SIMILAR PATTERNS OF AMINO ACIDS FOR 4ECK_A_FOLA703

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.
1c7g TYROSINE
PHENOL-LYASE

(Pantoea
agglomerans) 		PF01212
(Beta_elim_lyase) 		5 VAL A 376
LEU A 366
LEU A 325
VAL A 322
THR A  35
 None
 1.11A 4eckA-1c7gA:
undetectable		 4eckA-1c7gA:
22.92
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) 		6 VAL A   6
ALA A   8
PHE A  31
LEU A  55
ARG A  58
THR A 121
 None
 0.94A 4eckA-1cz3A:
16.8		 4eckA-1cz3A:
15.92
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.
1d2r PROTEIN
(TRYPTOPHANYL TRNA
SYNTHETASE)

(Geobacillus
stearothermophilus) 		PF00579
(tRNA-synt_1b) 		5 ALA A 130
LEU A 128
PHE A   5
SER A   6
THR A 154
 None
 1.21A 4eckA-1d2rA:
undetectable		 4eckA-1d2rA:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		6 ALA A   9
LEU A  22
PHE A  34
LEU A  67
ARG A  70
THR A 136
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-4.1A)
None
None
HBI  A 198 ( 4.5A)
 0.53A 4eckA-1dr6A:
22.1		 4eckA-1dr6A:
16.37
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.
1ewx TRYPAREDOXIN I

(Crithidia
fasciculata) 		PF13905
(Thioredoxin_8) 		5 VAL A 115
PHE A  35
PHE A  33
LEU A   8
THR A 124
 None
 1.24A 4eckA-1ewxA:
undetectable		 4eckA-1ewxA:
12.25
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.
1h7z ADENOVIRUS FIBRE
PROTEIN

(Human
mastadenovirus
B) 		PF00541
(Adeno_knob) 		5 VAL A 271
PHE A 312
SER A 313
LEU A 160
VAL A 161
 None
 1.21A 4eckA-1h7zA:
undetectable		 4eckA-1h7zA:
15.33
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.
1jl0 S-ADENOSYLMETHIONINE
DECARBOXYLASE
PROENZYME

(Homo sapiens) 		PF01536
(SAM_decarbox) 		5 VAL A  64
ALA A  62
PHE A 255
VAL A 253
THR A  55
 None
 1.22A 4eckA-1jl0A:
undetectable		 4eckA-1jl0A:
19.45
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 VAL A   5
LEU A  28
PHE A  40
LEU A  63
ARG A  66
 None
 1.04A 4eckA-1juvA:
14.8		 4eckA-1juvA:
15.93
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.
1k0g P-AMINOBENZOATE
SYNTHASE COMPONENT I

(Escherichia
coli) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 VAL A 136
PHE A 362
PHE A 110
PHE A 260
THR A  59
 None
 1.22A 4eckA-1k0gA:
undetectable		 4eckA-1k0gA:
21.73
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.
1lqt FPRA

(Mycobacterium
tuberculosis) 		PF07992
(Pyr_redox_2) 		5 VAL A 223
ALA A 256
PHE A 271
PHE A 269
LEU A 160
 None
 1.09A 4eckA-1lqtA:
undetectable		 4eckA-1lqtA:
23.31
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.
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 VAL A 530
LEU A 482
PHE A 524
PHE A 527
LEU A  99
 None
 1.17A 4eckA-1tmoA:
undetectable		 4eckA-1tmoA:
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.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		6 ALA A   9
PHE A  31
PHE A  34
LEU A  67
ARG A  70
THR A 136
 NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
MTX  A 187 (-4.3A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
MTX  A 187 (-4.4A)
 0.54A 4eckA-1u70A:
21.7		 4eckA-1u70A:
14.92
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		5 ALA A   9
PHE A  34
LEU A  67
ARG A  70
THR A 136
 MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
None
None
MXA  A 187 (-4.3A)
 0.53A 4eckA-1u71A:
21.8		 4eckA-1u71A:
15.20
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.
1ydn HYDROXYMETHYLGLUTARY
L-COA LYASE

(Brucella
melitensis) 		PF00682
(HMGL-like) 		5 VAL A 125
LEU A  78
SER A 118
LEU A 164
VAL A 160
 None
 1.02A 4eckA-1ydnA:
undetectable		 4eckA-1ydnA:
19.97
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.
1yz1 TRANSLATIONALLY
CONTROLLED TUMOR
PROTEIN

