SIMILAR PATTERNS OF AMINO ACIDS FOR 4KM0_B_CP6B201_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
 0.61A 4km0B-1cz3A:
17.8		 4km0B-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)
 0.51A 4km0B-1dr6A:
20.1		 4km0B-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.
1elj MALTODEXTRIN-BINDING
PROTEIN

(Pyrococcus
furiosus) 		PF13416
(SBP_bac_8) 		5 ILE A 166
ILE A 364
PHE A 196
LEU A 356
ILE A 163
 None
 1.12A 4km0B-1eljA:
undetectable		 4km0B-1eljA:
14.67
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.
1elj MALTODEXTRIN-BINDING
PROTEIN

(Pyrococcus
furiosus) 		PF13416
(SBP_bac_8) 		5 ILE A 364
PHE A 196
LEU A 356
ILE A 163
TYR A 174
 None
 1.09A 4km0B-1eljA:
undetectable		 4km0B-1eljA:
14.67
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.
1hv8 PUTATIVE
ATP-DEPENDENT RNA
HELICASE MJ0669

(Methanocaldococcus
jannaschii) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE A 126
ALA A 106
ILE A 108
THR A  81
ILE A  79
 None
 1.00A 4km0B-1hv8A:
undetectable		 4km0B-1hv8A:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.12A 4km0B-1imvA:
undetectable		 4km0B-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
 0.75A 4km0B-1juvA:
16.2		 4km0B-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.
1q9j POLYKETIDE SYNTHASE
ASSOCIATED PROTEIN 5

(Mycobacterium
tuberculosis) 		PF00668
(Condensation)
PF16911
(PapA_C) 		5 ILE A 361
ILE A  34
PHE A 140
LEU A 107
ILE A  28
 None
 1.09A 4km0B-1q9jA:
undetectable		 4km0B-1q9jA:
19.85
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.
1rfz HYPOTHETICAL PROTEIN
APC35681

(Geobacillus
stearothermophilus) 		PF04608
(PgpA) 		5 ILE A 104
ALA A 151
ILE A 119
LEU A 130
ILE A 145
 None
 1.10A 4km0B-1rfzA:
undetectable		 4km0B-1rfzA:
19.15
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)
 0.52A 4km0B-1u70A:
20.1		 4km0B-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)
 0.62A 4km0B-1u71A:
19.9		 4km0B-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.
1y9i LOW TEMPERATURE
REQUIREMENT C
PROTEIN

(Listeria
monocytogenes) 		PF04608
(PgpA) 		5 ILE A 105
ALA A 152
ILE A 120
LEU A 131
ILE A 146
 None
 1.11A 4km0B-1y9iA:
undetectable		 4km0B-1y9iA:
23.12
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.
1yxy PUTATIVE
N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Streptococcus
pyogenes) 		PF04131
(NanE) 		5 ILE A 190
ALA A 106
ILE A  75
ASP A 139
ILE A  19
 None
 1.13A 4km0B-1yxyA:
undetectable		 4km0B-1yxyA:
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.
1yz6 PROBABLE TRANSLATION
INITIATION FACTOR 2
ALPHA SUBUNIT

(Pyrococcus
abyssi) 		PF00575
(S1)
PF07541
(EIF_2_alpha) 		5 ALA A 198
ILE A 251
PHE A 216
LEU A 260
ILE A 243
 None
 1.05A 4km0B-1yz6A:
undetectable		 4km0B-1yz6A:
21.72
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
 0.37A 4km0B-1zdrA:
21.9		 4km0B-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)
 0.43A 4km0B-2blbA:
18.9		 4km0B-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.
2efe SMALL GTP-BINDING
PROTEIN-LIKE

(Arabidopsis
thaliana) 		PF00071
(Ras) 		6 ILE B 167
ALA B  86
ILE B  88
PHE B 148
THR B 152
ILE B 163
 None
 1.43A 4km0B-2efeB:
undetectable		 4km0B-2efeB:
23.12
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.
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
 1.35A 4km0B-2h2qA:
19.1		 4km0B-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
 0.59A 4km0B-2h2qA:
19.1		 4km0B-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
ILE A  41
ASP A  48
PHE A  52
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
None
None
None
None
None
 0.77A 4km0B-2h2qA:
19.1		 4km0B-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.
2hi4 CYTOCHROME P450 1A2

(Homo sapiens) 		PF00067
(p450) 		5 ALA A 230
ILE A 117
PHE A 256
LEU A 264
THR A 229
 None
 1.09A 4km0B-2hi4A:
undetectable		 4km0B-2hi4A:
16.97
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.
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)
 0.54A 4km0B-2oipA:
20.4		 4km0B-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.
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
 1.04A 4km0B-2oy4A:
undetectable		 4km0B-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
 0.76A 4km0B-2p4gA:
14.5		 4km0B-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
 1.05A 4km0B-2pziA:
undetectable		 4km0B-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)
 1.02A 4km0B-2q0aA:
undetectable		 4km0B-2q0aA:
20.67
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.
2vd9 ALANINE RACEMASE

