SIMILAR PATTERNS OF AMINO ACIDS FOR 4KM0_A_CP6A201_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		6 ALA A   8
ASP A  27
PHE A  31
THR A  47
ILE A 100
THR A 121
 None
None
None
SO4  A 200 (-3.7A)
None
None
 0.64A 4km0A-1cz3A:
17.7		 4km0A-1cz3A:
28.57
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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		6 ILE A   7
ALA A   9
PHE A  34
THR A  56
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
HBI  A 198 ( 4.5A)
 0.54A 4km0A-1dr6A:
19.9		 4km0A-1dr6A:
29.61
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.
1hv5 STROMELYSIN 3

(Mus musculus) 		PF00413
(Peptidase_M10) 		5 ILE A 159
ALA A 184
PHE A 221
LEU A 213
ILE A 161
 None
 1.13A 4km0A-1hv5A:
undetectable		 4km0A-1hv5A:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1imv PIGMENT
EPITHELIUM-DERIVED
FACTOR

(Homo sapiens) 		PF00079
(Serpin) 		5 ILE A 331
PHE A 124
LEU A 138
ILE A 326
THR A 334
 None
 1.11A 4km0A-1imvA:
undetectable		 4km0A-1imvA:
19.35
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 ASP A  36
PHE A  40
THR A  55
LEU A  59
ILE A 127
 None
None
NDP  A 194 (-3.3A)
None
None
 0.78A 4km0A-1juvA:
15.8		 4km0A-1juvA:
26.42
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.
1kp0 CREATINE
AMIDINOHYDROLASE

(Actinobacillus) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 ILE A 175
ALA A 179
THR A 217
LEU A 214
ILE A 172
 None
 1.26A 4km0A-1kp0A:
undetectable		 4km0A-1kp0A:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mu2 HIV-2 RT

(Human
immunodeficiency
virus 2) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		5 ILE A   8
THR A  84
LEU A  80
ILE A  10
THR A 163
 None
 1.32A 4km0A-1mu2A:
undetectable		 4km0A-1mu2A:
16.09
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.
1p9e METHYL PARATHION
HYDROLASE

(Pseudomonas sp.
WBC-3) 		PF00753
(Lactamase_B) 		5 ILE A 311
ALA A 289
THR A 240
ILE A 298
TYR A 296
 None
 1.31A 4km0A-1p9eA:
undetectable		 4km0A-1p9eA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pe9 PECTATE LYASE A

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		5 ILE A 127
ASP A 164
PHE A 167
THR A 179
THR A 125
 None
 1.31A 4km0A-1pe9A:
undetectable		 4km0A-1pe9A:
18.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		6 ILE A   7
ALA A   9
PHE A  34
THR A  56
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
None
MTX  A 187 (-4.4A)
 0.56A 4km0A-1u70A:
19.8		 4km0A-1u70A:
32.29
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		6 ILE A   7
ALA A   9
PHE A  34
THR A  56
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
None
MXA  A 187 (-4.3A)
 0.66A 4km0A-1u71A:
19.6		 4km0A-1u71A:
29.81
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.
1vbl PECTATE LYASE 47

(Bacillus sp.
TS-47) 		PF00544
(Pec_lyase_C) 		5 ILE A 342
ALA A 372
ASP A 369
LEU A 361
ILE A 341
 None
 1.28A 4km0A-1vblA:
undetectable		 4km0A-1vblA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ww6 GALECTIN

(Agrocybe
cylindracea) 		PF00337
(Gal-bind_lectin) 		5 ALA A  49
PHE A  31
THR A 134
LEU A  19
THR A  48
 None
 1.24A 4km0A-1ww6A:
undetectable		 4km0A-1ww6A:
20.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
ASP A  27
PHE A  31
THR A  46
ILE A  96
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
None
None
 0.41A 4km0A-1zdrA:
21.5		 4km0A-1zdrA:
32.09
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ALA A  15
ASP A  53
PHE A  57
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.42A 4km0A-2blbA:
18.6		 4km0A-2blbA:
22.09
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  28
ASP A  48
LEU A  91
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
None
 1.36A 4km0A-2h2qA:
19.3		 4km0A-2h2qA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
ASP A  48
PHE A  52
THR A  80
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
NAP  A 523 (-3.5A)
None
None
None
 0.60A 4km0A-2h2qA:
19.3		 4km0A-2h2qA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jam CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1G