(Homo sapiens) 		PF00838
(TCTP) 		5 VAL A  31
LEU A  78
PHE A  14
MET A 145
LEU A 167
 None
 1.23A 4eckA-1yz1A:
undetectable		 4eckA-1yz1A:
13.79
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.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		5 VAL A 274
ALA A 314
LEU A 217
PHE A 266
PHE A 264
 None
 1.23A 4eckA-1zapA:
undetectable		 4eckA-1zapA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		6 ALA A   7
LEU A  20
PHE A  31
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.73A 4eckA-1zdrA:
18.9		 4eckA-1zdrA:
14.59
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.
1zli CARBOXYPEPTIDASE B

(Homo sapiens) 		PF00246
(Peptidase_M14) 		5 VAL A 300
ALA A 296
PHE A 267
SER A 266
LEU A 219
 None
 1.19A 4eckA-1zliA:
undetectable		 4eckA-1zliA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ALA A  15
LEU A  45
PHE A  57
SER A  58
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 ( 4.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.62A 4eckA-2blbA:
20.8		 4eckA-2blbA:
15.37
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.
2bra NEDD9 INTERACTING
PROTEIN WITH
CALPONIN HOMOLOGY
AND LIM DOMAINS

(Mus musculus) 		PF01494
(FAD_binding_3) 		5 VAL A 167
LEU A 160
PHE A 410
PHE A 130
ARG A  70
 None
 1.24A 4eckA-2braA:
undetectable		 4eckA-2braA:
21.02
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) 		5 ALA A  28
PHE A  88
LEU A  91
ARG A  94
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
 0.65A 4eckA-2h2qA:
38.7		 4eckA-2h2qA:
43.97
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) 		6 VAL A  26
ALA A  28
PHE A  52
LEU A  91
ARG A  94
THR A 178
 None
NAP  A 523 (-3.7A)
None
None
None
None
 0.68A 4eckA-2h2qA:
38.7		 4eckA-2h2qA:
43.97
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.
2h6t CANDIDAPEPSIN-3

(Candida
albicans) 		PF00026
(Asp) 		5 VAL A 274
ALA A 314
LEU A 217
PHE A 266
PHE A 264
 None
 1.19A 4eckA-2h6tA:
undetectable		 4eckA-2h6tA:
19.09
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) 		8 VAL A   9
ALA A  11
LEU A  25
PHE A  36
SER A  37
LEU A  67
ARG A  70
THR A 134
 MTX  A 605 ( 4.0A)
MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.1A)
MTX  A 605 ( 2.9A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
MTX  A 605 ( 4.2A)
 0.81A 4eckA-2oipA:
42.9		 4eckA-2oipA:
42.90
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.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		5 ALA A   8
LEU A  21
LEU A  55
ARG A  58
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.4A)
 0.70A 4eckA-2qk8A:
18.9		 4eckA-2qk8A:
14.74
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.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		6 VAL A 274
ALA A 314
LEU A 217
PHE A 266
PHE A 264
VAL A 230
 None
 1.45A 4eckA-2qzwA:
undetectable		 4eckA-2qzwA:
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) 		6 VAL A   9
ALA A  11
PHE A  35
LEU A  61
ARG A  64
THR A 121
 VG9  A1168 (-4.2A)
VG9  A1168 ( 3.8A)
VG9  A1168 (-3.9A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.7A)
 0.88A 4eckA-2w3wA:
19.9		 4eckA-2w3wA:
16.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ALA A   7
LEU A  20
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
None
None
TOP  A1160 ( 4.5A)
 0.75A 4eckA-2w9sA:
19.3		 4eckA-2w9sA:
14.66
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.
2wxz ANGIOTENSINOGEN

(Rattus
norvegicus) 		PF00079
(Serpin) 		5 ALA A 376
PHE A 112
SER A 111
VAL A 175
THR A 120
 None
 1.19A 4eckA-2wxzA:
undetectable		 4eckA-2wxzA:
23.82
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.
2wy0 ANGIOTENSINOGEN

