2ogxA:
22.40
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.
2pc6 PROBABLE
ACETOLACTATE
SYNTHASE ISOZYME III
(SMALL SUBUNIT)

(Nitrosomonas
europaea) 		PF10369
(ALS_ss_C)
PF13710
(ACT_5) 		3 ARG A 156
ILE A   4
THR A 149
 None
 0.64A 3ia4D-2pc6A:
undetectable		 3ia4D-2pc6A:
28.88
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.
2xvo SSO1725

(Sulfolobus
solfataricus) 		no annotation 3 ARG A  67
ILE A 169
THR A 173
 None
 0.62A 3ia4D-2xvoA:
undetectable		 3ia4D-2xvoA:
18.69
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.
2zko NON-STRUCTURAL
PROTEIN 1

(Influenza A
virus) 		PF00600
(Flu_NS1) 		3 ARG A  19
ILE A  54
THR A  49
 GOL  A  71 (-3.9A)
None
C  D   4 ( 3.4A)
 0.67A 3ia4D-2zkoA:
undetectable		 3ia4D-2zkoA:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zvy CHEMOTAXIS PROTEIN
MOTB

(Salmonella
enterica) 		PF00691
(OmpA) 		3 ARG A 174
ILE A 153
THR A 197
 None
 0.55A 3ia4D-2zvyA:
undetectable		 3ia4D-2zvyA:
23.16
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.
2zy2 L-ASPARTATE
4-CARBOXYLYASE

(Pseudomonas sp.
ATCC 19121) 		PF00155
(Aminotran_1_2) 		3 ARG A 265
ILE A 273
THR A 307
 None
 0.70A 3ia4D-2zy2A:
undetectable		 3ia4D-2zy2A:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3abi PUTATIVE
UNCHARACTERIZED
PROTEIN PH1688

(Pyrococcus
horikoshii) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		3 ARG A 342
ILE A  66
THR A 111
 None
 0.50A 3ia4D-3abiA:
2.6		 3ia4D-3abiA:
16.67
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.
3b7m CELLULASE

(Rhodothermus
marinus) 		PF01670
(Glyco_hydro_12) 		3 ARG A  79
ILE A 117
THR A 161
 None
 0.65A 3ia4D-3b7mA:
undetectable		 3ia4D-3b7mA:
23.53
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.
3bre PROBABLE
TWO-COMPONENT
RESPONSE REGULATOR

(Pseudomonas
aeruginosa) 		PF00072
(Response_reg)
PF00990
(GGDEF) 		3 ARG A 276
ILE A 298
THR A 302
 None
 0.71A 3ia4D-3breA:
undetectable		 3ia4D-3breA:
18.49
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.
3d6n DIHYDROOROTASE

(Aquifex
aeolicus) 		PF01979
(Amidohydro_1) 		3 ARG A 339
ILE A  52
THR A 412
 None
 0.75A 3ia4D-3d6nA:
undetectable		 3ia4D-3d6nA:
18.51
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.
3dgz THIOREDOXIN
REDUCTASE 2

(Mus musculus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		3 ARG A 135
ILE A  12
THR A 316
 None
 0.71A 3ia4D-3dgzA:
undetectable		 3ia4D-3dgzA:
16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dh0 SAM DEPENDENT
METHYLTRANSFERASE

(Aquifex
aeolicus) 		PF13847
(Methyltransf_31) 		3 ARG A 131
ILE A 110
THR A  46
 None
 0.75A 3ia4D-3dh0A:
2.3		 3ia4D-3dh0A:
22.77
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.
3exh PYRUVATE
DEHYDROGENASE E1
COMPONENT SUBUNIT
BETA, MITOCHONDRIAL

(Homo sapiens) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		3 ARG B  19
ILE B 157
THR B 240
 None
 0.54A 3ia4D-3exhB:
undetectable		 3ia4D-3exhB:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fhg N-GLYCOSYLASE/DNA
LYASE