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 278
ALA A 283
PHE A 254
ILE A 125
THR A 282
 None
 1.21A 4km0A-2jamA:
undetectable		 4km0A-2jamA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jc6 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1D

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 279
ALA A 284
PHE A 255
ILE A 125
THR A 283
 None
 1.21A 4km0A-2jc6A:
undetectable		 4km0A-2jc6A:
17.26
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  11
ASP A  32
LEU A  67
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.4A)
None
MTX  A 605 ( 4.2A)
 1.18A 4km0A-2oipA:
20.0		 4km0A-2oipA:
17.23
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  11
ASP A  32
PHE A  36
THR A  58
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 3.5A)
None
MTX  A 605 ( 4.2A)
 0.57A 4km0A-2oipA:
20.0		 4km0A-2oipA:
17.23
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.
2okk GLUTAMATE
DECARBOXYLASE 2

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 TRP A 392
ALA A 366
ASP A 364
THR A 502
THR A 391
 None
LLP  A 396 ( 3.5A)
LLP  A 396 ( 2.6A)
None
None
 1.24A 4km0A-2okkA:
undetectable		 4km0A-2okkA:
16.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oy4 NEUTROPHIL
COLLAGENASE

(Homo sapiens) 		PF00413
(Peptidase_M10) 		5 ILE A 138
ALA A 163
PHE A 199
LEU A 191
ILE A 140
 None
 1.03A 4km0A-2oy4A:
undetectable		 4km0A-2oy4A:
18.09
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.
2p4g HYPOTHETICAL PROTEIN

(Corynebacterium
diphtheriae) 		PF01872
(RibD_C) 		5 ILE A  38
ASP A  61
THR A  81
TYR A 199
THR A 214
 EDO  A 278 (-4.7A)
EDO  A 278 (-3.2A)
EDO  A 284 ( 3.5A)
EDO  A 280 (-4.3A)
None
 0.81A 4km0A-2p4gA:
14.1		 4km0A-2p4gA:
22.90
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.
2pzi PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNG

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase)
PF16918
(PknG_TPR)
PF16919
(PknG_rubred) 		5 ILE A 292
THR A 334
LEU A 338
ILE A 282
TYR A 274
 AXX  A 753 (-4.3A)
None
None
None
None
 1.07A 4km0A-2pziA:
undetectable		 4km0A-2pziA:
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.
2q0a POTASSIUM/SODIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 2

(Mus musculus) 		PF00027
(cNMP_binding) 		5 ILE A 545
ALA A 593
PHE A 580
ILE A 544
THR A 592
 PCG  A 401 ( 4.0A)
PCG  A 401 (-3.8A)
None
None
PCG  A 401 (-2.9A)
 1.01A 4km0A-2q0aA:
undetectable		 4km0A-2q0aA:
20.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 TRP A  10
ALA A  11
ASP A  31
LEU A  61
TYR A 108
THR A 121
 None
VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 ( 4.4A)
None
VG9  A1168 ( 4.7A)
 1.07A 4km0A-2w3wA:
26.6		 4km0A-2w3wA:
63.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		9 TRP A  10
ALA A  11
ASP A  31
PHE A  35
THR A  50
LEU A  54
ILE A 102
TYR A 108
THR A 121
 None
VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
None
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.61A 4km0A-2w3wA:
26.6		 4km0A-2w3wA:
63.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
ASP A  27
THR A  46
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
None
TOP  A1160 ( 4.5A)
 0.58A 4km0A-2w9sA:
21.9		 4km0A-2w9sA:
30.05
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.
2xik SERINE/THREONINE
PROTEIN KINASE 25

