SIMILAR PATTERNS OF AMINO ACIDS FOR 5Z6F_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
PHE A  31
THR A  47
ILE A  51
ARG A  58
THR A 121
 None
None
SO4  A 200 (-3.7A)
None
None
None
 0.42A 5z6fA-1cz3A:
20.5		 5z6fA-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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		6 ALA A   8
THR A  47
ILE A  51
ARG A  53
ARG A  58
THR A 121
 None
SO4  A 200 (-3.7A)
None
None
None
None
 0.68A 5z6fA-1cz3A:
20.5		 5z6fA-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) 		8 ILE A   7
ALA A   9
PHE A  34
THR A  56
ILE A  60
ARG A  70
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
None
None
HBI  A 198 ( 4.5A)
 0.66A 5z6fA-1dr6A:
21.2		 5z6fA-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.
1fnn CELL DIVISION
CONTROL PROTEIN 6

(Pyrobaculum
aerophilum) 		PF09079
(Cdc6_C)
PF13401
(AAA_22) 		5 ILE A 140
ALA A 133
LEU A 161
PHE A 144
ILE A  93
 None
 1.31A 5z6fA-1fnnA:
undetectable		 5z6fA-1fnnA:
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.
1io0 TROPOMODULIN

(Gallus gallus) 		no annotation 5 ILE A 231
LEU A 254
PHE A 229
THR A 186
ILE A 190
 None
 1.25A 5z6fA-1io0A:
undetectable		 5z6fA-1io0A:
20.90
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.
1jmk SURFACTIN SYNTHETASE

(Bacillus
subtilis) 		PF00975
(Thioesterase) 		5 ILE C 222
ALA C 220
LEU C 227
PHE C 226
ARG C 199
 None
 1.29A 5z6fA-1jmkC:
undetectable		 5z6fA-1jmkC:
20.09
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 LEU A  37
PHE A  40
LYS A  41
THR A  55
ARG A  66
 None
None
None
NDP  A 194 (-3.3A)
None
 1.03A 5z6fA-1juvA:
17.8		 5z6fA-1juvA:
27.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		5 ILE A 314
ALA A 355
LEU A  41
ILE A  63
ARG A  48
 None
 1.15A 5z6fA-1k7hA:
undetectable		 5z6fA-1k7hA:
15.79
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.
1lvw GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Methanothermobacter
thermautotrophicus) 		PF00483
(NTP_transferase) 		5 ILE A 183
ALA A  87
ILE A 157
ARG A 206
TYR A 176
 None
None
CL  A4001 ( 4.4A)
SO4  A5001 (-3.1A)
None
 1.30A 5z6fA-1lvwA:
undetectable		 5z6fA-1lvwA:
20.27
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.
1mhs PLASMA MEMBRANE
ATPASE

(Neurospora
crassa) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		5 ILE A 664
ALA A 354
LEU A 363
THR A 680
ILE A 684
 None
 1.25A 5z6fA-1mhsA:
undetectable		 5z6fA-1mhsA:
11.50
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.
1mio NITROGENASE
MOLYBDENUM IRON
PROTEIN (BETA CHAIN)

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		5 ILE B 277
LEU B 264
PHE B 276
THR B 284
ILE B 172
 None
 1.32A 5z6fA-1mioB:
undetectable		 5z6fA-1mioB:
17.35
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.
1szq 2-METHYLCITRATE
DEHYDRATASE

(Escherichia
coli) 		PF03972
(MmgE_PrpD) 		5 ILE A 354
ALA A 364
PHE A 358
ARG A 375
THR A 362
 None
 1.23A 5z6fA-1szqA:
undetectable		 5z6fA-1szqA:
18.33
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) 		8 ILE A   7
ALA A   9
PHE A  34
THR A  56
ILE A  60
ARG A  70
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)
MTX  A 187 ( 4.2A)
MTX  A 187 (-3.1A)
None
MTX  A 187 (-4.4A)
 0.57A 5z6fA-1u70A:
20.4		 5z6fA-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) 		8 ILE A   7
ALA A   9
PHE A  34
THR A  56
ILE A  60
ARG A  70
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)
MXA  A 187 ( 4.7A)
None
None
MXA  A 187 (-4.3A)
 0.54A 5z6fA-1u71A:
20.9		 5z6fA-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.
1wko TERMINAL FLOWER 1
PROTEIN