(Sulfolobus
solfataricus) 		PF00730
(HhH-GPD) 		3 ARG A 116
ILE A 149
THR A 162
 None
 0.70A 3ia4D-3fhgA:
undetectable		 3ia4D-3fhgA:
21.33
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.
3ga4 DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE-PROTEI
N
GLYCOSYLTRANSFERASE
SUBUNIT OST6

(Saccharomyces
cerevisiae) 		PF04756
(OST3_OST6) 		3 ARG A  73
ILE A  40
THR A  44
 None
 0.67A 3ia4D-3ga4A:
undetectable		 3ia4D-3ga4A:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3geh TRNA MODIFICATION
GTPASE MNME

(Nostoc sp. PCC
7120) 		PF01926
(MMR_HSR1)
PF10396
(TrmE_N)
PF12631
(MnmE_helical) 		3 ARG A 246
ILE A 368
THR A 307
 None
 0.68A 3ia4D-3gehA:
undetectable		 3ia4D-3gehA:
16.49
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.
3ifq E-CADHERIN
PLAKOGLOBIN

(Homo sapiens;
Mus musculus) 		PF00514
(Arm)
PF01049
(Cadherin_C) 		3 ARG C 714
ILE A 165
THR A 205
 None
 0.54A 3ia4D-3ifqC:
undetectable		 3ia4D-3ifqC:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ig4 XAA-PRO
AMINOPEPTIDASE

(Bacillus
anthracis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		3 ARG A 169
ILE A 179
THR A 187
 None
 0.65A 3ia4D-3ig4A:
undetectable		 3ia4D-3ig4A:
15.46
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.
3irv CYSTEINE HYDROLASE

(Pseudomonas
savastanoi) 		PF00857
(Isochorismatase) 		3 ARG A  88
ILE A 170
THR A 183
 None
 0.62A 3ia4D-3irvA:
undetectable		 3ia4D-3irvA:
21.54
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.
3jro FUSION PROTEIN OF
PROTEIN TRANSPORT
PROTEIN SEC13 AND
NUCLEOPORIN NUP145

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12110
(Nup96) 		3 ARG A1510
ILE A1516
THR A1523
 None
 0.55A 3ia4D-3jroA:
undetectable		 3ia4D-3jroA:
13.21
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.
3jwo HIV-1 GP120 ENVELOPE
GLYCOPROTEIN

(Homo sapiens) 		PF00516
(GP120) 		3 ARG A 469
ILE A 359
THR A 399
 None
None
NAG  A 897 ( 4.4A)
 0.70A 3ia4D-3jwoA:
undetectable		 3ia4D-3jwoA:
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.
3k4u BINDING COMPONENT OF
ABC TRANSPORTER

(Wolinella
succinogenes) 		PF00497
(SBP_bac_3) 		3 ARG A  79
ILE A  72
THR A 185
 None
 0.73A 3ia4D-3k4uA:
undetectable		 3ia4D-3k4uA:
21.86
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.
3mbh PUTATIVE
PHOSPHOMETHYLPYRIMID
INE KINASE

(Bacteroides
thetaiotaomicron) 		PF08543
(Phos_pyr_kin) 		3 ARG A 171
ILE A 183
THR A 211
 None
 0.70A 3ia4D-3mbhA:
undetectable		 3ia4D-3mbhA:
22.10
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.
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF03212
(Pertactin) 		3 ARG A 719
ILE A 694
THR A 697
 None
 0.64A 3ia4D-3ml3A:
undetectable		 3ia4D-3ml3A:
22.06
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.
3mt1 PUTATIVE
CARBOXYNORSPERMIDINE
DECARBOXYLASE
PROTEIN

(Sinorhizobium
meliloti) 		PF00278
(Orn_DAP_Arg_deC) 		3 ARG A  69
ILE A 340
THR A 356
 None
 0.58A 3ia4D-3mt1A:
undetectable		 3ia4D-3mt1A:
17.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nh9 ATP-BINDING CASSETTE
SUB-FAMILY B MEMBER
6, MITOCHONDRIAL

