SIMILAR PATTERNS OF AMINO ACIDS FOR 3HJ3_D_MTXD615

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.
1bta BARSTAR

(Bacillus
amyloliquefaciens) 		PF01337
(Barstar) 		6 VAL A  73
ALA A  77
LEU A  49
LEU A  24
ILE A   5
LEU A  16
 None
 1.49A 3hj3D-1btaA:
undetectable		 3hj3D-1btaA:
11.92
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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		8 VAL A   6
ALA A   8
ASP A  27
PHE A  31
THR A  47
ILE A  51
LEU A  55
ARG A  58
 None
None
None
None
SO4  A 200 (-3.7A)
None
None
None
 0.78A 3hj3D-1cz3A:
15.9		 3hj3D-1cz3A:
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.
1ddl DESMODIUM YELLOW
MOTTLE VIRUS

(Desmodium
yellow mottle
virus) 		PF00983
(Tymo_coat) 		5 ALA A  69
LEU A  71
LEU A  59
SER A  57
THR A 150
 None
 1.09A 3hj3D-1ddlA:
undetectable		 3hj3D-1ddlA:
15.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		8 ALA A   9
LEU A  22
PHE A  34
THR A  56
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
None
None
 0.85A 3hj3D-1dr6A:
19.1		 3hj3D-1dr6A:
17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e29 CYTOCHROME C549

(Synechocystis
sp.) 		PF14495
(Cytochrom_C550) 		5 ALA A  62
LEU A  59
LEU A  72
PHE A  75
THR A  46
 HEC  A 201 (-3.6A)
HEC  A 201 (-4.5A)
HEC  A 201 (-4.9A)
HEC  A 201 (-4.1A)
HEC  A 201 ( 4.4A)
 1.09A 3hj3D-1e29A:
undetectable		 3hj3D-1e29A:
13.93
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.
1ifw POLYADENYLATE-BINDIN
G PROTEIN,
CYTOPLASMIC AND
NUCLEAR

(Saccharomyces
cerevisiae) 		PF00658
(PABP) 		5 ALA A  34
SER A  63
THR A  46
ILE A  49
LEU A  60
 None
 1.02A 3hj3D-1ifwA:
undetectable		 3hj3D-1ifwA:
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.
1jf5 ALPHA AMYLASE II

(Thermoactinomyces
vulgaris) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		5 VAL A  25
ALA A  10
PHE A  84
ILE A   6
LEU A  86
 None
 1.09A 3hj3D-1jf5A:
undetectable		 3hj3D-1jf5A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		7 VAL A   5
ASP A  36
LEU A  37
PHE A  40
THR A  55
LEU A  63
ARG A  66
 None
None
None
None
NDP  A 194 (-3.3A)
None
None
 0.99A 3hj3D-1juvA:
6.5		 3hj3D-1juvA:
14.77
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		7 VAL A   5
LEU A  28
LEU A  37
PHE A  40
THR A  55
LEU A  63
ARG A  66
 None
None
None
None
NDP  A 194 (-3.3A)
None
None
 0.83A 3hj3D-1juvA:
6.5		 3hj3D-1juvA:
14.77
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.
1ks5 ENDOGLUCANASE A

(Aspergillus
niger) 		PF01670
(Glyco_hydro_12) 		5 ALA A  97
LEU A 117
THR A  81
ILE A  79
LEU A 196
 None
 0.88A 3hj3D-1ks5A:
undetectable		 3hj3D-1ks5A:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1la2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE

