SIMILAR PATTERNS OF AMINO ACIDS FOR 4G8Z_X_TOPX301_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b0a PROTEIN (FOLD
BIFUNCTIONAL
PROTEIN)

(Escherichia
coli) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 ILE A 207
ALA A 162
SER A 254
ILE A 228
THR A 186
 None
 1.27A 4g8zX-1b0aA:
undetectable		 4g8zX-1b0aA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ck7 PROTEIN (GELATINASE
A)

(Homo sapiens) 		PF00040
(fn2)
PF00045
(Hemopexin)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		5 ILE A 473
ALA A 635
PHE A 475
PRO A 499
ILE A 468
 None
 1.03A 4g8zX-1ck7A:
undetectable		 4g8zX-1ck7A:
14.90
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.
1dpt D-DOPACHROME
TAUTOMERASE

(Homo sapiens) 		PF01187
(MIF) 		5 ILE A  95
SER A  62
PRO A   1
ILE A  97
THR A   7
 None
 1.28A 4g8zX-1dptA:
undetectable		 4g8zX-1dptA:
21.74
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) 		9 ILE A   7
ALA A   9
LEU A  22
GLU A  30
PHE A  34
SER A  59
PRO A  61
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-3.0A)
HBI  A 198 (-4.1A)
NAP  A 191 ( 4.1A)
None
None
HBI  A 198 ( 4.5A)
 0.64A 4g8zX-1dr6A:
25.2		 4g8zX-1dr6A:
39.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g6o CAG-ALPHA

(Helicobacter
pylori) 		PF00437
(T2SSE) 		5 ALA A  31
LEU A  28
PHE A  36
SER A 106
ILE A 130
 None
 1.27A 4g8zX-1g6oA:
undetectable		 4g8zX-1g6oA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1itx GLYCOSYL HYDROLASE

(Bacillus
circulans) 		PF00704
(Glyco_hydro_18) 		5 ILE A 116
ALA A 184
LEU A 227
PRO A 206
ILE A  80
 None
 1.01A 4g8zX-1itxA:
undetectable		 4g8zX-1itxA:
19.52
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.
1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE

(Methanocaldococcus
jannaschii) 		PF01862
(PvlArgDC) 		5 ILE A  93
ALA A 161
LEU A  64
ILE A 144
THR A  75
 None
 1.17A 4g8zX-1n2mA:
undetectable		 4g8zX-1n2mA:
20.18
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.
1nt4 GLUCOSE-1-PHOSPHATAS
E

(Escherichia
coli) 		PF00328
(His_Phos_2) 		5 LEU A 265
PHE A 322
SER A 295
ILE A 320
THR A 284
 None
 1.27A 4g8zX-1nt4A:
undetectable		 4g8zX-1nt4A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oal SUPEROXIDE DISMUTASE

(Photobacterium
leiognathi) 		PF00080
(Sod_Cu) 		5 ILE A 122
ALA A 146
LEU A  37
PHE A  44
ILE A  19
 None
 1.02A 4g8zX-1oalA:
undetectable		 4g8zX-1oalA:
19.50
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.
1s0u TRANSLATION
INITIATION FACTOR 2
GAMMA SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C) 		5 ILE A  75
ALA A 241
LEU A 317
SER A 113
THR A 335
 None
 1.18A 4g8zX-1s0uA:
undetectable		 4g8zX-1s0uA:
18.93
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
GLU A  30
PHE A  34
SER A  59
PRO A  61
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-3.0A)
MTX  A 187 (-4.3A)
NDP  A 188 ( 3.8A)
MTX  A 187 (-4.8A)
None
MTX  A 187 (-4.4A)
 0.70A 4g8zX-1u70A:
24.9		 4g8zX-1u70A:
36.89
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) 		7 ILE A   7
ALA A   9
GLU A  30
PHE A  34
PRO A  61
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
MXA  A 187 (-3.9A)
MXA  A 187 (-4.4A)
None
MXA  A 187 (-4.3A)
 0.56A 4g8zX-1u71A:
25.2		 4g8zX-1u71A:
36.89
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) 		7 ILE A   7
ALA A   9
GLU A  30
SER A  59
PRO A  61
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
MXA  A 187 (-3.8A)
MXA  A 187 (-4.4A)
None
MXA  A 187 (-4.3A)
 0.76A 4g8zX-1u71A:
25.2		 4g8zX-1u71A:
36.89
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.
1up2 CELA1 PROTEIN