(Mus musculus) 		PF00079
(Serpin) 		5 ALA C 376
PHE C 112
SER C 111
VAL C 175
THR C 120
 None
 1.15A 4eckA-2wy0C:
undetectable		 4eckA-2wy0C:
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.
2yjv REGULATOR OF
RIBONUCLEASE
ACTIVITY A

(Escherichia
coli) 		PF03737
(RraA-like) 		5 VAL A  96
ALA A 113
PHE A  23
PHE A 138
VAL A  60
 None
 1.20A 4eckA-2yjvA:
undetectable		 4eckA-2yjvA:
12.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c5c RAS-LIKE PROTEIN 12

(Homo sapiens) 		PF00071
(Ras) 		5 VAL A 144
PHE A 106
PHE A 156
LEU A 131
VAL A  96
 None
 1.02A 4eckA-3c5cA:
undetectable		 4eckA-3c5cA:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ck2 CONSERVED
UNCHARACTERIZED
PROTEIN (PREDICTED
PHOSPHOESTERASE
COG0622)

(Streptococcus
pneumoniae) 		PF12850
(Metallophos_2) 		5 VAL A  30
ALA A  32
PHE A 156
LEU A 157
VAL A 163
 None
None
None
None
SRT  A 301 ( 4.3A)
 1.20A 4eckA-3ck2A:
undetectable		 4eckA-3ck2A:
13.94
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.
3cnc FIBER PROTEIN

(Human
mastadenovirus
B) 		PF00541
(Adeno_knob) 		5 VAL A 305
PHE A 346
SER A 347
LEU A 190
VAL A 191
 None
 1.16A 4eckA-3cncA:
undetectable		 4eckA-3cncA:
16.75
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
LEU A  19
PHE A  30
LEU A  54
ARG A  57
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 4.0A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.88A 4eckA-3dfrA:
19.6		 4eckA-3dfrA:
14.26
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ALA A  16
LEU A  46
PHE A  58
PHE A 116
LEU A 119
ARG A 122
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-4.3A)
None
RJ6  A 609 (-4.4A)
None
RJ6  A 609 ( 4.5A)
 0.71A 4eckA-3dg8A:
21.2		 4eckA-3dg8A:
18.78
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.
3ep7 S-ADENOSYLMETHIONINE
DECARBOXYLASE ALPHA
CHAIN
S-ADENOSYLMETHIONINE
DECARBOXYLASE BETA
CHAIN

(Homo sapiens;
Homo sapiens) 		PF01536
(SAM_decarbox)
PF01536
(SAM_decarbox) 		5 VAL B  64
ALA B  62
PHE A 255
VAL A 253
THR B  55
 PYR  A  68 (-3.6A)
None
None
None
None
 1.19A 4eckA-3ep7B:
undetectable		 4eckA-3ep7B:
7.25
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.
3h1v GLUCOKINASE

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 VAL X 181
ALA X 176
LEU X 122
PHE X 171
SER X 151
 None
None
None
None
GLC  X 500 (-4.5A)
 1.26A 4eckA-3h1vX:
undetectable		 4eckA-3h1vX:
23.05
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.
3i3t UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 21

(Homo sapiens) 		PF00443
(UCH) 		5 LEU A 461
PHE A 420
PHE A 423
PHE A 455
LEU A 378
 None
 1.03A 4eckA-3i3tA:
undetectable		 4eckA-3i3tA:
19.09
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ALA X   7
LEU X  20
LEU X  54
ARG X  57
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
None
None
N22  X 219 (-4.4A)
 0.83A 4eckA-3i8aX:
19.4		 4eckA-3i8aX:
14.68
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.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		5 ALA A   8
PHE A  32
LEU A  55
ARG A  58
THR A 115
 MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.3A)
 0.71A 4eckA-3ia4A:
19.3		 4eckA-3ia4A:
15.09
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.
3iuz PUTATIVE GLYOXALASE
SUPERFAMILY PROTEIN