(Homo sapiens) 		PF00005
(ABC_tran) 		3 ARG A 634
ILE A 779
THR A 787
 ATP  A   1 (-3.3A)
None
BME  A   3 ( 4.3A)
 0.74A 3ia4D-3nh9A:
undetectable		 3ia4D-3nh9A:
19.87
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.
3qu1 PEPTIDE DEFORMYLASE
2

(Vibrio cholerae) 		PF01327
(Pep_deformylase) 		3 ARG A 103
ILE A  61
THR A  41
 None
 0.67A 3ia4D-3qu1A:
undetectable		 3ia4D-3qu1A:
26.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rpl D-FRUCTOSE
1,6-BISPHOSPHATASE
CLASS
2/SEDOHEPTULOSE
1,7-BISPHOSPHATASE

(Synechocystis
sp. PCC 6803) 		PF03320
(FBPase_glpX) 		3 ARG A  43
ILE A  94
THR A 289
 None
 0.40A 3ia4D-3rplA:
undetectable		 3ia4D-3rplA:
19.15
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.
3rrc DUFFY RECEPTOR

(Plasmodium
vivax) 		PF03011
(PFEMP)
PF05424
(Duffy_binding) 		3 ARG A 226
ILE A 322
THR A 251
 None
 0.74A 3ia4D-3rrcA:
undetectable		 3ia4D-3rrcA:
19.54
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.
3tjr SHORT CHAIN
DEHYDROGENASE

(Mycobacterium
avium) 		PF00106
(adh_short) 		3 ARG A 203
ILE A 117
THR A 145
 None
UNL  A 281 ( 3.8A)
UNL  A 281 ( 3.8A)
 0.57A 3ia4D-3tjrA:
1.9		 3ia4D-3tjrA:
18.94
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.
3tpa HEME-BINDING PROTEIN
A

(Glaesserella
parasuis) 		PF00496
(SBP_bac_5) 		3 ARG A 204
ILE A  14
THR A 231
 None
 0.74A 3ia4D-3tpaA:
undetectable		 3ia4D-3tpaA:
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.
3uf0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Beutenbergia
cavernae) 		PF13561
(adh_short_C2) 		3 ARG A 109
ILE A  94
THR A  15
 None
NAP  A 274 (-4.9A)
None
 0.65A 3ia4D-3uf0A:
undetectable		 3ia4D-3uf0A:
19.64
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.
3wkh CELLOBIOSE
2-EPIMERASE

(Rhodothermus
marinus) 		PF07221
(GlcNAc_2-epim) 		3 ARG A 355
ILE A 399
THR A  80
 None
 0.70A 3ia4D-3wkhA:
undetectable		 3ia4D-3wkhA:
20.24
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.
3zuh PROTEIN CBBX

(Rhodobacter
sphaeroides) 		PF00004
(AAA) 		3 ARG A 144
ILE A 136
THR A  81
 None
None
ADP  A1299 (-2.4A)
 0.70A 3ia4D-3zuhA:
undetectable		 3ia4D-3zuhA:
22.97
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.
4a0l CULLIN-4B

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		3 ARG E 369
ILE E 350
THR E 393
 None
 0.71A 3ia4D-4a0lE:
undetectable		 3ia4D-4a0lE:
13.20
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.
4a2w RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		3 ARG A 756
ILE A 726
THR A 631
 None
 0.72A 3ia4D-4a2wA:
undetectable		 3ia4D-4a2wA:
10.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bji TRANSCRIPTION FACTOR
TAU SUBUNIT SFC1

(Schizosaccharomyces
pombe) 		PF09734
(Tau95) 		3 ARG A 364
ILE A 331
THR A 338
 None
 0.54A 3ia4D-4bjiA:
undetectable		 3ia4D-4bjiA:
19.82
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.
4czw PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Neurospora
crassa) 		PF00929
(RNase_T)
PF13423
(UCH_1) 		3 ARG A 871
ILE A 947
THR A 895
 None
 0.72A 3ia4D-4czwA:
undetectable		 3ia4D-4czwA:
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.
4dq8 ACETATE KINASE

