SIMILAR PATTERNS OF AMINO ACIDS FOR 5Z6M_A_FOLA201

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
LEU A  55
ILE A 100
THR A 121
 None
 0.78A 5z6mA-1cz3A:
19.8		 5z6mA-1cz3A:
28.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		6 ILE A   7
ALA A   9
PHE A  34
LEU A  67
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
None
None
HBI  A 198 ( 4.5A)
 0.50A 5z6mA-1dr6A:
20.4		 5z6mA-1dr6A:
32.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hc7 PROLYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 ILE A 266
LEU A 261
TRP A 263
LEU A 285
ILE A 269
 None
 0.99A 5z6mA-1hc7A:
2.6		 5z6mA-1hc7A:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB

(Thermotoga
maritima) 		PF05491
(RuvB_C)
PF05496
(RuvB_N) 		5 ILE A 268
ALA A 320
LEU A 301
LEU A 286
THR A 317
 None
 0.89A 5z6mA-1in8A:
undetectable		 5z6mA-1in8A:
17.61
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.
1isc IRON(III) SUPEROXIDE
DISMUTASE

(Escherichia
coli) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 ILE A  18
ALA A 161
ASP A 156
LEU A   7
ILE A  23
 None
None
FE  A 193 ( 2.5A)
None
None
 1.06A 5z6mA-1iscA:
undetectable		 5z6mA-1iscA:
21.26
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.
1lsh LIPOVITELLIN (LV-1N,
LV-1C)

(Ichthyomyzon
unicuspis) 		PF01347
(Vitellogenin_N)
PF09172
(DUF1943) 		5 MET A 291
LEU A  46
ILE A 815
TYR A 281
THR A 120
 None
UPL  A2014 ( 4.2A)
UPL  A2014 ( 4.6A)
None
UPL  A2014 ( 3.9A)
 1.07A 5z6mA-1lshA:
undetectable		 5z6mA-1lshA:
8.86
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.
1r4n AMYLOID BETA
PRECURSOR
PROTEIN-BINDING
PROTEIN 1

(Homo sapiens) 		PF00899
(ThiF) 		5 ASP A 186
LEU A 185
LEU A 342
ILE A 329
THR A 279
 None
 1.08A 5z6mA-1r4nA:
undetectable		 5z6mA-1r4nA:
14.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r6b CLPA PROTEIN

(Escherichia
coli) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 ILE X 291
ALA X 293
PHE X 331
LEU X 211
ILE X 287
 None
 1.03A 5z6mA-1r6bX:
undetectable		 5z6mA-1r6bX:
12.91
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
LEU A  67
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
MTX  A 187 ( 4.5A)
None
MTX  A 187 (-4.4A)
 0.48A 5z6mA-1u70A:
19.8		 5z6mA-1u70A:
32.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		6 ILE A   7
ALA A   9
PHE A  34
LEU A  67
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
None
None
MXA  A 187 (-4.3A)
 0.48A 5z6mA-1u71A:
20.2		 5z6mA-1u71A:
32.28
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.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ILE A 168
LEU A 206
PHE A 169
LEU A 185
ILE A 164
 None
 0.99A 5z6mA-1vm7A:
undetectable		 5z6mA-1vm7A:
21.00
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) 		6 ALA A   7
ASP A  27
LEU A  28
PHE A  31
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
None
None
 0.95A 5z6mA-1zdrA:
24.3		 5z6mA-1zdrA:
40.49
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) 		6 ALA A   7
ASP A  27
LEU A  28
PHE A  31
LEU A  54
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3486 (-4.2A)
None
 1.03A 5z6mA-1zdrA:
24.3		 5z6mA-1zdrA:
40.49
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) 		6 ILE A   5
ALA A   7
LEU A  28
PHE A  31
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
None
None
 0.63A 5z6mA-1zdrA:
24.3		 5z6mA-1zdrA:
40.49
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) 		6 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LEU A  54
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3486 (-4.2A)
None
 0.83A 5z6mA-1zdrA:
24.3		 5z6mA-1zdrA:
40.49
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.
2bex RIBONUCLEASE
INHIBITOR