(Mycobacterium
tuberculosis) 		PF01341
(Glyco_hydro_6) 		5 ILE A 201
ALA A 240
LEU A  91
PRO A 331
ILE A 202
 None
 1.18A 4g8zX-1up2A:
undetectable		 4g8zX-1up2A:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uus STAT PROTEIN

(Dictyostelium
discoideum) 		PF00017
(SH2)
PF09267
(Dict-STAT-coil) 		5 ILE A 588
LEU A 686
PHE A 651
ILE A 611
THR A 581
 None
 1.17A 4g8zX-1uusA:
undetectable		 4g8zX-1uusA:
17.57
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.
1z26 ARGONAUTE

(Pyrococcus
furiosus) 		PF02171
(Piwi)
PF12212
(PAZ_siRNAbind) 		5 ILE A 554
ALA A 739
SER A 572
PRO A 587
ILE A 555
 None
 1.07A 4g8zX-1z26A:
undetectable		 4g8zX-1z26A:
13.49
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  20
PHE A  31
ILE A  96
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
None
None
 0.46A 4g8zX-1zdrA:
19.7		 4g8zX-1zdrA:
33.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		9 ILE A  13
ALA A  15
LEU A  45
PHE A  57
SER A 120
PRO A 122
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
None
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.63A 4g8zX-2blbA:
21.4		 4g8zX-2blbA:
28.74
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.
2gza TYPE IV SECRETION
SYSTEM PROTEIN
VIRB11

(Brucella suis) 		PF00437
(T2SSE) 		5 ILE A 208
ALA A 242
SER A 275
ILE A 256
THR A 240
 None
 1.19A 4g8zX-2gzaA:
undetectable		 4g8zX-2gzaA:
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
PHE A  52
SER A  83
PRO A  85
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
NAP  A 523 ( 4.4A)
None
None
None
None
 0.63A 4g8zX-2h2qA:
21.4		 4g8zX-2h2qA:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i9k MODIFICATION
METHYLASE HHAI

(Haemophilus
haemolyticus) 		PF00145
(DNA_methylase) 		5 ILE A 169
LEU A   9
PHE A 117
SER A  30
ILE A 314
 None
 1.27A 4g8zX-2i9kA:
undetectable		 4g8zX-2i9kA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jam CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1G

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 278
ALA A 283
PHE A 254
ILE A 125
THR A 282
 None
 1.24A 4g8zX-2jamA:
undetectable		 4g8zX-2jamA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jc6 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1D

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 279
ALA A 284
PHE A 255
ILE A 125
THR A 283
 None
 1.24A 4g8zX-2jc6A:
undetectable		 4g8zX-2jc6A:
20.06
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.
2kvk ACTIN SEVERING AND
DYNAMICS REGULATORY
PROTEIN

(Leishmania
donovani) 		PF00241
(Cofilin_ADF) 		5 ILE A  31
ALA A 101
SER A 108
ILE A  38
TYR A  64
 None
 1.23A 4g8zX-2kvkA:
undetectable		 4g8zX-2kvkA:
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.
2oh3 COG1633:
UNCHARACTERIZED
CONSERVED PROTEIN

(Magnetospirillum
magnetotacticum) 		PF02915
(Rubrerythrin) 		5 ILE A  56
ALA A  14
LEU A  68
TYR A 111
THR A  17
 None
 1.20A 4g8zX-2oh3A:
undetectable		 4g8zX-2oh3A:
20.57
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  11
LEU A  25
PHE A  36
SER A  61
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 4.5A)
None
MTX  A 605 ( 4.2A)
 0.69A 4g8zX-2oipA:
21.9		 4g8zX-2oipA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pfv EXOCYST COMPLEX
COMPONENT EXO70