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 157
THR A 204
LEU A 208
ILE A 124
THR A  79
 J60  A1294 ( 4.2A)
None
None
None
J60  A1294 ( 4.2A)
 1.05A 4km0A-2xikA:
undetectable		 4km0A-2xikA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y8f RAN-BINDING PROTEIN
3

(Homo sapiens) 		PF00638
(Ran_BP1) 		5 ILE A 397
ALA A 435
THR A 389
LEU A 387
ILE A 407
 GOL  A1452 (-4.7A)
None
None
None
None
 1.20A 4km0A-2y8fA:
undetectable		 4km0A-2y8fA:
23.32
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.
2zkt 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Pyrococcus
horikoshii) 		PF01676
(Metalloenzyme)
PF10143
(PhosphMutase) 		5 ILE A  45
ALA A  41
LEU A   9
ILE A 365
THR A 375
 None
 1.17A 4km0A-2zktA:
2.8		 4km0A-2zktA:
17.60
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.
3b6n 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Plasmodium
vivax) 		PF02542
(YgbB) 		5 ILE A 140
ASP A  66
LEU A  76
ILE A 144
THR A  48
 None
 1.31A 4km0A-3b6nA:
undetectable		 4km0A-3b6nA:
22.82
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.
3bed PTS SYSTEM, IIA
COMPONENT

(Enterococcus
faecalis) 		PF03610
(EIIA-man) 		5 ILE A  33
THR A  61
LEU A  86
ILE A   6
THR A  17
 None
 1.34A 4km0A-3bedA:
undetectable		 4km0A-3bedA:
21.56
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.
3d7l LIN1944 PROTEIN

(Listeria
innocua) 		PF13561
(adh_short_C2) 		5 ILE A 147
ALA A 140
PHE A 107
ILE A  98
THR A 192
 None
 1.27A 4km0A-3d7lA:
undetectable		 4km0A-3d7lA:
21.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 TRP A   5
ALA A   6
ASP A  26
LEU A  54
THR A 116
 None
MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.3A)
 1.02A 4km0A-3dfrA:
21.2		 4km0A-3dfrA:
31.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 TRP A   5
ALA A   6
ASP A  26
PHE A  30
THR A  45
THR A 116
 None
MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.3A)
 0.68A 4km0A-3dfrA:
21.2		 4km0A-3dfrA:
31.25
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		5 ALA A  16
ASP A  54
LEU A 119
TYR A 170
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 1.19A 4km0A-3dg8A:
18.3		 4km0A-3dg8A:
20.58
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ILE A  14
ALA A  16
ASP A  54
PHE A  58
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.3A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.40A 4km0A-3dg8A:
18.3		 4km0A-3dg8A:
20.58
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.
3h25 REPLICATION PROTEIN
B

(Plasmid RSF1010) 		PF16793
(RepB_primase) 		5 ILE A  24
ALA A  66
LEU A  96
ILE A  63
TYR A 143
 None
 1.31A 4km0A-3h25A:
undetectable		 4km0A-3h25A:
29.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE

(Aspergillus
parasiticus) 		PF14765
(PS-DH) 		5 ILE A1545
ALA A1549
PHE A1617
THR A1354
THR A1590
 None
 1.07A 4km0A-3hrrA:
undetectable		 4km0A-3hrrA:
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ALA X   7
ASP X  27
THR X  46
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
NDP  X 207 (-3.2A)
None
N22  X 219 (-4.4A)
 0.60A 4km0A-3i8aX:
21.8		 4km0A-3i8aX:
29.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		7 ILE A   6
ALA A   8
PHE A  32
THR A  47
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.58A 4km0A-3ia4A:
21.6		 4km0A-3ia4A:
33.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iuk UNCHARACTERIZED
PROTEIN