(Arabidopsis
thaliana) 		PF01161
(PBP) 		5 ALA A 162
LEU A  70
PHE A 128
ILE A  73
THR A  29
 None
 1.12A 5z6fA-1wkoA:
undetectable		 5z6fA-1wkoA:
24.10
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) 		9 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
ARG A  57
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.3A)
None
 0.46A 5z6fA-1zdrA:
25.3		 5z6fA-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.
2b4m GLYCINE
BETAINE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF04069
(OpuAC) 		5 ILE A 171
ALA A 218
PHE A 107
THR A 101
ILE A 244
 None
 1.33A 5z6fA-2b4mA:
undetectable		 5z6fA-2b4mA:
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ALA A  15
PHE A  57
ILE A 121
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.70A 5z6fA-2blbA:
20.8		 5z6fA-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.
2f7n DNA-BINDING STRESS
RESPONSE PROTEIN,
DPS FAMILY

(Deinococcus
radiodurans) 		PF00210
(Ferritin) 		5 ALA A  97
PHE A  79
LYS A  78
THR A 189
ILE A 190
 None
 1.34A 5z6fA-2f7nA:
undetectable		 5z6fA-2f7nA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gca FOLYLPOLYGLUTAMATE
SYNTHASE

(Lactobacillus
casei) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ILE A 188
THR A 271
ILE A 267
ARG A 263
THR A 153
 None
 0.98A 5z6fA-2gcaA:
undetectable		 5z6fA-2gcaA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gu0 NONSTRUCTURAL
PROTEIN 2

(Rotavirus C) 		PF02509
(Rota_NS35) 		5 ILE A 206
ALA A 201
PHE A 261
ILE A 188
TYR A 159
 None
 1.19A 5z6fA-2gu0A:
undetectable		 5z6fA-2gu0A:
16.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
PHE A  52
THR A  80
ILE A  84
ARG A  94
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
NAP  A 523 (-3.5A)
None
None
None
None
 0.62A 5z6fA-2h2qA:
20.0		 5z6fA-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.
2jr5 UPF0350 PROTEIN
VC_2471

(Vibrio cholerae) 		PF03937
(Sdh5) 		5 ILE A  10
ALA A  13
LEU A  47
PHE A  44
ILE A  77
 None
 1.21A 5z6fA-2jr5A:
undetectable		 5z6fA-2jr5A:
21.57
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.
2km6 NACHT, LRR AND PYD
DOMAINS-CONTAINING
PROTEIN 7

(Homo sapiens) 		PF02758
(PYRIN) 		5 ILE A  76
ALA A  72
LEU A  12
THR A  43
ILE A  59
 None
 1.11A 5z6fA-2km6A:
undetectable		 5z6fA-2km6A:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nya PERIPLASMIC NITRATE
REDUCTASE

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 ALA A 172
LEU A 319
THR A 358
ILE A 239
THR A 202
 None
 1.21A 5z6fA-2nyaA:
undetectable		 5z6fA-2nyaA:
11.04
Potential target for repurposing, i.e. matched protein structure has less than 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) 		8 ALA A  11
LEU A  33
PHE A  36
THR A  58
ILE A  62
ARG A  70
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 3.1A)
None
MTX  A 605 ( 4.2A)
 0.49A 5z6fA-2oipA:
21.6		 5z6fA-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.
2pd0 HYPOTHETICAL PROTEIN