(Saccharomyces
cerevisiae) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		5 ALA A  87
LEU A 164
THR A 443
LEU A  73
TYR A 105
 None
 1.11A 3hj3D-1la2A:
undetectable		 3hj3D-1la2A:
21.96
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.
1m9s INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF09479
(Flg_new)
PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13457
(SH3_8) 		5 VAL A 181
LEU A 193
LEU A 169
ILE A 154
LEU A 135
 None
 1.07A 3hj3D-1m9sA:
undetectable		 3hj3D-1m9sA:
22.32
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 ALA A 243
LEU A 196
THR A 109
ILE A 141
LEU A 166
 SO4  A 373 ( 4.2A)
None
None
None
None
 1.12A 3hj3D-1to6A:
undetectable		 3hj3D-1to6A:
21.95
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.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		7 ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
 0.76A 3hj3D-1u70A:
6.9		 3hj3D-1u70A:
17.85
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		7 ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
None
None
None
 0.82A 3hj3D-1u71A:
19.0		 3hj3D-1u71A:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		9 ALA A   7
LEU A  20
ASP A  27
LEU A  28
PHE A  31
THR A  46
ILE A  50
LEU A  54
ARG A  57
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.72A 3hj3D-1zdrA:
12.1		 3hj3D-1zdrA:
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		9 ALA A  15
LEU A  45
ASP A  53
PHE A  57
SER A  58
ILE A 121
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.71A 3hj3D-2blbA:
18.6		 3hj3D-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ek8 AMINOPEPTIDASE

(Aneurinibacillus
sp. AM-1) 		PF02225
(PA)
PF04389
(Peptidase_M28) 		5 VAL A 323
LEU A 251
LEU A 300
PHE A 361
LEU A 311
 None
 1.09A 3hj3D-2ek8A:
undetectable		 3hj3D-2ek8A:
20.82
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.
2fnu AMINOTRANSFERASE

(Helicobacter
pylori) 		PF01041
(DegT_DnrJ_EryC1) 		5 VAL A  52
ALA A  50
LEU A  45
PHE A  37
ILE A 185
 None
 1.09A 3hj3D-2fnuA:
undetectable		 3hj3D-2fnuA:
20.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 VAL A  26
ALA A  28
ASP A  48
PHE A  52
THR A  80
ILE A  84
ARG A  94
TYR A 160
 None
NAP  A 523 (-3.7A)
None
None
NAP  A 523 (-3.5A)
None
None
None
 0.52A 3hj3D-2h2qA:
4.0		 3hj3D-2h2qA:
42.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 VAL A  26
ALA A  28
ASP A  48
PHE A  52
THR A  80
ILE A  84
LEU A  91
ARG A  94
 None
NAP  A 523 (-3.7A)
None
None
NAP  A 523 (-3.5A)
None
None
None
 0.74A 3hj3D-2h2qA:
4.0		 3hj3D-2h2qA:
42.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hf0 BILE SALT HYDROLASE

(Bifidobacterium
longum) 		PF02275
(CBAH) 		5 VAL A  41
ALA A  44
LEU A 127
SER A 129
TYR A  38
 None
 0.97A 3hj3D-2hf0A:
undetectable		 3hj3D-2hf0A:
18.63
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.
2nsm CARBOXYPEPTIDASE N
CATALYTIC CHAIN

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		5 VAL A  59
ALA A 193
LEU A 195
LEU A 311
LEU A  83
 None
 1.08A 3hj3D-2nsmA:
undetectable		 3hj3D-2nsmA:
22.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		12 VAL A   9
ALA A  11
LEU A  25
ASP A  32
LEU A  33
PHE A  36
SER A  37
THR A  58
ILE A  62
LEU A  67
ARG A  70
TYR A 119
 MTX  A 605 ( 4.0A)
MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.1A)
MTX  A 605 ( 2.9A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
 0.43A 3hj3D-2oipA:
50.9		 3hj3D-2oipA:
99.61
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.
2oqb HISTONE-ARGININE
METHYLTRANSFERASE
CARM1

(Rattus
norvegicus) 		PF11531
(CARM1) 		5 VAL A  30
ALA A  63
LEU A 125
ILE A 110
LEU A  72
 None
 1.08A 3hj3D-2oqbA:
undetectable		 3hj3D-2oqbA:
11.75
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.
2p14 HETERODIMERIC
RESTRICTION
ENDONUCLEASE
R.BSPD6I SMALL
SUBUNIT

(Bacillus sp. D6) 		PF09491
(RE_AlwI) 		5 VAL A 142
LEU A 161
LEU A 133
PHE A 138
ILE A  72
 None
 1.07A 3hj3D-2p14A:
2.6		 3hj3D-2p14A:
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.
2pi5 DNA-DIRECTED RNA
POLYMERASE