(Bacillus
anthracis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ILE A  36
ALA A  56
ILE A  19
LEU A 246
ILE A  26
 None
None
None
MLY  A 245 ( 4.1A)
MLY  A  27 ( 3.7A)
 0.87A 4km0B-2vd9A:
undetectable		 4km0B-2vd9A:
18.25
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 4km0B-2w3wA:
26.8		 4km0B-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)
 0.57A 4km0B-2w3wA:
26.8		 4km0B-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
ILE A  24
ASP A  31
PHE A  35
THR A  50
ILE A 102
TYR A 108
THR A 121
 None
VG9  A1168 ( 3.8A)
NDP  A1169 ( 4.4A)
VG9  A1168 (-3.0A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.63A 4km0B-2w3wA:
26.8		 4km0B-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)
 0.53A 4km0B-2w9sA:
22.3		 4km0B-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)
 1.03A 4km0B-2xikA:
undetectable		 4km0B-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.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		5 ILE A 546
ALA A 582
ILE A 584
PHE A 576
ILE A 517
 None
 1.03A 4km0B-3cf4A:
undetectable		 4km0B-3cf4A:
13.32
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)
 1.04A 4km0B-3dfrA:
21.5		 4km0B-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)
 0.64A 4km0B-3dfrA:
21.5		 4km0B-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) 		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)
 0.43A 4km0B-3dg8A:
18.8		 4km0B-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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 ALA A 611
ILE A 636
THR A 629
LEU A 630
THR A 610
 None
 1.04A 4km0B-3ecqA:
undetectable		 4km0B-3ecqA:
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.
3g8z PROTEIN OF UNKNOWN
FUNCTION WITH
CYSTATIN-LIKE FOLD

(Xanthomonas
campestris) 		PF12680
(SnoaL_2) 		5 ILE A  11
ALA A   7
ILE A 110
LEU A  54
ILE A  14
 None
None
None
None
GOL  A 133 (-4.8A)
 1.08A 4km0B-3g8zA:
undetectable		 4km0B-3g8zA:
29.57
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.
3hgq HDA1 COMPLEX SUBUNIT
3

(Saccharomyces
cerevisiae) 		PF11496
(HDA2-3) 		5 ALA A  85
ILE A 244
LEU A 314
ILE A 241
THR A  86
 None
 0.95A 4km0B-3hgqA:
undetectable		 4km0B-3hgqA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE

(Aspergillus
parasiticus) 		PF14765
(PS-DH) 		5 ILE A1545
ALA A1549
PHE A1617
THR A1354
THR A1590
 None
 1.05A 4km0B-3hrrA:
undetectable		 4km0B-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)
 0.55A 4km0B-3i8aX:
22.1		 4km0B-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)
 0.54A 4km0B-3ia4A:
22.0		 4km0B-3ia4A:
33.33
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)
 0.40A 4km0B-3ix9A:
21.5		 4km0B-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.
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
 0.53A 4km0B-3kjrA:
19.7		 4km0B-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
ILE A  29
ASP A  37
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
NAP  A 512 (-4.5A)
None
None
None
 0.68A 4km0B-3kjrA:
19.7		 4km0B-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.
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 4km0B-3ogjA:
undetectable		 4km0B-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.
3qe7 URACIL PERMEASE

(Escherichia
coli) 		PF00860
(Xan_ur_permease) 		5 ILE A 292
ALA A  67
ILE A  65
ILE A 252
THR A 287
 None
 1.06A 4km0B-3qe7A:
undetectable		 4km0B-3qe7A:
19.53
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)
 0.62A 4km0B-3rg9A:
18.0		 4km0B-3rg9A:
33.06
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
ILE A  47
ASP A  54
PHE A  58
LEU A  90
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 ( 4.5A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
WRA  A 602 (-4.8A)
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.72A 4km0B-3rg9A:
18.0		 4km0B-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 248
ALA A 302
PHE A 289
ILE A 247
THR A 301
 None
 0.73A 4km0B-3shrA:
undetectable		 4km0B-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.
3sr3 MICROCIN IMMUNITY
PROTEIN MCCF