(Cryptosporidium
parvum) 		PF11539
(DUF3228) 		5 ILE A  22
ALA A   9
LEU A  31
PHE A  30
ILE A  58
 None
 1.33A 5z6fA-2pd0A:
undetectable		 5z6fA-2pd0A:
24.45
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.
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		5 LEU A 345
THR A 320
ILE A 368
ARG A 353
THR A 342
 None
 1.25A 5z6fA-2qfqA:
undetectable		 5z6fA-2qfqA:
18.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		6 ALA A   8
LEU A  29
ILE A  51
ARG A  53
ARG A  58
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 3.5A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.4A)
 0.68A 5z6fA-2qk8A:
25.7		 5z6fA-2qk8A:
40.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		7 ALA A   8
LEU A  29
LYS A  33
ILE A  51
ARG A  58
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 2.8A)
None
MTX  A 200 ( 4.4A)
 0.56A 5z6fA-2qk8A:
25.7		 5z6fA-2qk8A:
40.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qp2 UNKNOWN PROTEIN

(Photorhabdus
laumondii) 		PF01823
(MACPF) 		5 ILE A 395
ALA A 494
LEU A 381
ILE A 364
THR A 495
 None
 1.21A 5z6fA-2qp2A:
undetectable		 5z6fA-2qp2A:
17.05
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		5 ILE G1170
ALA G1152
PHE G1154
THR G1193
ILE G1184
 None
 1.33A 5z6fA-2uv8G:
undetectable		 5z6fA-2uv8G:
6.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v0s LR1

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 ILE A  76
LEU A 141
THR A  82
ILE A 104
THR A  12
 None
 1.18A 5z6fA-2v0sA:
undetectable		 5z6fA-2v0sA:
21.49
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) 		7 ALA A  11
LEU A  32
PHE A  35
THR A  50
ARG A  64
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-4.7A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 3.7A)
None
VG9  A1168 ( 4.7A)
 0.40A 5z6fA-2w3wA:
24.9		 5z6fA-2w3wA:
33.92
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) 		5 PHE A  35
LYS A  36
THR A  50
ARG A  64
TYR A 108
 VG9  A1168 (-3.9A)
VG9  A1168 ( 4.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 3.7A)
None
 1.28A 5z6fA-2w3wA:
24.9		 5z6fA-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) 		9 ILE A   5
ALA A   7
LEU A  28
LYS A  32
THR A  46
ILE A  50
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.61A 5z6fA-2w9sA:
26.0		 5z6fA-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.
3asa LL-DIAMINOPIMELATE
AMINOTRANSFERASE

(Chlamydia
trachomatis) 		PF00155
(Aminotran_1_2) 		5 ILE A 218
ALA A 203
PHE A 219
ILE A 250
ARG A 225
 None
 1.18A 5z6fA-3asaA:
undetectable		 5z6fA-3asaA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		5 ALA A 456
LEU A 443
ILE A 482
ARG A 495
ARG A 501
 None
 1.30A 5z6fA-3ckbA:
undetectable		 5z6fA-3ckbA:
15.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
LEU A  27
PHE A  30
THR A  45
ARG A  57
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.45A 5z6fA-3dfrA:
24.2		 5z6fA-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) 		7 ILE A  14
ALA A  16
PHE A  58
ILE A 112
ARG A 122
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-4.3A)
RJ6  A 609 (-4.8A)
None
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.59A 5z6fA-3dg8A:
21.2		 5z6fA-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.
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF01266
(DAO) 		5 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
 None
None
FAD  A 500 (-3.8A)
None
None
 0.98A 5z6fA-3dmeA:
undetectable		 5z6fA-3dmeA:
18.03
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.
3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE

(Aspergillus
parasiticus) 		PF14765
(PS-DH) 		5 ILE A1545
ALA A1549
PHE A1617
THR A1354
THR A1590
 None
 1.22A 5z6fA-3hrrA:
undetectable		 5z6fA-3hrrA:
19.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
LEU X  28
THR X  46
ILE X  50
ARG X  57
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-4.4A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.46A 5z6fA-3i8aX:
25.9		 5z6fA-3i8aX:
36.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
LYS X  32
THR X  46
ILE X  50
ARG X  57
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
None
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.53A 5z6fA-3i8aX:
25.9		 5z6fA-3i8aX:
36.81
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) 		9 ILE A   6
ALA A   8
MET A  21
LEU A  29
PHE A  32
ILE A  51
ARG A  53
ARG A  58
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 (-4.1A)
MTX  A 164 (-3.8A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.3A)
 0.82A 5z6fA-3ia4A:
28.7		 5z6fA-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) 		11 ILE A   6
ALA A   8
MET A  21
LEU A  29
PHE A  32
LYS A  33
THR A  47
ILE A  51
ARG A  58
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 (-3.2A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 (-2.9A)
None
MTX  A 164 (-4.3A)
 0.50A 5z6fA-3ia4A:
28.7		 5z6fA-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) 		8 ILE A   8
ALA A  10
LEU A  31
PHE A  34
LYS A  35
THR A  49
ARG A  61
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 (-4.1A)
NDP  A 193 (-3.4A)
MTX  A 200 (-2.9A)
MTX  A 200 ( 4.5A)
 0.38A 5z6fA-3ix9A:
25.5		 5z6fA-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.
3k31 ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE

(Anaplasma
phagocytophilum) 		PF13561
(adh_short_C2) 		5 ILE A  14
ALA A  39
MET A  77
LEU A  88
ILE A 129
 None
 1.04A 5z6fA-3k31A:
undetectable		 5z6fA-3k31A:
16.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
THR A  69
ILE A  73
ARG A  83
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
NAP  A 512 (-3.6A)
None
None
None
None
 0.65A 5z6fA-3kjrA:
21.3		 5z6fA-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.
3mz1 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Sinorhizobium
meliloti) 		PF03466
(LysR_substrate) 		5 ILE A 117
LEU A 278
PHE A 281
THR A  92
ILE A 137
 None
 1.26A 5z6fA-3mz1A:
undetectable		 5z6fA-3mz1A:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF00342
(PGI) 		5 ILE A 493
ALA A 318
LEU A 488
ILE A 335
THR A 495
 None
 1.22A 5z6fA-3nbuA:
undetectable		 5z6fA-3nbuA:
13.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nvs 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio cholerae) 		PF00275
(EPSP_synthase) 		5 LEU A 346
THR A 321
ILE A 369
ARG A 354
THR A 343
 None
None
None
CL  A 436 ( 4.2A)
None
 1.23A 5z6fA-3nvsA:
undetectable		 5z6fA-3nvsA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pen TRANSLATION
INITIATION FACTOR 2
SUBUNIT GAMMA

(Sulfolobus
solfataricus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C) 		5 LEU A  25
PHE A  91
THR A  70
ILE A 195
THR A  34
 None
None
MG  A 417 (-4.3A)
None
None
 1.27A 5z6fA-3penA:
undetectable		 5z6fA-3penA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
PHE A  58
THR A  86
ARG A 100
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
None
None
WRA  A 602 (-4.2A)
 0.35A 5z6fA-3rg9A:
19.8		 5z6fA-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.
3rmt 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE 1

(Bacillus
halodurans) 		PF00275
(EPSP_synthase) 		5 ILE A  67
LEU A  37
THR A  99
ILE A 103
THR A  42
 None
 1.11A 5z6fA-3rmtA:
undetectable		 5z6fA-3rmtA:
17.80
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) 		5 ALA A   7
PHE A  32
THR A  47
ILE A  51
ARG A  58
 NDP  A1001 ( 4.1A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 (-2.8A)
 1.16A 5z6fA-3tq9A:
26.2		 5z6fA-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) 		9 ILE A   6
ALA A   8
LEU A  29
PHE A  32
LYS A  33
THR A  47
ILE A  51
ARG A  58
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
None
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 (-2.8A)
MTX  A2001 (-4.3A)
 0.32A 5z6fA-3tq9A:
26.2		 5z6fA-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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A  14
PHE A  58
THR A 108
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
1CY  A 609 (-4.3A)
 0.36A 5z6fA-3um6A:
21.1		 5z6fA-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.
3vax PUTATIVE
UNCHARACTERIZED
PROTEIN DNDA