(Homo sapiens) 		PF13516
(LRR_6) 		5 ILE A 181
ALA A 156
ASP A 126
LEU A 129
LEU A 174
 None
 0.90A 5z6mA-2bexA:
undetectable		 5z6mA-2bexA:
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		5 ALA A  15
ASP A  53
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.90A 5z6mA-2blbA:
19.7		 5z6mA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ALA A  15
PHE A  57
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.60A 5z6mA-2blbA:
19.7		 5z6mA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bnh RIBONUCLEASE
INHIBITOR

(Sus scrofa) 		PF13516
(LRR_6) 		5 ILE A 177
ALA A 152
ASP A 122
LEU A 125
LEU A 170
 None
 1.06A 5z6mA-2bnhA:
undetectable		 5z6mA-2bnhA:
15.28
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.
2g36 TRYPTOPHANYL-TRNA
SYNTHETASE

(Thermotoga
maritima) 		PF00579
(tRNA-synt_1b) 		5 MET A 218
LEU A 273
PHE A 245
LEU A 281
ILE A  15
 None
 1.02A 5z6mA-2g36A:
undetectable		 5z6mA-2g36A:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
LEU A  91
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
None
None
 0.75A 5z6mA-2h2qA:
19.2		 5z6mA-2h2qA:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hjn MAINTENANCE OF
PLOIDY PROTEIN MOB1

(Saccharomyces
cerevisiae) 		PF03637
(Mob1_phocein) 		5 ALA A 189
LEU A 304
LEU A 279
ILE A 262
THR A 190
 None
 0.87A 5z6mA-2hjnA:
undetectable		 5z6mA-2hjnA:
18.60
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.
2hv2 HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 ILE A 325
LEU A 386
PHE A 297
LEU A 292
ILE A 323
 None
 1.05A 5z6mA-2hv2A:
undetectable		 5z6mA-2hv2A:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		5 ILE A  43
LEU A  57
PHE A  54
LEU A 250
ILE A 190
 None
 1.03A 5z6mA-2ocpA:
undetectable		 5z6mA-2ocpA:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  11
ASP A  32
LEU A  33
PHE A  36
LEU A  67
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.1A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 4.2A)
 0.91A 5z6mA-2oipA:
21.0		 5z6mA-2oipA:
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  11
ASP A  32
LEU A  33
PHE A  36
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.1A)
None
MTX  A 605 ( 4.2A)
 0.75A 5z6mA-2oipA:
21.0		 5z6mA-2oipA:
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.
2oze ORF DELTA'

(Streptococcus
pyogenes) 		PF13614
(AAA_31) 		5 ILE A 119
LEU A 125
PHE A  96
LEU A 144
ILE A  71
 None
 0.93A 5z6mA-2ozeA:
2.7		 5z6mA-2ozeA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.06A 5z6mA-2q0aA:
undetectable		 5z6mA-2q0aA:
24.51
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.
2qvs CAMP-DEPENDENT
PROTEIN KINASE TYPE
II-ALPHA REGULATORY
SUBUNIT

(Mus musculus) 		PF00027
(cNMP_binding) 		5 ASP B 229
LEU B 228
PHE B 233
LEU B 139
ILE B 237
 ASP  B 229 ( 0.5A)
LEU  B 228 ( 0.6A)
PHE  B 233 ( 1.3A)
LEU  B 139 ( 0.6A)
ILE  B 237 ( 0.6A)
 1.07A 5z6mA-2qvsB:
undetectable		 5z6mA-2qvsB:
18.06
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.
2qyg RIBULOSE
BISPHOSPHATE
CARBOXYLASE-LIKE
PROTEIN 2

(Rhodopseudomonas
palustris) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ILE A  22
LEU A 142
PHE A 137
LEU A 310
ILE A 135
 None
 0.95A 5z6mA-2qygA:
undetectable		 5z6mA-2qygA:
17.24
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) 		8 ALA A  11
ASP A  31
LEU A  32
PHE A  35
LEU A  61
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
VG9  A1168 (-3.9A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.83A 5z6mA-2w3wA:
24.9		 5z6mA-2w3wA:
33.92
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) 		5 ALA A   7
ASP A  27
LEU A  28
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 ( 4.5A)
 0.99A 5z6mA-2w9sA:
24.7		 5z6mA-2w9sA:
37.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
LEU A  28
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.83A 5z6mA-2w9sA:
24.7		 5z6mA-2w9sA:
37.42
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.
2wfh SLIT HOMOLOG 2
PROTEIN C-PRODUCT