(Cupriavidus
pinatubonensis) 		PF07063
(DUF1338) 		5 ALA A 101
LEU A 170
PHE A 203
LEU A  48
VAL A  51
 None
 1.05A 4eckA-3iuzA:
undetectable		 4eckA-3iuzA:
21.22
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
PHE A  34
MET A  53
LEU A  58
ARG A  61
THR A 119
 MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 (-4.4A)
MTX  A 200 ( 4.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
MTX  A 200 ( 4.5A)
 0.99A 4eckA-3ix9A:
19.2		 4eckA-3ix9A:
15.57
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.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		5 VAL A 100
LEU A  23
PHE A  34
LEU A  58
ARG A  61
 MTX  A 200 ( 4.0A)
NDP  A 193 ( 4.1A)
MTX  A 200 (-4.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
 1.13A 4eckA-3ix9A:
19.2		 4eckA-3ix9A:
15.57
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.
3m62 UBIQUITIN
CONJUGATION FACTOR
E4

(Saccharomyces
cerevisiae) 		PF04564
(U-box)
PF10408
(Ufd2P_core) 		5 ALA A 476
LEU A 393
PHE A 558
LEU A 584
VAL A 587
 None
 1.25A 4eckA-3m62A:
undetectable		 4eckA-3m62A:
21.89
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.
3nx4 PUTATIVE
OXIDOREDUCTASE

(Salmonella
enterica) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A  34
ALA A  99
LEU A  25
PHE A  65
LEU A 109
 None
 1.21A 4eckA-3nx4A:
undetectable		 4eckA-3nx4A:
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.
3pxl LACCASE

(Trametes
hirsuta) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 VAL A 322
ALA A 378
LEU A 374
PHE A 441
VAL A 437
 None
 0.87A 4eckA-3pxlA:
undetectable		 4eckA-3pxlA:
19.94
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.
3q3w 3-ISOPROPYLMALATE
DEHYDRATASE SMALL
SUBUNIT

(Campylobacter
jejuni) 		PF00694
(Aconitase_C) 		5 LEU A  92
PHE A  79
PHE A 105
SER A 104
VAL A 128
 None
 1.25A 4eckA-3q3wA:
undetectable		 4eckA-3q3wA:
16.59
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 VAL A  32
ALA A  34
PHE A  58
LEU A  97
ARG A 100
THR A 184
 WRA  A 602 (-4.3A)
WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
None
None
WRA  A 602 (-4.2A)
 0.74A 4eckA-3rg9A:
22.1		 4eckA-3rg9A:
20.47
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 VAL A  32
PHE A  58
PHE A  94
LEU A  97
ARG A 100
 WRA  A 602 (-4.3A)
WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
None
None
 0.84A 4eckA-3rg9A:
22.1		 4eckA-3rg9A:
20.47
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.
3s88 16F6 - HEAVY CHAIN
ENVELOPE
GLYCOPROTEIN

(Mus musculus;
Sudan
ebolavirus) 		PF07654
(C1-set)
PF07686
(V-set)
PF01611
(Filo_glycop) 		5 PHE H  27
SER H  25
LEU H   4
VAL H   5
THR I  46
 None
 1.14A 4eckA-3s88H:
undetectable		 4eckA-3s88H:
16.89
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.
3sdo NITRILOTRIACETATE
MONOOXYGENASE

(Burkholderia
pseudomallei) 		PF00296
(Bac_luciferase) 		6 VAL A 382
ALA A 386
PHE A 367
SER A 376
LEU A 412
VAL A 411
 None
None
None
None
None
EDO  A 451 ( 4.1A)
 1.48A 4eckA-3sdoA:
undetectable		 4eckA-3sdoA:
20.81
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.
3sky COPPER-EXPORTING
P-TYPE ATPASE B

(Archaeoglobus
fulgidus) 		PF00702
(Hydrolase) 		5 VAL A 596
LEU A 526
PHE A 388
LEU A 615
THR A 578
 None
 1.15A 4eckA-3skyA:
undetectable		 4eckA-3skyA:
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		6 ALA A   8
LEU A  21
PHE A  32
LEU A  55
ARG A  58
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 (-4.3A)
 0.69A 4eckA-3tq9A:
19.3		 4eckA-3tq9A:
16.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqe MALONYL-COA-[ACYL-CA
RRIER-PROTEIN]
TRANSACYLASE