(Streptomyces
lividans) 		PF00266
(Aminotran_5) 		5 ALA A 101
LEU A  78
THR A  94
ILE A  92
THR A  70
 PLP  A 400 ( 4.5A)
None
None
None
PLP  A 400 (-3.6A)
 1.29A 5z6fA-3vaxA:
undetectable		 5z6fA-3vaxA:
17.82
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) 		8 ALA A   8
PHE A  32
LYS A  33
THR A  53
ILE A  57
ARG A  67
TYR A 117
THR A 133
 None
None
None
SO4  A 201 (-3.7A)
None
None
None
None
 0.89A 5z6fA-3vcoA:
18.6		 5z6fA-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.
3w8s GLUTATHIONE
S-TRANSFERASE-3

(Necator
americanus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 ILE A  67
ALA A  62
LEU A  51
ILE A  32
ARG A  19
 None
None
GSH  A 301 (-4.5A)
None
None
 1.23A 5z6fA-3w8sA:
undetectable		 5z6fA-3w8sA:
21.63
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.
3zpp CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix) 		5 ILE A 295
ALA A 270
LYS A 282
THR A 221
ILE A 239
 None
 1.25A 5z6fA-3zppA:
undetectable		 5z6fA-3zppA:
17.41
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.
4e4f MANNONATE
DEHYDRATASE

(Pectobacterium
carotovorum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 198
PHE A 203
THR A 123
ILE A 146
ARG A 139
 None
 1.27A 5z6fA-4e4fA:
undetectable		 5z6fA-4e4fA:
17.41
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) 		8 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
ARG X  75
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 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.53A 5z6fA-4g8zX:
20.6		 5z6fA-4g8zX:
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.
4ga4 PUTATIVE THYMIDINE
PHOSPHORYLASE

(Thermococcus
kodakarensis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 ILE A 469
ALA A 437
LEU A 452
PHE A 467
THR A 487
 None
 1.14A 5z6fA-4ga4A:
undetectable		 5z6fA-4ga4A:
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.
4gt6 CELL SURFACE PROTEIN

(Faecalibacterium
prausnitzii) 		PF13306
(LRR_5) 		5 ILE A 213
LEU A 188
PHE A 205
ILE A 170
THR A 211
 EDO  A 908 (-3.0A)
None
EDO  A 908 ( 4.2A)
None
None
 1.23A 5z6fA-4gt6A:
undetectable		 5z6fA-4gt6A:
18.63
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) 		10 ILE A   9
ALA A  11
MET A  25
PHE A  36
LYS A  37
THR A  58
ILE A  62
ARG A  72
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
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
None
14Q  A 202 ( 4.6A)
 0.77A 5z6fA-4h96A:
18.5		 5z6fA-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) 		8 ILE A   9
ALA A  11
PHE A  36
THR A  58
ILE A  62
ARG A  72
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 (-4.2A)
None
None
14Q  A 302 (-4.2A)
 0.41A 5z6fA-4h98A:
19.3		 5z6fA-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.
4ixu ARGINASE-2,
MITOCHONDRIAL

(Homo sapiens) 		PF00491
(Arginase) 		5 ILE A 246
ALA A 291
ILE A 188
ARG A 169
ARG A 244
 None
 1.26A 5z6fA-4ixuA:
undetectable		 5z6fA-4ixuA:
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.
4jla ADENYLATE KINASE

(Aquifex
aeolicus) 		PF00406
(ADK) 		5 ILE A  65
ALA A  90
LEU A  97
THR A  31
ILE A  29
 None
None
None
ADP  A 302 (-3.6A)
None
 1.19A 5z6fA-4jlaA:
undetectable		 5z6fA-4jlaA:
20.28
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
THR A  46
ARG A  60
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
None
None
TMQ  A 202 (-4.2A)
 0.33A 5z6fA-4m2xA:
22.8		 5z6fA-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) 		7 ILE A   5
ALA A   7
LEU A  28
PHE A  31
THR A  46
ARG A  58
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.49A 5z6fA-4m7vA:
25.1		 5z6fA-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.
4mr0 PLASMIN AND
FIBRONECTIN-BINDING
PROTEIN A