(Escherichia
virus T7) 		PF00940
(RNA_pol)
PF14700
(RPOL_N) 		5 VAL A 828
ALA A 798
LEU A 809
PHE A 814
SER A 813
 None
 1.02A 3hj3D-2pi5A:
undetectable		 3hj3D-2pi5A:
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.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		7 ALA A   8
LEU A  21
LEU A  29
ILE A  51
LEU A  55
ARG A  58
TYR A 102
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
 0.81A 3hj3D-2qk8A:
17.3		 3hj3D-2qk8A:
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.
2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Mycobacterium
tuberculosis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 VAL A 165
ALA A 163
LEU A  98
SER A  69
ILE A 103
 None
 1.07A 3hj3D-2qnyA:
undetectable		 3hj3D-2qnyA:
20.55
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		8 VAL A   9
ALA A  11
ASP A  31
LEU A  32
PHE A  35
THR A  50
ARG A  64
TYR A 108
 VG9  A1168 (-4.2A)
VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 3.7A)
None
 0.71A 3hj3D-2w3wA:
17.7		 3hj3D-2w3wA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		8 VAL A   9
ALA A  11
ASP A  31
LEU A  32
PHE A  35
THR A  50
LEU A  61
ARG A  64
 VG9  A1168 (-4.2A)
VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
 0.89A 3hj3D-2w3wA:
17.7		 3hj3D-2w3wA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		9 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
 0.78A 3hj3D-2w9sA:
11.8		 3hj3D-2w9sA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yhg CELLULOSE-BINDING
PROTEIN

(Saccharophagus
degradans) 		PF07632
(DUF1593) 		5 VAL A 548
LEU A 745
ASP A 810
PHE A 811
LEU A 716
 None
None
BTB  A1945 (-2.7A)
None
None
 0.73A 3hj3D-2yhgA:
undetectable		 3hj3D-2yhgA:
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.
2ypq PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE AROG

(Mycobacterium
tuberculosis) 		PF01474
(DAHP_synth_2) 		5 LEU A 252
ASP A 273
THR A 285
ILE A 293
LEU A 323
 None
 0.98A 3hj3D-2ypqA:
undetectable		 3hj3D-2ypqA:
20.82
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.
3a0g HEMOGLOBIN SUBUNIT
BETA

(Cavia porcellus) 		PF00042
(Globin) 		5 VAL B 137
LEU B  68
PHE B  71
SER B  72
ILE B 114
 None
 0.68A 3hj3D-3a0gB:
undetectable		 3hj3D-3a0gB:
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		7 ALA A   6
LEU A  19
ASP A  26
LEU A  27
PHE A  30
LEU A  54
ARG A  57
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
 0.54A 3hj3D-3dfrA:
4.9		 3hj3D-3dfrA:
14.29
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		7 ALA A   6
LEU A  19
ASP A  26
LEU A  27
PHE A  30
THR A  45
LEU A  54
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
 0.48A 3hj3D-3dfrA:
4.9		 3hj3D-3dfrA:
14.29
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		8 ALA A  16
LEU A  46
ASP A  54
PHE A  58
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.3A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
 0.75A 3hj3D-3dg8A:
19.0		 3hj3D-3dg8A:
19.32
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.
3dm8 UNCHARACTERIZED
PROTEIN RPA4348

(Rhodopseudomonas
palustris) 		PF12680
(SnoaL_2) 		5 VAL A  88
LEU A 128
LEU A  92
ILE A  63
LEU A  17
 None
 1.04A 3hj3D-3dm8A:
undetectable		 3hj3D-3dm8A:
13.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fjv UNCHARACTERIZED
NOVEL PROTEIN