(Saccharomyces
cerevisiae) 		PF03081
(Exo70) 		5 ILE A 352
ALA A 371
PRO A 456
ILE A 353
THR A 372
 None
 1.20A 4g8zX-2pfvA:
undetectable		 4g8zX-2pfvA:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qqc PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC)

(Methanocaldococcus
jannaschii) 		PF01862
(PvlArgDC) 		5 ILE B  93
ALA B 161
LEU B  64
ILE B 144
THR B  75
 None
 1.16A 4g8zX-2qqcB:
undetectable		 4g8zX-2qqcB:
19.31
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.
2r66 GLYCOSYL
TRANSFERASE, GROUP 1

(Halothermothrix
orenii) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 ILE A 226
ALA A 449
PRO A 145
ILE A 195
TYR A  38
 None
 1.10A 4g8zX-2r66A:
undetectable		 4g8zX-2r66A:
17.46
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.
2vxr BOTULINUM NEUROTOXIN
TYPE G

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 ILE A1069
ALA A 869
PHE A1067
SER A1011
ILE A 935
 None
 1.15A 4g8zX-2vxrA:
undetectable		 4g8zX-2vxrA:
16.70
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
PHE A  35
SER A  53
PRO A  55
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.9A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.81A 4g8zX-2w3wA:
21.2		 4g8zX-2w3wA:
32.35
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  20
SER A  49
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-3.5A)
None
TOP  A1160 ( 4.5A)
 0.24A 4g8zX-2w9sA:
19.9		 4g8zX-2w9sA:
33.85
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 ILE A  31
ALA A   7
LEU A  20
SER A  49
THR A 111
 TOP  A1160 (-4.8A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-3.5A)
TOP  A1160 ( 4.5A)
 1.13A 4g8zX-2w9sA:
19.9		 4g8zX-2w9sA:
33.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x3k ACSD

(Dickeya
chrysanthemi) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		5 ILE A 280
ALA A 191
LEU A 139
GLU A 193
ILE A 300
 None
 1.12A 4g8zX-2x3kA:
undetectable		 4g8zX-2x3kA:
14.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x77 ADP-RIBOSYLATION
FACTOR

(Leishmania
major) 		PF00025
(Arf) 		5 LEU A  24
GLU A  67
SER A 122
ILE A  21
THR A  58
 None
 1.11A 4g8zX-2x77A:
undetectable		 4g8zX-2x77A:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3afl OLIGO ALGINATE LYASE

(Agrobacterium
fabrum) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		5 ILE A 374
ALA A 376
LEU A 345
PRO A 351
TYR A 389
 None
 1.24A 4g8zX-3aflA:
undetectable		 4g8zX-3aflA:
13.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3apm PROTEIN-ARGININE
DEIMINASE TYPE-4

(Homo sapiens) 		PF03068
(PAD)
PF08526
(PAD_N)
PF08527
(PAD_M) 		5 ILE A  42
LEU A  70
SER A  32
ILE A  94
THR A  67
 None
 1.27A 4g8zX-3apmA:
undetectable		 4g8zX-3apmA:
13.88
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.
3bil PROBABLE LACI-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Corynebacterium
glutamicum) 		PF13407
(Peripla_BP_4) 		5 ILE A 291
PHE A 245
SER A 212
ILE A 171
THR A 289
 None
 1.21A 4g8zX-3bilA:
undetectable		 4g8zX-3bilA:
20.23
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.
3d1c FLAVIN-CONTAINING
PUTATIVE
MONOOXYGENASE

(Staphylococcus
aureus) 		PF13738
(Pyr_redox_3) 		5 ILE A 157
ALA A 180
PHE A 163
PRO A 260
ILE A 152
 SO4  A 370 (-4.7A)
None
SO4  A 370 ( 4.3A)
None
None
 0.98A 4g8zX-3d1cA:
undetectable		 4g8zX-3d1cA:
18.89
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.
3d7l LIN1944 PROTEIN