(Homo sapiens) 		PF01462
(LRRNT)
PF01463
(LRRCT)
PF13855
(LRR_8) 		5 ASP A 847
LEU A 848
PHE A 821
LEU A 832
ILE A 816
 None
 1.08A 5z6mA-2wfhA:
undetectable		 5z6mA-2wfhA:
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.
2zcn BIOFILM OPERON
ICAABCD HTH-TYPE
NEGATIVE
TRANSCRIPTIONAL
REGULATOR ICAR

(Staphylococcus
epidermidis) 		PF00440
(TetR_N) 		5 ILE A 141
LEU A 135
PHE A 140
LEU A  76
ILE A 144
 None
 1.01A 5z6mA-2zcnA:
undetectable		 5z6mA-2zcnA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a1w IRON(II) TRANSPORT
PROTEIN B

(Thermotoga
maritima) 		PF02421
(FeoB_N) 		5 ILE A  65
LEU A  21
LEU A  97
ILE A 172
THR A  37
 None
 1.03A 5z6mA-3a1wA:
undetectable		 5z6mA-3a1wA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aiz DNA POLYMERASE
SLIDING CLAMP C

(Sulfurisphaera
tokodaii) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 ILE C  14
LEU C  78
PHE C  15
LEU C  27
TYR C  55
 None
 1.07A 5z6mA-3aizC:
undetectable		 5z6mA-3aizC:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dbi SUGAR-BINDING
TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		5 ILE A 305
ALA A  86
LEU A  66
LEU A 149
ILE A 301
 GOL  A 340 ( 4.1A)
None
None
None
None
 1.03A 5z6mA-3dbiA:
undetectable		 5z6mA-3dbiA:
18.39
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
ASP A  26
LEU A  27
PHE A  30
LEU A  54
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.3A)
 1.08A 5z6mA-3dfrA:
22.7		 5z6mA-3dfrA:
29.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.81A 5z6mA-3dg8A:
20.0		 5z6mA-3dg8A:
22.70
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ILE A  14
ALA A  16
PHE A  58
LEU A 119
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-4.3A)
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.49A 5z6mA-3dg8A:
20.0		 5z6mA-3dg8A:
22.70
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.
3i9y SENSOR PROTEIN

(Vibrio
parahaemolyticus) 		no annotation 5 ILE A  66
LEU A 306
PHE A 303
LEU A 126
ILE A  65
 None
 1.04A 5z6mA-3i9yA:
undetectable		 5z6mA-3i9yA:
18.51
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) 		6 ALA A   8
MET A  21
LEU A  29
PHE A  32
LEU A  55
THR A 115
 MTX  A 164 ( 3.7A)
MTX  A 164 (-3.3A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-4.3A)
 0.87A 5z6mA-3ia4A:
27.2		 5z6mA-3ia4A:
55.83
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) 		8 ILE A   6
ALA A   8
MET A  21
LEU A  29
PHE A  32
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-3.3A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.61A 5z6mA-3ia4A:
27.2		 5z6mA-3ia4A:
55.83
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) 		5 ALA A  10
LEU A  31
PHE A  34
LEU A  58
THR A 119
 MTX  A 200 (-3.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.98A 5z6mA-3ix9A:
23.8		 5z6mA-3ix9A:
41.38
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) 		5 ILE A   8
ALA A  10
LEU A  31
PHE A  34
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.4A)
MTX  A 200 ( 4.5A)
 0.67A 5z6mA-3ix9A:
23.8		 5z6mA-3ix9A:
41.38
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.
3j4r CAMP-DEPENDENT
PROTEIN KINASE TYPE
II-ALPHA REGULATORY
SUBUNIT