(Burkholderia
pseudomallei) 		PF12007
(DUF3501) 		5 LEU A 158
ASP A 191
LEU A  86
ILE A 166
LEU A  42
 None
 1.06A 3hj3D-3fjvA:
undetectable		 3hj3D-3fjvA:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		9 ALA X   7
LEU X  20
ASP X  27
LEU X  28
THR X  46
ILE X  50
LEU X  54
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
None
 0.84A 3hj3D-3i8aX:
11.8		 3hj3D-3i8aX:
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.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		8 ALA A   8
LEU A  29
PHE A  32
THR A  47
ILE A  51
LEU A  55
ARG A  58
TYR A 102
 MTX  A 164 ( 3.7A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
None
 0.60A 3hj3D-3ia4A:
17.4		 3hj3D-3ia4A:
15.22
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.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		7 ALA A  10
LEU A  23
LEU A  31
PHE A  34
THR A  49
LEU A  58
ARG A  61
 MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.4A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
 0.60A 3hj3D-3ix9A:
18.1		 3hj3D-3ix9A:
16.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  16
ASP A  37
THR A  69
ILE A  73
LEU A  80
ARG A  83
TYR A 129
 NAP  A 512 (-3.7A)
None
NAP  A 512 (-3.6A)
None
None
None
None
 0.56A 3hj3D-3kjrA:
43.2		 3hj3D-3kjrA:
46.92
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.
3kyf PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
putida) 		PF07238
(PilZ)
PF07317
(YcgR) 		5 LEU A 220
LEU A 192
PHE A 184
ILE A 158
LEU A 155
 None
 1.03A 3hj3D-3kyfA:
undetectable		 3hj3D-3kyfA:
16.80
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.
3n6o GUANINE NUCLEOTIDE
EXCHANGE FACTOR

(Legionella
pneumophila) 		PF14860
(DrrA_P4M) 		5 ALA A 492
LEU A 530
SER A 624
ILE A 571
LEU A 604
 None
 1.04A 3hj3D-3n6oA:
undetectable		 3hj3D-3n6oA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ohw PHYCOBILISOME LCM
CORE-MEMBRANE LINKER
POLYPEPTIDE

(Synechocystis
sp. PCC 6803) 		no annotation 5 VAL B 735
LEU B 781
LEU B 763
SER B 765
ILE B 756
 None
 1.04A 3hj3D-3ohwB:
undetectable		 3hj3D-3ohwB:
15.83
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.
3ouk PROBABLE CONSERVED
TRANSMEMBRANE
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 5 VAL A 164
ALA A 135
THR A 260
ILE A 232
LEU A 192
 None
 0.97A 3hj3D-3oukA:
undetectable		 3hj3D-3oukA:
19.83
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 VAL A  32
ALA A  34
ASP A  54
PHE A  58
LEU A  97
ARG A 100
 WRA  A 602 (-4.3A)
WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
None
None
 0.65A 3hj3D-3rg9A:
18.4		 3hj3D-3rg9A:
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		7 VAL A  32
ALA A  34
ASP A  54
PHE A  58
THR A  86
ARG A 100
TYR A 166
 WRA  A 602 (-4.3A)
WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
None
None
 0.53A 3hj3D-3rg9A:
18.4		 3hj3D-3rg9A:
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.
3rzu STAM-BINDING PROTEIN

(Homo sapiens) 		PF01398
(JAB) 		5 VAL A 411
LEU A 263
LEU A 285
SER A 362
THR A 374
 None
 1.08A 3hj3D-3rzuA:
undetectable		 3hj3D-3rzuA:
16.43
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		9 ALA A   8
LEU A  21
ASP A  28
LEU A  29
PHE A  32
THR A  47
ILE A  51
LEU A  55
ARG A  58
 MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 0.71A 3hj3D-3tq9A:
8.7		 3hj3D-3tq9A:
19.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 LEU A  46
ASP A  54
PHE A  58
THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.85A 3hj3D-3um6A:
39.3		 3hj3D-3um6A:
40.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 VAL A 213
LEU A 362
PHE A 571
ILE A 522
LEU A 369
 None
 1.09A 3hj3D-3um6A:
39.3		 3hj3D-3um6A:
40.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v5r PROTEIN GAL3

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 ALA A 357
LEU A 382
THR A 274
ILE A 271
LEU A 370
 None
 1.05A 3hj3D-3v5rA:
undetectable		 3hj3D-3v5rA:
22.00
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		9 VAL A   6
ALA A   8
ASP A  28
PHE A  32
THR A  53
ILE A  57
LEU A  64
ARG A  67
TYR A 117
 None
None
None
None
SO4  A 201 (-3.7A)
None
None
None
None
 0.76A 3hj3D-3vcoA:
16.4		 3hj3D-3vcoA:
16.64
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.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 VAL A 986
ALA A 347
PHE A 982
SER A 979
LEU A 937
 None
 1.01A 3hj3D-3w9hA:
undetectable		 3hj3D-3w9hA:
18.95
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.
3wkm PUTATIVE ZINC
METALLOPROTEASE
AQ_1964