(Streptococcus
pneumoniae) 		PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix) 		5 ILE A 306
ALA A 281
LYS A 293
THR A 232
ILE A 250
 None
 1.26A 5z6fA-4mr0A:
undetectable		 5z6fA-4mr0A:
12.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n80 UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 ILE A  69
LEU A  55
PHE A  56
THR A  76
ILE A  43
 None
 1.23A 5z6fA-4n80A:
undetectable		 5z6fA-4n80A:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ook METHIONINE
AMINOPEPTIDASE 2

(Mycobacterium
tuberculosis) 		PF00557
(Peptidase_M24) 		5 ILE A 112
LEU A   7
THR A 146
ILE A 127
THR A 256
 NA  A 304 (-4.8A)
None
None
None
None
 1.15A 5z6fA-4ookA:
undetectable		 5z6fA-4ookA:
22.11
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) 		5 ALA A   6
PHE A  31
LYS A  32
THR A  46
ILE A  50
 NAP  A 202 ( 4.2A)
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.9A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
 1.29A 5z6fA-4p68A:
30.5		 5z6fA-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) 		10 ILE A   5
ALA A   7
MET A  20
PHE A  31
LYS A  32
THR A  46
ILE A  50
ARG A  57
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.6A)
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.9A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
None
MTX  A 201 ( 4.5A)
 0.37A 5z6fA-4p68A:
30.5		 5z6fA-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.
4pki GELSOLIN,TROPOMODULI
N-1 CHIMERA

(Homo sapiens) 		PF00626
(Gelsolin) 		5 ILE G1231
LEU G1254
PHE G1229
THR G1186
ILE G1190
 None
 1.24A 5z6fA-4pkiG:
undetectable		 5z6fA-4pkiG:
16.46
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.
4rep GAMMA-CAROTENE
DESATURASE

(Nonlabens
dokdonensis) 		PF01593
(Amino_oxidase) 		5 ILE A  75
ALA A 234
LEU A  66
PHE A  67
ILE A 226
 None
 1.24A 5z6fA-4repA:
undetectable		 5z6fA-4repA:
14.46
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.
4u6u COG5

(Kluyveromyces
lactis) 		PF10392
(COG5) 		5 ALA B 279
PHE B 329
LYS B 330
ILE B 354
THR B 258
 None
 1.19A 5z6fA-4u6uB:
undetectable		 5z6fA-4u6uB:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uoz BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 ILE A  58
ALA A  95
MET A 146
LEU A  76
ILE A 156
 None
 1.28A 5z6fA-4uozA:
undetectable		 5z6fA-4uozA:
12.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 ILE A1419
MET A1525
LEU A1470
THR A1576
ILE A1581
 None
 1.32A 5z6fA-5a31A:
undetectable		 5z6fA-5a31A:
9.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aga DNA POLYMERASE THETA

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE A 715
ALA A 684
LEU A 694
ILE A 664
TYR A 652
 None
 1.33A 5z6fA-5agaA:
undetectable		 5z6fA-5agaA:
13.28
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.
5cb6 PROBABLE
ADENYLYL-SULFATE
KINASE

(Synechocystis
sp. PCC 6803) 		PF01583
(APS_kinase) 		5 ILE A  63
LEU A  39
THR A  98
ILE A  99
THR A  49
 None
 1.15A 5z6fA-5cb6A:
undetectable		 5z6fA-5cb6A:
22.28
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.
5dm4 METHYLTRANSFERASE
DOMAIN FAMILY