(Mus musculus) 		PF00027
(cNMP_binding)
PF02197
(RIIa) 		5 ASP B 231
LEU B 230
PHE B 235
LEU B 141
ILE B 239
 None
 1.08A 5z6mA-3j4rB:
undetectable		 5z6mA-3j4rB:
15.88
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.
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
 1.00A 5z6mA-3kjrA:
20.2		 5z6mA-3kjrA:
16.28
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.
3lml LIN1278 PROTEIN

(Listeria
innocua) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		5 ILE A 393
LEU A 423
PHE A 430
LEU A 453
ILE A 383
 None
 1.02A 5z6mA-3lmlA:
undetectable		 5z6mA-3lmlA:
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.
3of1 CAMP-DEPENDENT
PROTEIN KINASE
REGULATORY SUBUNIT

(Saccharomyces
cerevisiae) 		PF00027
(cNMP_binding) 		5 ILE A 212
ALA A 260
PHE A 247
LEU A 270
ILE A 211
 CMP  A 501 (-4.5A)
CMP  A 501 (-3.5A)
None
None
None
 1.02A 5z6mA-3of1A:
undetectable		 5z6mA-3of1A:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ogj PRKG1 PROTEIN

(Homo sapiens) 		PF00027
(cNMP_binding) 		6 ILE A 146
ALA A 194
PHE A 181
LEU A 204
ILE A 145
THR A 193
 CMP  A 250 ( 4.2A)
CMP  A 250 (-3.6A)
None
None
None
CMP  A 250 (-2.9A)
 1.12A 5z6mA-3ogjA:
undetectable		 5z6mA-3ogjA:
21.39
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 ALA A  34
ASP A  54
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.72A 5z6mA-3rg9A:
19.1		 5z6mA-3rg9A:
27.92
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
PHE A  58
LEU A  97
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
None
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.51A 5z6mA-3rg9A:
19.1		 5z6mA-3rg9A:
27.92
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.
3shr CGMP-DEPENDENT
PROTEIN KINASE 1

(Bos taurus) 		PF00027
(cNMP_binding) 		6 ILE A 130
ALA A 178
PHE A 165
LEU A 188
ILE A 129
THR A 177
 CMP  A 401 (-4.1A)
CMP  A 401 (-3.8A)
None
None
None
CMP  A 401 (-2.8A)
 1.25A 5z6mA-3shrA:
undetectable		 5z6mA-3shrA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5z6mA-3shrA:
undetectable		 5z6mA-3shrA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 ILE A  40
ALA A  59
LEU A 128
LEU A  34
ILE A  72
 None
 1.03A 5z6mA-3sutA:
undetectable		 5z6mA-3sutA:
16.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		6 ALA A   8
ASP A  28
LEU A  29
PHE A  32
ILE A  96
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.82A 5z6mA-3tq9A:
24.7		 5z6mA-3tq9A:
42.86
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
LEU A  29
PHE A  32
LEU A  55
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.76A 5z6mA-3tq9A:
24.7		 5z6mA-3tq9A:
42.86
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.
3u3g RIBONUCLEASE H

(uncultured
organism) 		no annotation 5 ILE D  25
LEU D  57
LEU D  67
ILE D   4
THR D   8
 None
 1.03A 5z6mA-3u3gD:
undetectable		 5z6mA-3u3gD:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ASP A  54
PHE A  58
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.85A 5z6mA-3um6A:
20.1		 5z6mA-3um6A:
13.05
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A  14
PHE A  58
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.63A 5z6mA-3um6A:
20.1		 5z6mA-3um6A:
13.05
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
 0.96A 5z6mA-3vcoA:
18.0		 5z6mA-3vcoA:
32.97
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
PHE A  32
LEU A  64
ILE A 111
TYR A 117
THR A 133
 None
 0.67A 5z6mA-3vcoA:
18.0		 5z6mA-3vcoA:
32.97
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.
3zth STU0660

(Streptococcus
thermophilus) 		PF16813
(Cas_St_Csn2) 		5 ILE A  80
LEU A 185
PHE A 184
LEU A  97
ILE A  78
 None
 1.08A 5z6mA-3zthA:
undetectable		 5z6mA-3zthA:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a7l MYOSIN IE HEAVY
CHAIN