(Aquifex
aeolicus) 		PF00595
(PDZ)
PF13180
(PDZ_2) 		5 VAL A 154
LEU A 179
THR A 175
ILE A 190
LEU A 201
 None
 1.12A 3hj3D-3wkmA:
undetectable		 3hj3D-3wkmA:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		7 ALA X  12
LEU X  25
PHE X  36
THR X  61
ILE X  65
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
 0.67A 3hj3D-4g8zX:
4.5		 3hj3D-4g8zX:
17.85
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		7 ALA X  12
LEU X  25
PHE X  36
THR X  61
ILE X  65
LEU X  72
ARG X  75
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
 0.87A 3hj3D-4g8zX:
4.5		 3hj3D-4g8zX:
17.85
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		7 ALA X  12
PHE X  36
SER X  37
THR X  61
ILE X  65
LEU X  72
ARG X  75
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
None
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
 0.95A 3hj3D-4g8zX:
4.5		 3hj3D-4g8zX:
17.85
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.
4gou EHRGS-RHOGEF

(Entamoeba
histolytica) 		PF00615
(RGS)
PF00621
(RhoGEF) 		5 LEU A 322
PHE A 212
SER A 213
ILE A 288
LEU A 222
 None
 0.90A 3hj3D-4gouA:
undetectable		 3hj3D-4gouA:
23.23
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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		7 ALA A  11
PHE A  36
THR A  58
ILE A  62
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
None
None
 0.76A 3hj3D-4h96A:
4.5		 3hj3D-4h96A:
17.92
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		7 ALA A  11
LEU A  25
PHE A  36
THR A  58
ILE A  62
ARG A  72
TYR A 127
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.2A)
None
None
 0.56A 3hj3D-4h98A:
9.6		 3hj3D-4h98A:
21.17
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		7 ALA A  11
LEU A  25
PHE A  36
THR A  58
ILE A  62
LEU A  69
ARG A  72
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.2A)
None
None
 0.71A 3hj3D-4h98A:
9.6		 3hj3D-4h98A:
21.17
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.
4hgv FUMARATE HYDRATASE
CLASS II

(Sinorhizobium
meliloti) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 LEU A 418
ASP A 413
LEU A 412
THR A 468
ILE A 470
 None
 0.98A 3hj3D-4hgvA:
undetectable		 3hj3D-4hgvA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lji CYTOCHROME
C-550-LIKE PROTEIN

(Thermosynechococcus
elongatus) 		PF14495
(Cytochrom_C550) 		5 ALA A  72
LEU A  69
LEU A  82
PHE A  85
THR A  56
 HEM  A 301 ( 3.7A)
HEM  A 301 ( 4.8A)
None
HEM  A 301 (-4.1A)
HEM  A 301 (-4.1A)
 1.04A 3hj3D-4ljiA:
undetectable		 3hj3D-4ljiA:
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.
4lxr PROTEIN TOLL

(Drosophila
melanogaster) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 LEU A 381
LEU A 397
SER A 422
ILE A 405
LEU A 445
 None
 1.10A 3hj3D-4lxrA:
undetectable		 3hj3D-4lxrA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
PHE A  31
LEU A  57
ARG A  60
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
TMQ  A 202 (-4.0A)
None
None
 0.72A 3hj3D-4m2xA:
11.6		 3hj3D-4m2xA:
18.31
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
PHE A  31
THR A  46
ARG A  60
TYR A 100
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
None
None
 0.63A 3hj3D-4m2xA:
11.6		 3hj3D-4m2xA:
18.31
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.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		8 ALA A   7
LEU A  20
ASP A  27
LEU A  28
PHE A  31
THR A  46
LEU A  55
ARG A  58
 RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
 0.72A 3hj3D-4m7vA:
17.5		 3hj3D-4m7vA:
16.87
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.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		7 ALA A   7
ASP A  27
PHE A  31
THR A  46
ILE A  50
ARG A  57
TYR A 100
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.1A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
None
 0.53A 3hj3D-4p68A:
11.7		 3hj3D-4p68A:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q9z HUMAN PROTEIN KINASE
C THETA