(Mycobacterium
marinum) 		PF00871
(Acetate_kinase) 		3 ARG A 270
ILE A 320
THR A 371
 None
 0.69A 3ia4D-4dq8A:
undetectable		 3ia4D-4dq8A:
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.
4f6t MOLYBDENUM STORAGE
PROTEIN SUBUNIT
ALPHA

(Azotobacter
vinelandii) 		PF00696
(AA_kinase) 		3 ARG A 169
ILE A 188
THR A 214
 None
 0.72A 3ia4D-4f6tA:
undetectable		 3ia4D-4f6tA:
23.39
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.
4fo7 METHIONINE
AMINOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF00557
(Peptidase_M24) 		3 ARG A 250
ILE A  32
THR A 117
 None
 0.67A 3ia4D-4fo7A:
undetectable		 3ia4D-4fo7A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fq7 MALEATE CIS-TRANS
ISOMERASE

(Pseudomonas
putida) 		no annotation 3 ARG A 126
ILE A 221
THR A 137
 None
 0.65A 3ia4D-4fq7A:
undetectable		 3ia4D-4fq7A:
19.40
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.
4hxe PUTATIVE
UNCHARACTERIZED
PROTEIN PH0594

(Pyrococcus
horikoshii) 		PF00326
(Peptidase_S9)
PF07676
(PD40) 		3 ARG B  65
ILE B  47
THR B 336
 None
 0.67A 3ia4D-4hxeB:
undetectable		 3ia4D-4hxeB:
13.64
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.
4i3h TOPOISOMERASE IV
SUBUNIT B, DNA
TOPOISOMERASE 4
SUBUNIT A CHIMERA

(Streptococcus
pneumoniae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
PF02518
(HATPase_c) 		3 ARG A1353
ILE A1126
THR A1054
 None
 0.68A 3ia4D-4i3hA:
undetectable		 3ia4D-4i3hA:
9.20
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.
4oan TRAP DICARBOXYLATE
TRANSPORTER DCTP
SUBUNIT

(Rhodopseudomonas
palustris) 		PF03480
(DctP) 		3 ARG A 311
ILE A 114
THR A 123
 None
 0.56A 3ia4D-4oanA:
undetectable		 3ia4D-4oanA:
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.
4oog RIBONUCLEASE 3

(Saccharomyces
cerevisiae) 		PF00035
(dsrm)
PF00636
(Ribonuclease_3) 		3 ARG C 405
ILE C 420
THR C 394
 None
U  D   5 ( 3.6A)
None
 0.67A 3ia4D-4oogC:
undetectable		 3ia4D-4oogC:
22.73
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.
4opa NONSTRUCTURAL
PROTEIN 1

(Influenza A
virus) 		no annotation 3 ARG B  19
ILE B  54
THR B  49
 None
 0.69A 3ia4D-4opaB:
undetectable		 3ia4D-4opaB:
22.91
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.
4q8k ALGINASE

(Pseudoalteromonas
sp. SM0524) 		PF08787
(Alginate_lyase2) 		3 ARG A 296
ILE A 254
THR A 274
 None
 0.67A 3ia4D-4q8kA:
undetectable		 3ia4D-4q8kA:
18.21
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.
4rwe SUGAR-BINDING
TRANSPORT PROTEIN

(Yersinia pestis) 		PF13407
(Peripla_BP_4) 		3 ARG A 106
ILE A  90
THR A 127
 None
 0.70A 3ia4D-4rweA:
undetectable		 3ia4D-4rweA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		3 ARG A 247
ILE A 254
THR A 231
 None
 0.67A 3ia4D-4ryeA:
undetectable		 3ia4D-4ryeA:
21.15
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.
4w8j PESTICIDAL CRYSTAL
PROTEIN CRY1AC