(Listeria
innocua) 		PF13561
(adh_short_C2) 		5 ILE A 147
ALA A 140
PHE A 107
ILE A  98
THR A 192
 None
 1.26A 4g8zX-3d7lA:
undetectable		 4g8zX-3d7lA:
23.91
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
LEU A  19
SER A  48
PRO A  50
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.6A)
MTX  A 164 ( 4.3A)
 0.84A 4g8zX-3dfrA:
20.2		 4g8zX-3dfrA:
28.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		8 ILE A  14
ALA A  16
LEU A  46
PHE A  58
SER A 111
PRO A 113
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-4.3A)
RJ6  A 609 ( 3.8A)
None
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.68A 4g8zX-3dg8A:
21.8		 4g8zX-3dg8A:
23.61
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.
3gb0 PEPTIDASE T

(Bacillus cereus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ILE A  72
LEU A 122
PHE A  74
ILE A 366
THR A 131
 None
 1.20A 4g8zX-3gb0A:
undetectable		 4g8zX-3gb0A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE

(Aspergillus
parasiticus) 		PF14765
(PS-DH) 		5 ILE A1545
ALA A1549
LEU A1622
PHE A1617
THR A1590
 None
 1.21A 4g8zX-3hrrA:
undetectable		 4g8zX-3hrrA:
20.00
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) 		5 ALA X   7
LEU X  20
SER X  49
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-3.3A)
None
N22  X 219 (-4.4A)
 0.65A 4g8zX-3i8aX:
19.9		 4g8zX-3i8aX:
30.19
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.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		8 ILE A   6
ALA A   8
GLU A  28
PHE A  32
SER A  50
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.1A)
NDP  A 163 ( 3.8A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.29A 4g8zX-3ia4A:
20.2		 4g8zX-3ia4A:
29.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		6 ILE A   8
ALA A  10
LEU A  23
GLU A  30
PHE A  34
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 (-2.7A)
MTX  A 200 (-4.4A)
MTX  A 200 ( 4.5A)
 0.36A 4g8zX-3ix9A:
20.4		 4g8zX-3ix9A:
24.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
SER A  72
PRO A  74
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
NAP  A 512 ( 4.2A)
None
None
None
 0.61A 4g8zX-3kjrA:
22.7		 4g8zX-3kjrA:
18.26
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.
3ntl ACID
GLUCOSE-1-PHOSPHATE
PHOSPHATASE

(Enterobacter
cloacae) 		PF00328
(His_Phos_2) 		5 LEU A 263
PHE A 320
SER A 293
ILE A 318
THR A 282
 None
 1.11A 4g8zX-3ntlA:
undetectable		 4g8zX-3ntlA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ogj PRKG1 PROTEIN

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 146
ALA A 194
PHE A 181
ILE A 145
THR A 193
 CMP  A 250 ( 4.2A)
CMP  A 250 (-3.6A)
None
None
CMP  A 250 (-2.9A)
 1.06A 4g8zX-3ogjA:
undetectable		 4g8zX-3ogjA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p5p TAXADIENE SYNTHASE

(Taxus
brevifolia) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ILE A 375
ALA A 378
LEU A 130
SER A 534
ILE A 362
 None
 1.25A 4g8zX-3p5pA:
undetectable		 4g8zX-3p5pA:
12.75
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.
3pw3 AMINOPEPTIDASE C

(Parabacteroides
distasonis) 		PF03051
(Peptidase_C1_2) 		5 ILE A 266
ALA A 393
PHE A 256
PRO A 248
ILE A 387
 None
 1.19A 4g8zX-3pw3A:
undetectable		 4g8zX-3pw3A:
20.86
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		7 ALA A  34
PHE A  58
SER A  89
PRO A  91
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
WRA  A 602 ( 4.2A)
WRA  A 602 (-4.3A)
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.75A 4g8zX-3rg9A:
22.4		 4g8zX-3rg9A:
28.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.75A 4g8zX-3shrA:
undetectable		 4g8zX-3shrA:
21.26
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  21
PHE A  32
SER A  50
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-4.3A)
NDP  A1001 ( 3.0A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.40A 4g8zX-3tq9A:
20.4		 4g8zX-3tq9A:
30.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A  14
LEU A  46
PHE A  58
SER A 111
PRO A 113
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.64A 4g8zX-3um6A:
21.7		 4g8zX-3um6A:
15.99
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
SER A  56
ILE A 111
TYR A 117
THR A 133
 None
 0.79A 4g8zX-3vcoA:
22.3		 4g8zX-3vcoA:
32.88
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
SER A  56
PRO A  58
ILE A 111
TYR A 117
 None
 0.93A 4g8zX-3vcoA:
22.3		 4g8zX-3vcoA:
32.88
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.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 ILE A 723
LEU A 630
PHE A 667
SER A 663
ILE A 721
 None
 1.25A 4g8zX-3wfaA:
undetectable		 4g8zX-3wfaA:
14.62
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.
3wrc GALLATE DIOXYGENASE