(Bacillus
pumilus) 		PF13489
(Methyltransf_23) 		5 ILE A 128
ALA A 252
LEU A 189
PHE A 132
ILE A 139
 None
 1.25A 5z6fA-5dm4A:
undetectable		 5z6fA-5dm4A:
17.95
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) 		5 ALA A   6
PHE A  48
THR A  63
ILE A  67
ARG A  74
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
 1.23A 5z6fA-5dxvA:
17.3		 5z6fA-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) 		8 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.39A 5z6fA-5dxvA:
17.3		 5z6fA-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) 		8 ILE A   5
LEU A  45
PHE A  48
THR A  63
ILE A  67
ARG A  74
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.69A 5z6fA-5dxvA:
17.3		 5z6fA-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) 		6 ILE A   6
ALA A   8
THR A  47
ILE A  51
TYR A 101
THR A 114
 None
 0.50A 5z6fA-5fdaA:
20.1		 5z6fA-5fdaA:
79.14
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) 		6 ILE A   6
THR A  47
ILE A  51
ARG A  58
TYR A 101
THR A 114
 None
 1.16A 5z6fA-5fdaA:
20.1		 5z6fA-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.
5h9d FARNESYL
PYROPHOSPHATE
SYNTHETASE
HEPTAPRENYL
DIPHOSPHATE SYNTHASE
(HEPPP SYNTHASE)
SUBUNIT 1 FAMILY
PROTEIN

(Staphylococcus
aureus;
Staphylococcus
aureus) 		PF00348
(polyprenyl_synt)
PF07307
(HEPPP_synt_1) 		5 ILE C  88
ALA C  86
LEU A 118
THR C  50
ILE C  51
 None
 1.31A 5z6fA-5h9dC:
undetectable		 5z6fA-5h9dC:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5loy DESIGNED ANBU
PROTEIN

(synthetic
construct) 		PF00227
(Proteasome) 		5 ILE A  44
ALA A  76
LEU A  62
ILE A 128
THR A  75
 None
 1.28A 5z6fA-5loyA:
undetectable		 5z6fA-5loyA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
PHE A  35
THR A  83
ARG A  97
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.2A)
None
None
73X  A 704 (-4.2A)
 0.29A 5z6fA-5t0lA:
21.4		 5z6fA-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.
6aon DIHYDROLIPOYL
DEHYDROGENASE

(Bordetella
pertussis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 241
ALA A 235
PHE A 218
THR A 362
ILE A 366
 None
 1.09A 5z6fA-6aonA:
undetectable		 5z6fA-6aonA:
16.98
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.
6bde 2,4-DIHYDROXYHEPT-2-
ENE-1,7-DIOIC ACID
ALDOLASE

(Kordia algicida) 		no annotation 5 ILE A 132
MET A 147
LEU A 162
LYS A 164
THR A 130
 None
HEM  A 201 (-4.3A)
None
None
None
 1.19A 5z6fA-6bdeA:
undetectable		 5z6fA-6bdeA:
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B
ALTERNATIVE COMPLEX
III SUBUNIT C

(Flavobacterium
johnsoniae;
Flavobacterium
johnsoniae) 		no annotation
no annotation 		5 ILE C  57
THR C  67
ILE C  65
ARG B 883
THR C 420
 None
 1.25A 5z6fA-6btmC:
undetectable		 5z6fA-6btmC:
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 8 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.43A 5z6fA-6cxmA:
21.7		 5z6fA-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
LEU A  29
PHE A  32
THR A  47
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.73A 5z6fA-6cxmA:
21.7		 5z6fA-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.
6e4e -

(-) 		no annotation 6 ALA A   7
LEU A  28
THR A  46
ILE A  50
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.41A 5z6fA-6e4eA:
25.9		 5z6fA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6en4 SPLICING FACTOR 3B
SUBUNIT 1

(Homo sapiens) 		no annotation 5 ALA C 636
LEU C 648
PHE C 647
THR C 628
ARG C 614
 None
 1.29A 5z6fA-6en4C:
undetectable		 5z6fA-6en4C:
undetectable