(Paenarthrobacter
aurescens) 		PF05960
(DUF885) 		5 ALA A 136
THR A  34
ILE A 117
TYR A  45
THR A 208
 None
 1.26A 4km0A-3iukA:
undetectable		 4km0A-3iukA:
17.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		6 ILE A   8
TRP A   9
ALA A  10
PHE A  34
THR A  49
THR A 119
 MTX  A 200 (-4.1A)
None
MTX  A 200 (-3.8A)
MTX  A 200 (-4.4A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.5A)
 0.43A 4km0A-3ix9A:
21.1		 4km0A-3ix9A:
35.20
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.
3j7a 40S RIBOSOMAL
PROTEIN ES26
40S RIBOSOMAL
PROTEIN US11

(Plasmodium
falciparum) 		PF00411
(Ribosomal_S11)
PF01283
(Ribosomal_S26e) 		5 ILE P  33
ALA P  35
LEU 3  64
ILE P  95
THR P  40
 None
 1.31A 4km0A-3j7aP:
undetectable		 4km0A-3j7aP:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
ASP A  37
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
 1.17A 4km0A-3kjrA:
19.3		 4km0A-3kjrA:
14.89
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
ASP A  37
THR A  69
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
NAP  A 512 (-3.6A)
None
None
 0.60A 4km0A-3kjrA:
19.3		 4km0A-3kjrA:
14.89
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.
3lnn MEMBRANE FUSION
PROTEIN (MFP) HEAVY
METAL CATION EFFLUX
ZNEB (CZCB-LIKE)

(Cupriavidus
metallidurans) 		PF00529
(HlyD)
PF16576
(HlyD_D23) 		5 ILE A  88
ALA A 172
LEU A 184
ILE A  68
THR A 162
 None
 1.25A 4km0A-3lnnA:
undetectable		 4km0A-3lnnA:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ogj PRKG1 PROTEIN

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 146
ALA A 194
PHE A 181
ILE A 145
THR A 193
 CMP  A 250 ( 4.2A)
CMP  A 250 (-3.6A)
None
None
CMP  A 250 (-2.9A)
 1.06A 4km0A-3ogjA:
undetectable		 4km0A-3ogjA:
20.79
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.
3qvf FOMA PROTEIN

(Streptomyces
wedmorensis) 		PF00696
(AA_kinase) 		5 ILE A 260
ALA A 219
THR A 170
ILE A 232
THR A 222
 None
None
ADP  A1260 (-3.6A)
None
None
 1.31A 4km0A-3qvfA:
undetectable		 4km0A-3qvfA:
27.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		8 ALA A  34
ASP A  54
PHE A  58
THR A  86
LEU A  90
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
WRA  A 602 (-4.8A)
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.64A 4km0A-3rg9A:
18.0		 4km0A-3rg9A:
33.06
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.
3shr CGMP-DEPENDENT
PROTEIN KINASE 1

(Bos taurus) 		PF00027
(cNMP_binding) 		5 ILE A 130
ALA A 178
PHE A 165
ILE A 129
THR A 177
 CMP  A 401 (-4.1A)
CMP  A 401 (-3.8A)
None
None
CMP  A 401 (-2.8A)
 1.16A 4km0A-3shrA:
undetectable		 4km0A-3shrA:
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.
3shr CGMP-DEPENDENT
PROTEIN KINASE 1

(Bos taurus) 		PF00027
(cNMP_binding) 		5 ILE A 248
ALA A 302
PHE A 289
ILE A 247
THR A 301
 None
 0.72A 4km0A-3shrA:
undetectable		 4km0A-3shrA:
21.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		7 ILE A   6
ALA A   8
ASP A  28
PHE A  32
THR A  47
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.55A 4km0A-3tq9A:
21.5		 4km0A-3tq9A:
33.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A  14
ASP A  54
PHE A  58
THR A 108
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.54A 4km0A-3um6A:
18.4		 4km0A-3um6A:
15.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		6 ALA A   8
ASP A  28
PHE A  32
ILE A 111
TYR A 117
THR A 133
 None
 0.54A 4km0A-3vcoA:
17.0		 4km0A-3vcoA:
37.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		5 ILE A 227
PHE A 224
LEU A 321
ILE A 209
THR A 138
 None
 1.20A 4km0A-4a01A:
undetectable		 4km0A-4a01A:
12.59
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.
4bgc POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY A
MEMBER 3