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		3 ARG A 281
ILE A 448
THR A 365
 None
 0.67A 3ia4D-4w8jA:
undetectable		 3ia4D-4w8jA:
9.32
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.
4x0q DNA POLYMERASE THETA

(Homo sapiens) 		PF00476
(DNA_pol_A) 		3 ARG A2315
ILE A2535
THR A2485
 None
 0.69A 3ia4D-4x0qA:
undetectable		 3ia4D-4x0qA:
11.98
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.
4xdy KETOL-ACID
REDUCTOISOMERASE

(uncultured
archaeon
GZfos26G2) 		PF01450
(IlvC)
PF07991
(IlvN) 		3 ARG A 120
ILE A  83
THR A  47
 None
None
NAI  A 403 ( 4.5A)
 0.64A 3ia4D-4xdyA:
undetectable		 3ia4D-4xdyA:
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.
4zn6 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Acinetobacter
baumannii) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		3 ARG A  47
ILE A  15
THR A 119
 None
 0.67A 3ia4D-4zn6A:
undetectable		 3ia4D-4zn6A:
17.98
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.
5a5l D-FRUCTOSE
1,6-BISPHOSPHATASE
CLASS
2/SEDOHEPTULOSE
1,7-BISPHOSPHATASE

(Thermosynechococcus
elongatus) 		PF03320
(FBPase_glpX) 		3 ARG A  43
ILE A  94
THR A 290
 None
 0.42A 3ia4D-5a5lA:
undetectable		 3ia4D-5a5lA:
19.67
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.
5b8i PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SERINE/THREONINE-PRO
TEIN PHOSPHATASE

(Coccidioides
immitis) 		PF00149
(Metallophos)
PF00254
(FKBP_C) 		3 ARG C  53
ILE C 109
THR A 369
 MES  A 404 (-2.9A)
None
None
 0.75A 3ia4D-5b8iC:
undetectable		 3ia4D-5b8iC:
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.
5dm7 50S RIBOSOMAL
PROTEIN L5

(Deinococcus
radiodurans) 		PF00281
(Ribosomal_L5)
PF00673
(Ribosomal_L5_C) 		3 ARG D 115
ILE D 132
THR D 149
 None
 0.57A 3ia4D-5dm7D:
undetectable		 3ia4D-5dm7D:
23.89
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		3 ARG A1174
ILE A1192
THR A1270
 None
 0.71A 3ia4D-5dotA:
undetectable		 3ia4D-5dotA:
7.75
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.
5ftx SURFACE LAYER
PROTEIN

(Geobacillus
stearothermophilus) 		no annotation 3 ARG A1047
ILE A1039
THR A 948
 None
 0.69A 3ia4D-5ftxA:
undetectable		 3ia4D-5ftxA:
12.50
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.
5fz5 TRANSCRIPTION
INITIATION FACTOR
IIB

(Saccharomyces
cerevisiae) 		PF00382
(TFIIB)
PF08271
(TF_Zn_Ribbon) 		3 ARG M 241
ILE M 282
THR M 308
 None
 0.53A 3ia4D-5fz5M:
undetectable		 3ia4D-5fz5M:
18.57
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.
5kkr KINASE SUPPRESSOR OF
RAS 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		3 ARG B 684
ILE B 738
THR B 802
 None
None
6U7  B1001 (-3.6A)
 0.68A 3ia4D-5kkrB:
undetectable		 3ia4D-5kkrB:
22.12
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.
5kzm TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Francisella
tularensis) 		PF00290
(Trp_syntA) 		3 ARG A  90
ILE A  26
THR A 238
 None
 0.72A 3ia4D-5kzmA:
undetectable		 3ia4D-5kzmA:
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.
5l9s ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (MANNOPINE)

(Agrobacterium
fabrum) 		PF13416
(SBP_bac_8) 		3 ARG A 234
ILE A 243
THR A 143
 None
 0.74A 3ia4D-5l9sA:
undetectable		 3ia4D-5l9sA:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		3 ARG A 672
ILE A 662
THR A 558
 None
None
ACT  A2201 (-3.3A)
 0.66A 3ia4D-5m59A:
undetectable		 3ia4D-5m59A:
6.86
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.
5nws SAACMM