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		5 ALA A 481
LEU A 466
LEU A 568
ILE A 520
LEU A 492
 None
 1.03A 3hj3D-4q9zA:
undetectable		 3hj3D-4q9zA:
20.30
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.
4zpj EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Sphaerobacter
thermophilus) 		PF13458
(Peripla_BP_6) 		5 ALA A 111
LEU A 108
LEU A 378
ILE A 174
LEU A 395
 None
 1.09A 3hj3D-4zpjA:
undetectable		 3hj3D-4zpjA:
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.
5csc CITRATE SYNTHASE

(Gallus gallus) 		PF00285
(Citrate_synt) 		5 LEU B 128
LEU B 120
ILE B 145
LEU B 178
TYR B 392
 None
 1.08A 3hj3D-5cscB:
undetectable		 3hj3D-5cscB:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dhm IMMUNOREACTIVE 32
KDA ANTIGEN

(Porphyromonas
gingivalis) 		no annotation 5 VAL C 213
ALA C 289
LEU C 315
THR C 279
ILE C 277
 None
 1.09A 3hj3D-5dhmC:
undetectable		 3hj3D-5dhmC:
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		6 ALA A   7
PHE A  48
THR A  63
ILE A  67
ARG A  74
TYR A 117
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
 0.62A 3hj3D-5dxvA:
10.3		 3hj3D-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		6 ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
ARG A  74
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
 0.73A 3hj3D-5dxvA:
10.3		 3hj3D-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		5 LEU A  45
PHE A  48
ILE A  67
LEU A  71
ARG A  74
 PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
 0.98A 3hj3D-5dxvA:
10.3		 3hj3D-5dxvA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
PHE A  31
THR A  46
LEU A  53
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-4.1A)
NAP  A 201 (-3.2A)
5N1  A 202 ( 4.7A)
None
 0.48A 3hj3D-5ecxA:
18.3		 3hj3D-5ecxA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ez3 ACYL-COA
DEHYDROGENASE

(Brucella
melitensis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		5 VAL A 186
ALA A 232
LEU A 234
LEU A 154
SER A 165
 None
 1.12A 3hj3D-5ez3A:
undetectable		 3hj3D-5ez3A:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ALA A   8
THR A  47
ILE A  51
LEU A  55
ARG A  58
TYR A 101
 None
 1.23A 3hj3D-5fdaA:
12.3		 3hj3D-5fdaA:
16.80
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.
5gm3 ENDOGLUCANASE-1

(Aspergillus
aculeatus) 		PF01670
(Glyco_hydro_12) 		5 ALA A  99
LEU A 119
THR A  83
ILE A  81
LEU A 194
 None
 0.92A 3hj3D-5gm3A:
undetectable		 3hj3D-5gm3A:
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.
5i5d INNER MEMBRANE
PROTEIN YEJM

(Salmonella
enterica) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		5 ALA A 420
LEU A 270
LEU A 282
ILE A 265
LEU A 431
 None
 1.10A 3hj3D-5i5dA:
2.4		 3hj3D-5i5dA:
20.80
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.
5k1c WD REPEAT-CONTAINING
PROTEIN 20

(Homo sapiens) 		PF00400
(WD40) 		5 VAL C 296
ALA C 298
LEU C 522
LEU C 285
SER C 260
 None
 1.09A 3hj3D-5k1cC:
undetectable		 3hj3D-5k1cC:
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.
5ktl 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Trichormus
variabilis) 		PF00701
(DHDPS) 		5 LEU A 246
LEU A 212
THR A  47
ILE A  12
LEU A  29
 None
None
KPI  A 164 ( 3.5A)
None
None
 0.93A 3hj3D-5ktlA:
undetectable		 3hj3D-5ktlA:
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.
5kzs PUTATIVE CELL
SURFACE PROTEIN,
SIMILAR TO
INTERNALIN PROTEINS