(Sphingomonas
paucimobilis) 		PF02900
(LigB)
PF07746
(LigA) 		5 ILE A 173
ALA A 249
LEU A 245
PHE A  53
ILE A 103
 None
 1.04A 4g8zX-3wrcA:
undetectable		 4g8zX-3wrcA:
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.
3wsb FARNESYLTRANSFERASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF00494
(SQS_PSY) 		5 ILE A 318
ALA A 290
LEU A 203
ILE A 285
THR A 293
 None
None
RWZ  A 502 (-4.6A)
None
None
 1.21A 4g8zX-3wsbA:
undetectable		 4g8zX-3wsbA:
20.86
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.
4b8w GDP-L-FUCOSE
SYNTHASE

(Homo sapiens) 		PF01370
(Epimerase) 		5 ILE A 240
ALA A 167
PRO A 119
ILE A 241
THR A 166
 None
 1.18A 4g8zX-4b8wA:
undetectable		 4g8zX-4b8wA:
17.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d7s STHK_CNBD_CGMP

(Spirochaeta
thermophila) 		PF00027
(cNMP_binding) 		5 ILE A 329
ALA A 379
PHE A 366
ILE A 328
THR A 378
 PCG  A1423 (-4.2A)
PCG  A1423 (-3.9A)
None
None
PCG  A1423 (-3.0A)
 0.95A 4g8zX-4d7sA:
undetectable		 4g8zX-4d7sA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dny METALLOPROTEASE STCE

(Escherichia
coli) 		no annotation 5 ILE A 152
LEU A 162
GLU A 158
PRO A 196
THR A 155
 None
 1.24A 4g8zX-4dnyA:
undetectable		 4g8zX-4dnyA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dy0 GLIA-DERIVED NEXIN

(Homo sapiens) 		PF00079
(Serpin) 		5 ILE A 362
LEU A 274
PHE A 360
PRO A 379
ILE A 326
 None
 1.11A 4g8zX-4dy0A:
undetectable		 4g8zX-4dy0A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f2g ORNITHINE
CARBAMOYLTRANSFERASE
1

(Burkholderia
thailandensis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ILE A  51
LEU A  10
PHE A 117
ILE A 104
THR A 108
 None
 0.80A 4g8zX-4f2gA:
undetectable		 4g8zX-4f2gA:
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.
4fg8 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 276
ALA A 281
PHE A 252
ILE A 122
THR A 280
 None
 1.19A 4g8zX-4fg8A:
undetectable		 4g8zX-4fg8A:
19.24
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) 		9 ILE A   9
ALA A  11
GLU A  32
PHE A  36
SER A  61
PRO A  63
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-2.8A)
14Q  A 202 (-4.0A)
14Q  A 202 (-3.9A)
None
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.80A 4g8zX-4h96A:
23.6		 4g8zX-4h96A:
35.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		10 ILE A   9
ALA A  11
LEU A  25
GLU A  32
PHE A  36
SER A  61
PRO A  63
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.8A)
14Q  A 302 (-3.8A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.4A)
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.50A 4g8zX-4h98A:
22.4		 4g8zX-4h98A:
34.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hds ARSA