(Streptomyces
antibioticus) 		no annotation 3 ARG A 128
ILE A 115
THR A  81
 GOL  A 501 (-3.9A)
HEM  A 504 (-4.1A)
None
 0.71A 3ia4D-5nwsA:
undetectable		 3ia4D-5nwsA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o1m RUBBER OXYGENASE

(Streptomyces
sp. K30) 		PF09995
(DUF2236) 		3 ARG A 195
ILE A 275
THR A  45
 None
 0.47A 3ia4D-5o1mA:
undetectable		 3ia4D-5o1mA:
18.49
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.
5swj PROBABLE ATP
SYNTHASE SPAL/MXIB

(Shigella
flexneri) 		PF00006
(ATP-synt_ab) 		3 ARG A 368
ILE A 327
THR A 299
 None
 0.73A 3ia4D-5swjA:
undetectable		 3ia4D-5swjA:
18.66
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.
5t81 EPOB

(Sorangium
cellulosum) 		PF00668
(Condensation) 		3 ARG A 172
ILE A 203
THR A 352
 None
 0.66A 3ia4D-5t81A:
undetectable		 3ia4D-5t81A:
14.13
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.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		3 ARG A 321
ILE A 301
THR A 358
 None
 0.73A 3ia4D-5u25A:
undetectable		 3ia4D-5u25A:
13.95
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.
5uos METHYLMALONIC
ACIDURIA AND
HOMOCYSTINURIA TYPE
C PROTEIN

(Homo sapiens) 		PF16690
(MMACHC) 		3 ARG A 214
ILE A 150
THR A 185
 None
 0.65A 3ia4D-5uosA:
undetectable		 3ia4D-5uosA:
21.77
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.
5vha DEAH
(ASP-GLU-ALA-HIS)
BOX POLYPEPTIDE 36

(Bos taurus) 		no annotation 3 ARG A 482
ILE A 523
THR A 542
 None
 0.73A 3ia4D-5vhaA:
undetectable		 3ia4D-5vhaA:
16.77
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.
5vys GDP-MANNOSE
4,6-DEHYDRATASE /
GDP-4-AMINO-4,6-DIDE
OXY-D-MANNOSE
FORMYLTRANSFERASE

(Brucella
melitensis) 		PF00551
(Formyl_trans_N) 		3 ARG A  88
ILE A 169
THR A 131
 GDP  A 303 (-3.0A)
None
None
 0.67A 3ia4D-5vysA:
undetectable		 3ia4D-5vysA:
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.
5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE

(Sphingobium sp.
SYK-6) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		3 ARG A 122
ILE A  26
THR A 430
 DHB  A 502 (-3.7A)
None
None
 0.68A 3ia4D-5x1nA:
undetectable		 3ia4D-5x1nA:
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.
5xtc NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
11
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2

(Homo sapiens) 		no annotation 3 ARG V 129
ILE i 277
THR i 156
 None
PEE  V 202 (-4.6A)
None
 0.75A 3ia4D-5xtcV:
undetectable		 3ia4D-5xtcV:
18.12
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.
6a8m -

(-) 		no annotation 3 ARG A 271
ILE A 261
THR A 214
 None
 0.65A 3ia4D-6a8mA:
undetectable		 3ia4D-6a8mA:
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.
6byq TYROSINE--TRNA
LIGASE

(Helicobacter
pylori) 		no annotation 3 ARG A  30
ILE A  12
THR A 273
 None
 0.74A 3ia4D-6byqA:
undetectable		 3ia4D-6byqA:
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.
6c93 CYTOCHROME P450 4B1

(Oryctolagus
cuniculus) 		no annotation 3 ARG A 220
ILE A 117
THR A 298
 None
 0.70A 3ia4D-6c93A:
undetectable		 3ia4D-6c93A:
18.79