(Dictyostelium
discoideum) 		PF00063
(Myosin_head) 		5 ILE C 279
LEU C 320
LEU C 309
ILE C 276
TYR C 228
 None
 0.96A 5z6mA-4a7lC:
undetectable		 5z6mA-4a7lC:
12.63
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		5 ILE A 313
ALA A 311
LEU A 304
LEU A 281
ILE A 316
 None
 1.07A 5z6mA-4cnkA:
undetectable		 5z6mA-4cnkA:
16.33
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.
4d7s STHK_CNBD_CGMP

(Spirochaeta
thermophila) 		PF00027
(cNMP_binding) 		6 ILE A 329
ALA A 379
PHE A 366
LEU A 389
ILE A 328
THR A 378
 PCG  A1423 (-4.2A)
PCG  A1423 (-3.9A)
None
None
None
PCG  A1423 (-3.0A)
 1.06A 5z6mA-4d7sA:
undetectable		 5z6mA-4d7sA:
21.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		7 ILE X  10
ALA X  12
PHE X  36
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.45A 5z6mA-4g8zX:
19.9		 5z6mA-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		8 ILE A   9
ALA A  11
MET A  25
PHE A  36
LEU A  69
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
NDP  A 201 (-3.9A)
14Q  A 202 (-4.0A)
None
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.77A 5z6mA-4h96A:
17.3		 5z6mA-4h96A:
32.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		7 ILE A   9
ALA A  11
PHE A  36
LEU A  69
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-3.8A)
None
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.48A 5z6mA-4h98A:
18.4		 5z6mA-4h98A:
26.67
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.
4jyj ENOYL-COA
HYDRATASE/ISOMERASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		5 ILE A  19
LEU A  35
PHE A  38
LEU A  94
ILE A  55
 None
 0.88A 5z6mA-4jyjA:
undetectable		 5z6mA-4jyjA:
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.
4k6j WINGS APART-LIKE
PROTEIN HOMOLOG

(Homo sapiens) 		PF07814
(WAPL) 		5 ALA A 739
ASP A 737
LEU A 736
LEU A 799
ILE A 745
 None
 1.03A 5z6mA-4k6jA:
undetectable		 5z6mA-4k6jA:
14.61
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.
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus) 		PF02128
(Peptidase_M36) 		5 ILE A 603
LEU A 612
PHE A 607
LEU A 530
ILE A 587
 None
 1.04A 5z6mA-4k90A:
undetectable		 5z6mA-4k90A:
18.18
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 ALA A   7
ASP A  27
PHE A  31
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.67A 5z6mA-4m2xA:
23.1		 5z6mA-4m2xA:
36.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  31
LEU A  57
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
None
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.56A 5z6mA-4m2xA:
23.1		 5z6mA-4m2xA:
36.63
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 ALA A   7
ASP A  27
LEU A  28
PHE A  31
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.4A)
 0.81A 5z6mA-4m7vA:
23.9		 5z6mA-4m7vA:
36.57
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 ALA A   7
LEU A  28
PHE A  31
LEU A  55
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 (-4.4A)
 0.93A 5z6mA-4m7vA:
23.9		 5z6mA-4m7vA:
36.57
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 ILE A   5
ALA A   7
LEU A  28
PHE A  31
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.4A)
 0.51A 5z6mA-4m7vA:
23.9		 5z6mA-4m7vA:
36.57
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.
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)
 1.02A 5z6mA-4ofgA:
undetectable		 5z6mA-4ofgA:
21.47
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) 		7 ALA A   7
MET A  20
ASP A  27
TRP A  30
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.6A)
MTX  A 201 (-3.0A)
None
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.66A 5z6mA-4p68A:
29.1		 5z6mA-4p68A:
98.11
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
MET A  20
TRP A  30
PHE A  31
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.6A)
None
MTX  A 201 (-4.1A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.39A 5z6mA-4p68A:
29.1		 5z6mA-4p68A:
98.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.97A 5z6mA-4qx5A:
undetectable		 5z6mA-4qx5A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4roa SERPIN 2