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		6 ILE A 188
LEU A 305
PHE A 192
SER A 283
PRO A 281
ILE A 275
 None
 1.42A 4g8zX-4hdsA:
undetectable		 4g8zX-4hdsA:
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.
4kxb GLUTAMYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 ILE A 121
ALA A 241
PHE A 234
SER A 126
ILE A 123
 None
 1.20A 4g8zX-4kxbA:
undetectable		 4g8zX-4kxbA:
14.45
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.
4l22 PHOSPHORYLASE

(Streptococcus
mutans) 		PF00343
(Phosphorylase) 		5 ALA A 385
LEU A 387
GLU A 626
SER A 643
THR A 412
 None
 1.28A 4g8zX-4l22A:
undetectable		 4g8zX-4l22A:
13.42
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
SER A  49
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.6A)
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.54A 4g8zX-4m2xA:
19.8		 4g8zX-4m2xA:
30.54
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
PHE A  31
SER A  49
PRO A  51
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.6A)
TMQ  A 202 (-4.2A)
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.76A 4g8zX-4m2xA:
19.8		 4g8zX-4m2xA:
30.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ILE A   5
ALA A   7
LEU A  20
PHE A  31
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.4A)
 0.25A 4g8zX-4m7vA:
19.2		 4g8zX-4m7vA:
28.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nee AP-2 COMPLEX SUBUNIT
ALPHA-2

(Rattus
norvegicus) 		no annotation 5 ILE G 314
ALA G 349
LEU G 345
SER G 303
PRO G 295
 None
 1.20A 4g8zX-4neeG:
undetectable		 4g8zX-4neeG:
18.23
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.
4oc9 PUTATIVE
O-ACETYLHOMOSERINE
(THIOL)-LYASE

(Campylobacter
jejuni) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A 399
GLU A 345
PHE A 344
ILE A 355
THR A 397
 None
 1.17A 4g8zX-4oc9A:
undetectable		 4g8zX-4oc9A:
18.42
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.
4oc9 PUTATIVE
O-ACETYLHOMOSERINE
(THIOL)-LYASE

(Campylobacter
jejuni) 		PF01053
(Cys_Met_Meta_PP) 		5 ILE A 401
ALA A 399
GLU A 345
PHE A 344
ILE A 355
 None
 1.29A 4g8zX-4oc9A:
undetectable		 4g8zX-4oc9A:
18.42
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 ILE A   5
ALA A   7
PHE A  31
SER A  49
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.7A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.44A 4g8zX-4p68A:
20.4		 4g8zX-4p68A:
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.
4pia AUTOLYSIN E

(Staphylococcus
aureus) 		PF01832
(Glucosaminidase) 		5 ALA A 135
LEU A 131
ILE A 163
TYR A 224
THR A 139
 None
 1.23A 4g8zX-4piaA:
undetectable		 4g8zX-4piaA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qx5 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
 CMP  A 401 (-4.0A)
CMP  A 401 (-3.7A)
None
None
CMP  A 401 (-2.9A)
 0.94A 4g8zX-4qx5A:
undetectable		 4g8zX-4qx5A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ywj 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Pseudomonas
aeruginosa) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		5 ILE A   4
ALA A  32
LEU A  63
ILE A  74
THR A  31
 None
 1.14A 4g8zX-4ywjA:
undetectable		 4g8zX-4ywjA:
22.61
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.
4z07 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
 PCG  A 402 ( 4.0A)
PCG  A 402 (-4.0A)
None
None
PCG  A 402 (-2.7A)
 1.03A 4g8zX-4z07A:
undetectable		 4g8zX-4z07A:
20.70
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.
4z48 UNCHARACTERIZED
PROTEIN

(Desulfovibrio
piger) 		PF17131
(LolA_like) 		5 ILE A 147
PHE A 137
SER A  69
PRO A  93
ILE A  88
 None
 1.23A 4g8zX-4z48A:
undetectable		 4g8zX-4z48A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c8w CGMP-DEPENDENT
PROTEIN KINASE 2