(Homo sapiens) 		PF02214
(BTB_2) 		5 ILE A  58
ASP A 105
PHE A 104
LEU A  70
ILE A  56
 None
None
None
CSO  A  71 ( 4.2A)
None
 1.26A 4km0A-4bgcA:
undetectable		 4km0A-4bgcA:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bws THIOREDOXIN-LIKE
PROTEIN 4A

(Homo sapiens) 		PF02966
(DIM1) 		5 ILE A  92
PHE A  83
LEU A  45
ILE A 102
TYR A 136
 None
 1.32A 4km0A-4bwsA:
undetectable		 4km0A-4bwsA:
24.61
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.
4d7s STHK_CNBD_CGMP

(Spirochaeta
thermophila) 		PF00027
(cNMP_binding) 		5 ILE A 329
ALA A 379
PHE A 366
ILE A 328
THR A 378
 PCG  A1423 (-4.2A)
PCG  A1423 (-3.9A)
None
None
PCG  A1423 (-3.0A)
 0.95A 4km0A-4d7sA:
undetectable		 4km0A-4d7sA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fg8 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 276
ALA A 281
PHE A 252
ILE A 122
THR A 280
 None
 1.17A 4km0A-4fg8A:
undetectable		 4km0A-4fg8A:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fvl COLLAGENASE 3

(Homo sapiens) 		PF00045
(Hemopexin)
PF00413
(Peptidase_M10) 		5 ILE A 163
ALA A 188
PHE A 224
LEU A 216
ILE A 165
 None
 1.09A 4km0A-4fvlA:
undetectable		 4km0A-4fvlA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		7 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.54A 4km0A-4g8zX:
19.0		 4km0A-4g8zX:
29.09
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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		7 ILE A   9
ALA A  11
PHE A  36
THR A  58
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.53A 4km0A-4h96A:
17.6		 4km0A-4h96A:
29.59
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		7 ILE A   9
ALA A  11
PHE A  36
THR A  58
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.53A 4km0A-4h98A:
17.4		 4km0A-4h98A:
27.90
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.
4ija XYLR PROTEIN

(Staphylococcus
aureus) 		PF00480
(ROK)
PF01047
(MarR) 		5 ILE A 250
ALA A 255
PHE A 251
LEU A 202
ILE A 247
 None
None
None
None
GOL  A 502 ( 4.4A)
 1.14A 4km0A-4ijaA:
undetectable		 4km0A-4ijaA:
19.90
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.
4inz SOLUBLE EPOXIDE
HYDROLASE

(Bacillus
megaterium) 		PF00561
(Abhydrolase_1) 		5 TRP A 104
ALA A 100
PHE A 120
THR A  92
ILE A 118
 None
 1.30A 4km0A-4inzA:
undetectable		 4km0A-4inzA:
18.48
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.
4k9s GDSL-LIKE
LIPASE/ACYLHYDROLASE
FAMILY PROTEIN

(Neisseria
meningitidis) 		PF00657
(Lipase_GDSL) 		5 ALA A 231
ASP A  85
LEU A 155
ILE A 104
THR A  88
 None
 1.28A 4km0A-4k9sA:
undetectable		 4km0A-4k9sA:
19.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		10 ILE A   5
TRP A   6
ALA A   7
ASP A  27
PHE A  31
THR A  46
LEU A  50
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
None
TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
None
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.63A 4km0A-4m2xA:
27.2		 4km0A-4m2xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		5 TRP A   6
ALA A   7
ASP A  27
LEU A  57
TYR A 100
 None
TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
None
None
 1.09A 4km0A-4m2xA:
27.2		 4km0A-4m2xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
ASP A  27
PHE A  31
THR A  46
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.4A)
 0.60A 4km0A-4m7vA:
20.7		 4km0A-4m7vA:
34.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ILE A   5
TRP A   6
ALA A   7
ASP A  27
PHE A  31
THR A 116
 RAR  A 200 (-4.0A)
None
RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.4A)
 0.31A 4km0A-4m7vA:
20.7		 4km0A-4m7vA:
34.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 TRP A   6
ALA A   7
ASP A  27
LEU A  55
THR A 116
 None
RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-4.2A)
RAR  A 200 (-4.4A)
 1.07A 4km0A-4m7vA:
20.7		 4km0A-4m7vA:
34.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o27 SERINE/THREONINE-PRO
TEIN KINASE 24