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF13855
(LRR_8) 		5 VAL A 345
ASP A 349
PHE A 347
ILE A 267
LEU A 295
 None
 1.07A 3hj3D-5kzsA:
undetectable		 3hj3D-5kzsA:
20.82
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.
5liv CYTOCHROME P450
CYP260A1,CYTOCHROME
P450 CYP260A1

(Sorangium
cellulosum) 		PF00067
(p450) 		5 VAL A 162
LEU A 443
LEU A 174
PHE A 178
LEU A 404
 None
SO4  A 508 (-4.0A)
None
None
None
 1.11A 3hj3D-5livA:
undetectable		 3hj3D-5livA:
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.
5m2d ENDOGLUCANASE-LIKE
PROTEIN

(Acremonium
chrysogenum) 		no annotation 5 ALA A 104
LEU A 124
THR A  88
ILE A  86
LEU A 199
 None
 0.81A 3hj3D-5m2dA:
undetectable		 3hj3D-5m2dA:
18.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  10
LEU A  23
ASP A  31
PHE A  35
SER A  36
THR A  83
LEU A  94
ARG A  97
 73X  A 704 (-4.0A)
None
73X  A 704 (-2.8A)
73X  A 704 (-3.2A)
None
NDP  A 702 (-3.2A)
None
None
 0.66A 3hj3D-5t0lA:
43.9		 3hj3D-5t0lA:
44.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 VAL A   8
ALA A  10
LEU A  23
ASP A  31
PHE A  35
SER A  36
THR A  83
ARG A  97
TYR A 157
 73X  A 704 (-3.7A)
73X  A 704 (-4.0A)
None
73X  A 704 (-2.8A)
73X  A 704 (-3.2A)
None
NDP  A 702 (-3.2A)
None
None
 0.48A 3hj3D-5t0lA:
43.9		 3hj3D-5t0lA:
44.66
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.
5xmi VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 4

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF04212
(MIT) 		6 VAL A 130
ALA A 187
LEU A 273
LEU A 145
ILE A 296
LEU A 138
 None
 1.34A 3hj3D-5xmiA:
undetectable		 3hj3D-5xmiA:
23.23
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.
5xni MCYF

(Microcystis
aeruginosa) 		no annotation 5 LEU A 182
LEU A 126
SER A 195
ILE A 175
LEU A 166
 None
None
DGL  A 301 (-2.8A)
None
None
 1.12A 3hj3D-5xniA:
undetectable		 3hj3D-5xniA:
9.40
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.
5yt0 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2

(Aeropyrum
pernix) 		no annotation 5 ALA A 140
LEU A 172
LEU A 192
PHE A 193
THR A 160
 None
 0.97A 3hj3D-5yt0A:
undetectable		 3hj3D-5yt0A:
9.21
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.
6bdc HCP1

(Flavobacterium
johnsoniae) 		no annotation 5 LEU A  83
PHE A  85
SER A  68
ILE A  44
LEU A   7
 None
 1.03A 3hj3D-6bdcA:
undetectable		 3hj3D-6bdcA:
12.02
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.
6cfw MBH SUBUNIT
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT C
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT D

(Pyrococcus
furiosus) 		no annotation 6 LEU E  17
LEU H 182
PHE H 179
SER H 178
ILE G  17
LEU H 175
 None
 1.46A 3hj3D-6cfwE:
undetectable		 3hj3D-6cfwE:
9.92
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 5 ALA A   8
ASP A  28
PHE A  32
LEU A  58
ARG A  61
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
 0.66A 3hj3D-6cxmA:
11.6		 3hj3D-6cxmA:
10.27
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ALA A   8
ASP A  28
PHE A  32
THR A  47
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-2.8A)
None
 0.57A 3hj3D-6cxmA:
11.6		 3hj3D-6cxmA:
10.27
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.
6e4e -

(-) 		no annotation 8 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
 0.76A 3hj3D-6e4eA:
11.7		 3hj3D-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.
6f85 CYTOCHROME P450
CYP260A1

(Sorangium
cellulosum) 		no annotation 5 VAL A 112
LEU A 393
LEU A 124
PHE A 128
LEU A 354
 None
 1.11A 3hj3D-6f85A:
undetectable		 3hj3D-6f85A:
10.71