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 196
ALA A 244
PHE A 231
ILE A 195
THR A 243
 PCG  A 302 ( 4.1A)
PCG  A 302 (-3.8A)
None
None
PCG  A 302 ( 2.8A)
 1.12A 4g8zX-5c8wA:
undetectable		 4g8zX-5c8wA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  48
SER A  66
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.60A 4g8zX-5dxvA:
12.4		 4g8zX-5dxvA:
24.17
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
SER A  50
TYR A 101
THR A 114
 None
 0.72A 4g8zX-5fdaA:
14.1		 4g8zX-5fdaA:
30.77
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.
5fwh ESSC

(Geobacillus
thermodenitrificans) 		PF12538
(FtsK_SpoIIIE_N) 		5 ILE A  26
LEU A  17
SER A  89
PRO A  71
ILE A  86
 None
 1.13A 4g8zX-5fwhA:
undetectable		 4g8zX-5fwhA:
22.38
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.
5g5z ABC TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF01547
(SBP_bac_1) 		5 ILE A 126
ALA A 120
LEU A 116
PRO A 164
ILE A 356
 None
 1.18A 4g8zX-5g5zA:
undetectable		 4g8zX-5g5zA:
16.84
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.
5gkx UNCHARACTERIZED
PROTEIN

(Thermococcus
onnurineus) 		PF14336
(DUF4392) 		5 ALA A  72
LEU A  41
SER A 109
PRO A 151
ILE A  46
 None
 1.15A 4g8zX-5gkxA:
undetectable		 4g8zX-5gkxA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gn5 GLYCEROL KINASE

(Trypanosoma
brucei) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ILE A 213
ALA A 141
PHE A 166
PRO A  97
THR A 193
 None
 1.27A 4g8zX-5gn5A:
undetectable		 4g8zX-5gn5A:
17.90
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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		5 ILE T2610
LEU T2451
SER T2570
PRO T2572
ILE T2613
 None
 1.25A 4g8zX-5ojsT:
undetectable		 4g8zX-5ojsT:
4.42
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  10
LEU A  23
PHE A  35
SER A  86
PRO A  88
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
None
73X  A 704 (-3.2A)
NDP  A 702 (-3.8A)
73X  A 704 (-4.0A)
None
73X  A 704 (-4.2A)
 0.76A 4g8zX-5t0lA:
23.4		 4g8zX-5t0lA:
18.92
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.
5x4t PHOTOACTIVATED
ADENYLYL CYCLASE

(Cyanobacteria) 		PF00211
(Guanylate_cyc)
PF04940
(BLUF) 		5 ILE A   7
LEU A  39
PHE A  47
ILE A  45
THR A   5
 None
FMN  A 401 ( 4.6A)
None
None
None
 1.25A 4g8zX-5x4tA:
undetectable		 4g8zX-5x4tA:
21.41
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.
5ybw ASPARTATE RACEMASE

(Scapharca
broughtonii) 		no annotation 5 ILE A  26
GLU A  54
ILE A  22
TYR A  19
THR A  29
 None
 1.29A 4g8zX-5ybwA:
undetectable		 4g8zX-5ybwA:
13.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b20 GUANINE
NUCLEOTIDE-BINDING
PROTEIN
G(I)/G(S)/G(T)
SUBUNIT BETA-1

(Bos taurus) 		no annotation 5 ILE A 229
LEU A 285
PRO A 236
ILE A 232
THR A 249
 None
 1.12A 4g8zX-6b20A:
undetectable		 4g8zX-6b20A:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c90 EXOSOME RNA HELICASE
MTR4,EXOSOME RNA
HELICASE MTR4

(Homo sapiens) 		no annotation 5 ILE A 296
LEU A 559
PHE A 281
PRO A 190
ILE A 270
 None
 1.14A 4g8zX-6c90A:
undetectable		 4g8zX-6c90A:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ILE A   6
ALA A   8
PHE A  32
SER A  50
PRO A  52
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.75A 4g8zX-6cxmA:
19.2		 4g8zX-6cxmA:
19.40
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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 5 ILE L  95
ALA L 206
SER L 245
ILE L  94
THR L 212
 None
 1.27A 4g8zX-6ehsL:
undetectable		 4g8zX-6ehsL:
16.18