(Coxiella
burnetii) 		PF00698
(Acyl_transf_1) 		5 VAL A 256
LEU A 282
VAL A 115
ARG A 118
THR A 261
 None
None
None
GLY  A 314 (-3.2A)
None
 1.25A 4eckA-3tqeA:
undetectable		 4eckA-3tqeA:
18.85
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 LEU A  46
PHE A  58
LEU A 119
ARG A 122
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-3.5A)
None
None
1CY  A 609 (-4.3A)
 0.68A 4eckA-3um6A:
40.2		 4eckA-3um6A:
42.10
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 LEU A  46
PHE A 116
LEU A 119
ARG A 122
THR A 185
 NDP  A 610 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.75A 4eckA-3um6A:
40.2		 4eckA-3um6A:
42.10
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		6 VAL A   6
ALA A   8
PHE A  32
LEU A  64
ARG A  67
THR A 133
 None
 0.72A 4eckA-3vcoA:
19.4		 4eckA-3vcoA:
15.89
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		6 VAL A   6
ALA A   8
PHE A  32
PHE A  61
LEU A  64
ARG A  67
 None
 0.81A 4eckA-3vcoA:
19.4		 4eckA-3vcoA:
15.89
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.
3von UBIQUITIN
THIOESTERASE OTUB1

(Homo sapiens) 		PF10275
(Peptidase_C65) 		5 VAL A 257
ALA A 103
LEU A 101
PHE A 114
LEU A 223
 None
 1.20A 4eckA-3vonA:
undetectable		 4eckA-3vonA:
17.76
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.
3wv6 GALECTIN-9

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 VAL A  72
PHE A  60
PHE A  62
LEU A 101
VAL A  33
 None
 1.21A 4eckA-3wv6A:
undetectable		 4eckA-3wv6A:
19.02
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.
4bc5 XYLULOSE KINASE

(Homo sapiens) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ALA A 108
LEU A 125
SER A 209
PHE A 204
VAL A 274
 None
 1.24A 4eckA-4bc5A:
undetectable		 4eckA-4bc5A:
22.24
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.
4f3n UNCHARACTERIZED ACR,
COG1565 SUPERFAMILY

(Burkholderia
thailandensis) 		PF02636
(Methyltransf_28) 		5 ALA A 108
LEU A 398
PHE A 273
LEU A 267
VAL A 263
 None
 1.17A 4eckA-4f3nA:
undetectable		 4eckA-4f3nA:
21.73
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.
4fcg UNCHARACTERIZED
PROTEIN

(Xanthomonas
euvesicatoria) 		PF13855
(LRR_8) 		5 ALA A 236
LEU A 210
PHE A 218
LEU A 154
VAL A 153
 None
 1.17A 4eckA-4fcgA:
undetectable		 4eckA-4fcgA:
20.63
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.
4g19 GLUTATHIONE
TRANSFERASE GTE1

(Phanerochaete
chrysosporium) 		PF13417
(GST_N_3) 		5 ALA A 243
PHE A 213
LEU A 177
VAL A 173
THR A 246
 None
 1.11A 4eckA-4g19A:
undetectable		 4eckA-4g19A:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		6 ALA X  12
LEU X  25
PHE X  36
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
None
None
TOP  X 301 (-4.5A)
 0.56A 4eckA-4g8zX:
21.7		 4eckA-4g8zX:
17.73
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		6 ALA X  12
PHE X  36
SER X  37
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
None
None
None
TOP  X 301 (-4.5A)
 0.72A 4eckA-4g8zX:
21.7		 4eckA-4g8zX:
17.73
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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		5 ALA A  11
PHE A  36
LEU A  69
ARG A  72
THR A 133
 14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
None
None
14Q  A 202 ( 4.6A)
 0.64A 4eckA-4h96A:
18.6		 4eckA-4h96A:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		6 ALA A  11
LEU A  25
PHE A  36
LEU A  69
ARG A  72
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-3.8A)
None
None
14Q  A 302 (-4.2A)
 0.59A 4eckA-4h98A:
19.0		 4eckA-4h98A:
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.
4ikv DI-TRIPEPTIDE ABC
TRANSPORTER
(PERMEASE)

(Geobacillus
kaustophilus) 		PF00854
(PTR2) 		5 ALA A 449
LEU A  76
PHE A 259
MET A 125
PHE A 122
 None
 1.12A 4eckA-4ikvA:
undetectable		 4eckA-4ikvA:
21.21
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.
4jb1 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Pseudomonas
aeruginosa) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 VAL A 121
ALA A  95
PHE A  99
LEU A 186
VAL A  86
 None
 1.07A 4eckA-4jb1A:
undetectable		 4eckA-4jb1A:
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.
4liy FIBER PROTEIN