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA B 161
THR B 208
LEU B 212
ILE B 128
THR B  83
 None
None
None
None
ADP  B 500 ( 4.9A)
 1.05A 4km0A-4o27B:
undetectable		 4km0A-4o27B:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ofg CGMP-DEPENDENT
PROTEIN KINASE

(Plasmodium
falciparum) 		PF00027
(cNMP_binding) 		5 ILE A 446
ALA A 494
PHE A 481
ILE A 445
THR A 493
 PCG  A 601 ( 4.4A)
PCG  A 601 (-3.9A)
None
None
PCG  A 601 (-2.7A)
 0.97A 4km0A-4ofgA:
undetectable		 4km0A-4ofgA:
22.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
ASP A  27
PHE A  31
THR A  46
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.1A)
NAP  A 202 (-3.2A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.47A 4km0A-4p68A:
21.9		 4km0A-4p68A:
31.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pl9 ETHYLENE RECEPTOR 1

(Arabidopsis
thaliana) 		PF02518
(HATPase_c) 		5 ILE A 467
PHE A 577
LEU A 419
ILE A 464
THR A 574
 None
 0.99A 4km0A-4pl9A:
undetectable		 4km0A-4pl9A:
19.79
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.
4q4a UNCHARACTERIZED ABC
TRANSPORTER
ATP-BINDING PROTEIN
TM_0288

(Thermotoga
maritima) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 ILE B 530
ALA B 518
LEU B 513
ILE B 502
THR B 519
 None
 1.33A 4km0A-4q4aB:
undetectable		 4km0A-4q4aB:
14.58
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.
4qx5 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
 CMP  A 401 (-4.0A)
CMP  A 401 (-3.7A)
None
None
CMP  A 401 (-2.9A)
 0.93A 4km0A-4qx5A:
undetectable		 4km0A-4qx5A:
19.79
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.
4xct MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00413
(Peptidase_M10) 		5 ILE A 166
ALA A 191
PHE A 228
LEU A 220
ILE A 168
 None
 1.08A 4km0A-4xctA:
undetectable		 4km0A-4xctA:
23.81
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.
4z07 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
 PCG  A 402 ( 4.0A)
PCG  A 402 (-4.0A)
None
None
PCG  A 402 (-2.7A)
 1.03A 4km0A-4z07A:
undetectable		 4km0A-4z07A:
21.85
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.
5a7m BETA-XYLOSIDASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ILE A 485
ALA A 500
ASP A 498
THR A 456
ILE A 458
 None
 1.21A 4km0A-5a7mA:
undetectable		 4km0A-5a7mA:
13.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c8w CGMP-DEPENDENT
PROTEIN KINASE 2

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 196
ALA A 244
PHE A 231
ILE A 195
THR A 243
 PCG  A 302 ( 4.1A)
PCG  A 302 (-3.8A)
None
None
PCG  A 302 ( 2.8A)
 1.10A 4km0A-5c8wA:
undetectable		 4km0A-5c8wA:
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.
5d9t DEHYDROASCORBATE
REDUCTASE

(Oryza sativa) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 ILE A  71
ASP A  67
THR A  29
LEU A  30
ILE A  77
 None
 1.18A 4km0A-5d9tA:
undetectable		 4km0A-5d9tA:
24.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dxi TREHALOSE-6-PHOSPHAT
E PHOSPHATASE