(Anopheles
gambiae) 		PF00079
(Serpin) 		5 ILE A 387
ALA A 401
LEU A  39
LEU A 242
ILE A 261
 None
 0.84A 5z6mA-4roaA:
undetectable		 5z6mA-4roaA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ufs LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5

(Homo sapiens) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8) 		5 ILE A 410
ALA A 406
ASP A 428
LEU A 367
ILE A 386
 None
 1.04A 5z6mA-4ufsA:
undetectable		 5z6mA-4ufsA:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wyr ACETYL-COA
ACETYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ILE A 275
ALA A 273
MET A 365
LEU A  92
ILE A 387
 None
 1.05A 5z6mA-4wyrA:
undetectable		 5z6mA-4wyrA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z07 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 146
ALA A 194
LEU A 204
ILE A 145
THR A 193
 PCG  A 401 ( 4.1A)
PCG  A 401 (-3.8A)
None
None
PCG  A 401 (-2.8A)
 1.01A 5z6mA-4z07A:
undetectable		 5z6mA-4z07A:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.07A 5z6mA-4z07A:
undetectable		 5z6mA-4z07A:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cc8 THIAMINE-MONOPHOSPHA
TE KINASE

(Acinetobacter
baumannii) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ILE A  60
LEU A  96
PHE A  99
LEU A  84
ILE A 127
 None
None
None
ANP  A 401 (-4.2A)
None
 1.00A 5z6mA-5cc8A:
undetectable		 5z6mA-5cc8A:
19.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
TRP A  47
PHE A  48
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
None
None
None
CME  A 140 ( 4.5A)
 0.44A 5z6mA-5dxvA:
16.9		 5z6mA-5dxvA:
67.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ILE A   5
LEU A  45
TRP A  47
PHE A  48
LEU A  71
ILE A 111
THR A 130
 None
PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
None
None
CME  A 140 ( 4.5A)
 0.82A 5z6mA-5dxvA:
16.9		 5z6mA-5dxvA:
67.78
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
LEU A  55
TYR A 101
THR A 114
 None
 0.48A 5z6mA-5fdaA:
20.4		 5z6mA-5fdaA:
79.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h3o CYCLIC
NUCLEOTIDE-GATED
CATION CHANNEL

(Caenorhabditis
elegans) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF16526
(CLZ) 		5 ALA A 577
PHE A 558
LEU A 587
ILE A 520
THR A 576
 PCG  A 801 ( 4.5A)
None
None
None
PCG  A 801 (-3.1A)
 0.99A 5z6mA-5h3oA:
undetectable		 5z6mA-5h3oA:
12.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hdh TOLL-LIKE RECEPTOR 8

(Homo sapiens) 		PF13855
(LRR_8) 		5 ILE A 359
LEU A 413
PHE A 387
LEU A 401
ILE A 357
 None
 1.02A 5z6mA-5hdhA:
undetectable		 5z6mA-5hdhA:
13.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.02A 5z6mA-5j48A:
undetectable		 5z6mA-5j48A:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT

(Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B) 		5 ILE A 339
ALA A 249
LEU A 325
LEU A 284
THR A 335
 None
 1.06A 5z6mA-5l9wA:
undetectable		 5z6mA-5l9wA:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  10
ASP A  31
PHE A  35
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
73X  A 704 (-3.2A)
None
73X  A 704 (-4.2A)
 0.72A 5z6mA-5t0lA:
20.3		 5z6mA-5t0lA:
13.60
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  10
PHE A  35
LEU A  94
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-3.2A)
None
None
73X  A 704 (-4.2A)
 0.45A 5z6mA-5t0lA:
20.3		 5z6mA-5t0lA:
13.60
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ALA A   8
ASP A  28
LEU A  58
ILE A  92
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 1.00A 5z6mA-6cxmA:
21.0		 5z6mA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ILE A   6
ALA A   8
PHE A  32
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.70A 5z6mA-6cxmA:
21.0		 5z6mA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ILE A   6
LEU A  29
PHE A  32
LEU A  58
ILE A  92
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 1.18A 5z6mA-6cxmA:
21.0		 5z6mA-6cxmA:
undetectable