(Human
mastadenovirus
B) 		PF00541
(Adeno_knob) 		5 VAL A 271
PHE A 312
SER A 313
LEU A 160
VAL A 161
 None
 1.18A 4eckA-4liyA:
undetectable		 4eckA-4liyA:
16.61
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		5 ALA A   7
PHE A  31
LEU A  57
ARG A  60
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
None
None
TMQ  A 202 (-4.2A)
 0.72A 4eckA-4m2xA:
19.0		 4eckA-4m2xA:
16.05
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.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ALA A   7
LEU A  20
MET A  50
LEU A  55
ARG A  58
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-4.0A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 1.20A 4eckA-4m7vA:
18.7		 4eckA-4m7vA:
15.30
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.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ALA A   7
LEU A  20
PHE A  31
LEU A  40
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-3.8A)
None
RAR  A 200 (-4.4A)
 1.16A 4eckA-4m7vA:
18.7		 4eckA-4m7vA:
15.30
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.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ALA A   7
LEU A  20
PHE A  31
MET A  50
LEU A  55
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.0A)
RAR  A 200 (-4.2A)
RAR  A 200 (-4.4A)
 1.24A 4eckA-4m7vA:
18.7		 4eckA-4m7vA:
15.30
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.
4w82 FATTY ACID SYNTHASE

(Homo sapiens) 		PF00107
(ADH_zinc_N) 		5 VAL A1566
ALA A1623
PHE A1603
PHE A1632
LEU A1633
 None
 1.10A 4eckA-4w82A:
undetectable		 4eckA-4w82A:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x36 AUTOLYSIN

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1)
PF01510
(Amidase_2) 		5 ALA A  71
LEU A  12
PHE A  52
VAL A  35
THR A  82
 None
 1.13A 4eckA-4x36A:
undetectable		 4eckA-4x36A:
19.93
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.
4ztd PROLIFERATING CELL
NUCLEAR ANTIGEN

(Homo sapiens) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 ALA A 218
SER A  10
MET A 244
LEU A   6
VAL A   7
 None
 1.11A 4eckA-4ztdA:
undetectable		 4eckA-4ztdA:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a9i SOLUTE CARRIER
FAMILY 15 MEMBER 2

(Rattus
norvegicus) 		no annotation 6 VAL A 539
LEU A 593
PHE A 519
LEU A 531
VAL A 551
THR A 522
 None
 1.44A 4eckA-5a9iA:
undetectable		 4eckA-5a9iA:
15.89
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		5 ALA A 683
LEU A 179
PHE A 717
SER A 716
LEU A 627
 None
 1.03A 4eckA-5az4A:
undetectable		 4eckA-5az4A:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ctv AUTOLYSIN

(Streptococcus
pneumoniae) 		PF01510
(Amidase_2) 		5 ALA A  71
LEU A  12
PHE A  52
VAL A  35
THR A  82
 None
 1.22A 4eckA-5ctvA:
undetectable		 4eckA-5ctvA:
14.19
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.
5cwv NUCLEOPORIN NUP192

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		5 VAL A1645
ALA A1641
MET A1495
LEU A1535
VAL A1534
 None
 1.18A 4eckA-5cwvA:
undetectable		 4eckA-5cwvA:
21.32
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		5 ALA A   7
PHE A  48
LEU A  71
ARG A  74
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
None
None
CME  A 140 ( 4.5A)
 0.62A 4eckA-5dxvA:
11.7		 4eckA-5dxvA:
11.33
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.
5eso 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Mycobacterium
tuberculosis) 		PF02776
(TPP_enzyme_N) 		5 LEU A 372
SER A 467
LEU A 520
VAL A 517
THR A 407
 None
 0.99A 4eckA-5esoA:
undetectable		 4eckA-5esoA:
22.35
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.
5g3p FORMAMIDASE