(Bacillus
anthracis) 		PF02016
(Peptidase_S66) 		5 ILE A 293
ILE A 226
PHE A 257
LEU A 211
ILE A 263
 None
 1.04A 4km0B-3sr3A:
undetectable		 4km0B-3sr3A:
18.64
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)
 0.51A 4km0B-3tq9A:
21.7		 4km0B-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)
 0.53A 4km0B-3um6A:
18.8		 4km0B-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
 0.53A 4km0B-3vcoA:
17.2		 4km0B-3vcoA:
37.38
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) 		5 ALA A   8
PHE A  32
THR A  53
ILE A 111
TYR A 117
 None
None
SO4  A 201 (-3.7A)
None
None
 0.80A 4km0B-3vcoA:
17.2		 4km0B-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.
3w1j L-SERYL-TRNA(SEC)
SELENIUM TRANSFERASE

(Aquifex
aeolicus) 		PF03841
(SelA) 		5 ILE A 339
ALA A  87
ILE A  80
LEU A 256
ILE A 342
 None
LLP  A 285 ( 4.1A)
LLP  A 285 (-4.6A)
None
None
 0.99A 4km0B-3w1jA:
2.3		 4km0B-3w1jA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zth STU0660

(Streptococcus
thermophilus) 		PF16813
(Cas_St_Csn2) 		5 ILE A  80
ILE A 222
PHE A 184
LEU A 192
ILE A  78
 None
 1.04A 4km0B-3zthA:
undetectable		 4km0B-3zthA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a34 RBSD/FUCU TRANSPORT
PROTEIN FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF05025
(RbsD_FucU) 		5 TRP A  86
ALA A 131
ILE A  50
ASP A  30
ILE A 134
 None
None
None
FUL  A1142 (-2.8A)
None
 1.10A 4km0B-4a34A:
undetectable		 4km0B-4a34A:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4amq L544

(Acanthamoeba
polyphaga
mimivirus) 		no annotation 5 ILE A  20
ILE A  31
PHE A 190
LEU A   8
ILE A  16
 None
 0.92A 4km0B-4amqA:
undetectable		 4km0B-4amqA:
15.97
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.
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)
 0.96A 4km0B-4d7sA:
undetectable		 4km0B-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.
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
 1.10A 4km0B-4fvlA:
undetectable		 4km0B-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)
 0.51A 4km0B-4g8zX:
19.3		 4km0B-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.
4gx0 TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N)
PF07885
(Ion_trans_2) 		5 ALA A 259
ILE A 416
LEU A 404
ILE A 439
THR A 260
 None
 1.12A 4km0B-4gx0A:
undetectable		 4km0B-4gx0A:
16.18
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.
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)
 0.54A 4km0B-4h96A:
17.8		 4km0B-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)
 0.51A 4km0B-4h98A:
17.7		 4km0B-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.
4j2h SHORT CHAIN ALCOHOL
DEHYDROGENASE-RELATE
D DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 ALA A 229
ILE A 187
THR A 170
LEU A 166
ILE A 141
 None
 1.07A 4km0B-4j2hA:
2.3		 4km0B-4j2hA:
24.14
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)
 0.60A 4km0B-4m2xA:
27.2		 4km0B-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) 		10 ILE A   5
TRP A   6
ALA A   7
ILE A  20
ASP A  27
PHE A  31
LEU A  50
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
None
TMQ  A 202 ( 3.5A)
NDP  A 201 (-4.0A)
TMQ  A 202 ( 2.7A)
TMQ  A 202 (-4.0A)
None
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.63A 4km0B-4m2xA:
27.2		 4km0B-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 4km0B-4m2xA:
27.2		 4km0B-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) 		6 TRP A   6
ASP A  27
GLN A  28
THR A  46
TYR A 100
THR A 113
 None
TMQ  A 202 ( 2.7A)
TMQ  A 202 ( 3.6A)
NDP  A 201 (-3.4A)
None
TMQ  A 202 (-4.2A)
 1.20A 4km0B-4m2xA:
27.2		 4km0B-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) 		6 TRP A   6
ILE A  20
ASP A  27
GLN A  28
TYR A 100
THR A 113
 None
NDP  A 201 (-4.0A)
TMQ  A 202 ( 2.7A)
TMQ  A 202 ( 3.6A)
None
TMQ  A 202 (-4.2A)
 1.31A 4km0B-4m2xA:
27.2		 4km0B-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) 		7 ILE A   5
TRP A   6
ALA A   7
ASP A  27
PHE A  31
THR A  46
THR A 116
 RAR  A 200 (-4.0A)
None
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)
 0.55A 4km0B-4m7vA:
21.3		 4km0B-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)
 1.08A 4km0B-4m7vA:
21.3		 4km0B-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.
4nho PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX23

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE A 473
ALA A 481
ILE A 503
LEU A 538
ILE A 472
 None
None
None
None
HG  A 909 (-3.6A)
 1.08A 4km0B-4nhoA:
undetectable		 4km0B-4nhoA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.03A 4km0B-4o27B:
undetectable		 4km0B-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)
 0.98A 4km0B-4ofgA:
undetectable		 4km0B-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)
 0.44A 4km0B-4p68A:
22.2		 4km0B-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
 0.96A 4km0B-4pl9A:
undetectable		 4km0B-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.
4pzv 2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE/DI
HYDROPTEROATE
SYNTHASE