(Candida
albicans) 		PF02358
(Trehalose_PPase) 		5 ILE A  64
ASP A 234
LEU A  46
ILE A  63
THR A 233
 None
MG  A 401 ( 4.2A)
None
None
BEF  A 402 ( 4.6A)
 1.24A 4km0A-5dxiA:
2.5		 4km0A-5dxiA:
20.72
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
None
None
CME  A 140 ( 4.5A)
 0.55A 4km0A-5dxvA:
13.8		 4km0A-5dxvA:
28.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		5 ILE A   6
ALA A   8
THR A  47
TYR A 101
THR A 114
 None
 0.70A 4km0A-5fdaA:
15.3		 4km0A-5fdaA:
32.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzs GGDEF FAMILY PROTEIN

(Vibrio cholerae) 		PF00497
(SBP_bac_3) 		5 ALA A  54
PHE A  66
LEU A 223
ILE A 213
THR A  55
 None
 1.23A 4km0A-5gzsA:
undetectable		 4km0A-5gzsA:
16.82
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.
5hdh TOLL-LIKE RECEPTOR 8

(Homo sapiens) 		PF13855
(LRR_8) 		5 ILE A 166
PHE A 197
THR A 190
LEU A 213
ILE A 161
 None
 1.29A 4km0A-5hdhA:
undetectable		 4km0A-5hdhA:
13.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j48 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
 6FW  A 404 (-3.5A)
6FW  A 404 (-3.2A)
None
None
6FW  A 404 ( 2.8A)
 0.98A 4km0A-5j48A:
undetectable		 4km0A-5j48A:
22.51
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.
5kzm TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Francisella
tularensis) 		PF00290
(Trp_syntA) 		5 ILE A  85
ALA A  32
THR A  40
LEU A 256
ILE A  38
 None
 1.17A 4km0A-5kzmA:
undetectable		 4km0A-5kzmA:
22.05
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.
5liv CYTOCHROME P450
CYP260A1,CYTOCHROME
P450 CYP260A1

(Sorangium
cellulosum) 		PF00067
(p450) 		5 ILE A 187
ALA A 195
PHE A 191
THR A 231
ILE A 277
 None
 1.26A 4km0A-5livA:
undetectable		 4km0A-5livA:
17.52
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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		5 ILE T1556
PHE T1592
LEU T1538
ILE T1552
THR T1594
 None
 1.18A 4km0A-5ojsT:
undetectable		 4km0A-5ojsT:
3.67
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
ASP A  31
PHE A  35
THR A  83
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.2A)
None
73X  A 704 (-4.2A)
 0.59A 4km0A-5t0lA:
18.8		 4km0A-5t0lA:
17.15
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.
5th6 MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		5 ILE A 166
ALA A 191
PHE A 403
LEU A 395
ILE A 168
 None
 1.05A 4km0A-5th6A:
undetectable		 4km0A-5th6A:
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.
5w21 KLOTHO

(Homo sapiens) 		no annotation 5 ALA A 524
PHE A 519
LEU A 852
ILE A 895
TYR A 944
 None
 1.25A 4km0A-5w21A:
undetectable		 4km0A-5w21A:
19.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 10 ILE A   6
TRP A   7
ALA A   8
ASP A  28
PHE A  32
THR A  47
LEU A  51
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
None
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
None
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.52A 4km0A-6cxmA:
25.0		 4km0A-6cxmA:
49.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 TRP A   7
ALA A   8
ASP A  28
LEU A  58
TYR A  98
THR A 111
 None
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 1.02A 4km0A-6cxmA:
25.0		 4km0A-6cxmA:
49.17
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.
6f85 CYTOCHROME P450
CYP260A1

(Sorangium
cellulosum) 		no annotation 5 ILE A 137
ALA A 145
PHE A 141
THR A 181
ILE A 227
 None
 1.25A 4km0A-6f85A:
undetectable		 4km0A-6f85A:
17.65