(Bacillus cereus) 		PF00795
(CN_hydrolase) 		5 VAL A 257
ALA A 255
LEU A  18
PHE A  14
LEU A 160
 None
 1.26A 4eckA-5g3pA:
undetectable		 4eckA-5g3pA:
21.07
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT DELTA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		6 VAL d 515
ALA d 511
PHE d 443
PHE d 124
SER d 123
LEU d 110
 None
 1.31A 4eckA-5gw5d:
undetectable		 4eckA-5gw5d:
21.83
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.
5hb4 NUP192,NUCLEOPORIN
NUP192

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		5 VAL B1645
ALA B1641
MET B1495
LEU B1535
VAL B1534
 None
 1.11A 4eckA-5hb4B:
undetectable		 4eckA-5hb4B:
17.65
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.
5hd2 PARASPORAL CRYSTAL
PROTEIN

(Bacillus
thuringiensis) 		PF03318
(ETX_MTX2) 		5 VAL A 262
ALA A 260
PHE A  86
SER A  85
THR A 285
 None
 1.02A 4eckA-5hd2A:
undetectable		 4eckA-5hd2A:
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.
5ihv BETA-LACTAMASE

(Burkholderia
ambifaria) 		PF13354
(Beta-lactamase2) 		5 VAL A 125
ALA A  56
LEU A 170
MET A 163
LEU A  45
 None
 1.24A 4eckA-5ihvA:
undetectable		 4eckA-5ihvA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Homo sapiens) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 VAL A 521
ALA A 519
MET A 501
PHE A 482
LEU A 484
 None
 1.15A 4eckA-5iy9A:
undetectable		 4eckA-5iy9A:
16.96
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.
5jod PROPLASMEPSIN IV

(Plasmodium
falciparum) 		PF00026
(Asp) 		5 ALA A 222
PHE A 231
PHE A 230
MET A 274
LEU A 254
 None
 1.23A 4eckA-5jodA:
undetectable		 4eckA-5jodA:
20.65
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) 		12 VAL A   8
ALA A  10
LEU A  23
PHE A  32
PHE A  35
SER A  36
MET A  87
PHE A  91
LEU A  94
VAL A  95
ARG A  97
THR A 172
 73X  A 704 (-3.7A)
73X  A 704 (-4.0A)
None
73X  A 704 (-4.7A)
73X  A 704 (-3.2A)
None
73X  A 704 (-4.8A)
73X  A 704 ( 4.2A)
None
None
None
73X  A 704 (-4.2A)
 0.58A 4eckA-5t0lA:
50.8		 4eckA-5t0lA:
92.79
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) 		7 VAL A 151
LEU A  23
PHE A  32
PHE A  35
SER A  36
VAL A  95
ARG A  97
 73X  A 704 ( 3.8A)
None
73X  A 704 (-4.7A)
73X  A 704 (-3.2A)
None
None
None
 1.43A 4eckA-5t0lA:
50.8		 4eckA-5t0lA:
92.79
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.
6b4m MONOTREME LACTATION
PROTEIN

(Ornithorhynchus
anatinus) 		no annotation 5 VAL A 335
ALA A 331
LEU A 350
PHE A 253
LEU A 300
 None
 1.13A 4eckA-6b4mA:
undetectable		 4eckA-6b4mA:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 5 ALA A   8
PHE A  32
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.65A 4eckA-6cxmA:
18.6		 4eckA-6cxmA:
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.
6dfu TRYPTOPHAN--TRNA
LIGASE

(Haemophilus
influenzae) 		no annotation 5 ALA A 133
LEU A 131
PHE A   7
SER A   8
THR A 157
 None
None
TRP  A 501 (-4.9A)
None
None
 1.26A 4eckA-6dfuA:
undetectable		 4eckA-6dfuA:
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.
6e4e -

(-) 		no annotation 5 ALA A   7
LEU A  20
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
None
None
MMV  A 202 (-4.3A)
 0.72A 4eckA-6e4eA:
19.3		 4eckA-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.
6ezm IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Saccharomyces
cerevisiae) 		no annotation 5 ALA U 103
LEU U  77
PHE U 167
PHE U 193
VAL U 177
 None
 1.25A 4eckA-6ezmU:
undetectable		 4eckA-6ezmU:
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.
6fwh IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Acanthamoeba
castellanii) 		no annotation 5 ALA A  79
LEU A  53
PHE A 143
PHE A 169
VAL A 153
 None
 1.24A 4eckA-6fwhA:
undetectable		 4eckA-6fwhA:
undetectable