(Francisella
tularensis) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		5 ILE A 210
ILE A 271
PHE A 234
LEU A 245
ILE A 208
 None
 1.02A 4km0B-4pzvA:
undetectable		 4km0B-4pzvA:
17.34
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.
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)
 0.94A 4km0B-4qx5A:
undetectable		 4km0B-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
 1.09A 4km0B-4xctA:
undetectable		 4km0B-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.
4xsr ALR3699 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 ALA B  88
ILE B  94
LEU B 140
ILE B 107
THR B  87
 None
None
None
EPE  B 401 ( 4.7A)
None
 1.01A 4km0B-4xsrB:
undetectable		 4km0B-4xsrB:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xym BETA SUBUNIT OF
ACYL-COA SYNTHETASE
(NDP FORMING)

(Candidatus
Korarchaeum
cryptofilum) 		PF13549
(ATP-grasp_5) 		5 ALA B 187
ILE B 220
ASP B 184
LEU B 138
ILE B 165
 None
 1.11A 4km0B-4xymB:
undetectable		 4km0B-4xymB:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN

(Homo sapiens) 		PF00017
(SH2)
PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B)
PF16454
(PI3K_P85_iSH2) 		5 ILE A1991
ALA A1907
ILE A1817
PHE A1998
ILE A1823
 None
 1.13A 4km0B-4yknA:
undetectable		 4km0B-4yknA:
8.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4km0B-4z07A:
undetectable		 4km0B-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.
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)
 1.09A 4km0B-5c8wA:
undetectable		 4km0B-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.
5cxw PENICILLIN-BINDING
PROTEIN 1A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		5 ILE A 315
ALA A 465
ILE A 426
ILE A 460
THR A 468
 None
 1.07A 4km0B-5cxwA:
undetectable		 4km0B-5cxwA:
17.20
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.
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)
 0.49A 4km0B-5dxvA:
13.9		 4km0B-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
 0.64A 4km0B-5fdaA:
15.6		 4km0B-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.
5h2v IMPORTIN SUBUNIT
BETA-3

(Saccharomyces
cerevisiae) 		PF13513
(HEAT_EZ) 		5 ILE A 887
ALA A 928
ILE A 974
LEU A 909
ILE A 923
 None
 1.10A 4km0B-5h2vA:
undetectable		 4km0B-5h2vA:
9.78
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.
5h8k N-CARBAMOYLPUTRESCIN
E AMIDOHYDROLASE

(Medicago
truncatula) 		PF00795
(CN_hydrolase) 		5 ALA A  13
ILE A 242
PHE A 179
LEU A 267
ILE A  43
 None
 1.00A 4km0B-5h8kA:
undetectable		 4km0B-5h8kA:
20.88
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.
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)
 0.99A 4km0B-5j48A:
undetectable		 4km0B-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.
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)
 0.52A 4km0B-5t0lA:
19.1		 4km0B-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
 1.06A 4km0B-5th6A:
undetectable		 4km0B-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.
5y09 PROTEASE DO-LIKE 9

(Arabidopsis
thaliana) 		no annotation 5 ILE A 292
ALA A 282
ILE A 269
LEU A 255
ILE A 309
 None
 1.03A 4km0B-5y09A:
undetectable		 4km0B-5y09A:
17.28
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)
 0.47A 4km0B-6cxmA:
25.1		 4km0B-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 10 ILE A   6
TRP A   7
ALA A   8
ILE A  21
ASP A  28
PHE A  32
LEU A  51
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
None
NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
None
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.50A 4km0B-6cxmA:
25.1		 4km0B-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 8 TRP A   7
ALA A   8
ILE A  21
ASP A  28
LEU A  58
ILE A  92
TYR A  98
THR A 111
 None
NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 1.40A 4km0B-6cxmA:
25.1		 4km0B-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.
6f2d FLAGELLAR
BIOSYNTHETIC PROTEIN
FLIP
FLAGELLAR
BIOSYNTHETIC PROTEIN
FLIR

(Salmonella
enterica) 		no annotation 5 ILE F  54
ALA A 154
ILE A 169
THR A 176
ILE F  50
 None
 1.13A 4km0B-6f2dF:
undetectable		 4km0B-6f2dF:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fkh ATP SYNTHASE SUBUNIT
ALPHA, CHLOROPLASTIC

(Spinacia
oleracea) 		no annotation 5 ALA C 180
ILE C 319
LEU C 298
ILE C 259
THR C 181
 None
 0.96A 4km0B-6fkhC:
undetectable		 4km0B-6fkhC:
19.75