SIMILAR PATTERNS OF AMINO ACIDS FOR 4P6X_I_HCYI900_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.
1aso ASCORBATE OXIDASE

(Cucurbita pepo) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 LEU A 172
GLY A 176
GLN A 177
LEU A 293
THR A 222
 None
 1.21A 4p6xI-1asoA:
undetectable		 4p6xI-1asoA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		5 LEU A 534
ASN A 537
GLY A 536
GLN A 208
ILE A 337
 OAS  A 530 ( 3.3A)
None
None
None
None
 1.15A 4p6xI-1ebvA:
undetectable		 4p6xI-1ebvA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kzh PHOSPHOFRUCTOKINASE

(Borreliella
burgdorferi) 		PF00365
(PFK) 		5 ASN A 456
GLY A 457
GLN A 197
LEU A  73
ILE A  28
 None
 1.40A 4p6xI-1kzhA:
undetectable		 4p6xI-1kzhA:
19.21
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.
1kzh PHOSPHOFRUCTOKINASE

(Borreliella
burgdorferi) 		PF00365
(PFK) 		5 LEU A 455
ASN A 456
GLY A 457
GLN A 197
ILE A  28
 None
 1.44A 4p6xI-1kzhA:
undetectable		 4p6xI-1kzhA:
19.21
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.
1p88 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		5 LEU A 182
LEU A  31
MET A 208
THR A 187
PHE A 157
 None
 1.42A 4p6xI-1p88A:
undetectable		 4p6xI-1p88A:
22.95
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.
1sfn CONSERVED
HYPOTHETICAL PROTEIN

(Deinococcus
radiodurans) 		PF05899
(Cupin_3) 		5 LEU A1038
LEU A1028
GLN A1052
ILE A1018
PHE A1023
 None
 1.25A 4p6xI-1sfnA:
undetectable		 4p6xI-1sfnA:
23.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vlv ORNITHINE
CARBAMOYLTRANSFERASE

(Thermotoga
maritima) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ASN A 149
GLY A 151
LEU A  25
ARG A  22
ILE A 268
 None
 1.27A 4p6xI-1vlvA:
undetectable		 4p6xI-1vlvA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wdw TRYPTOPHAN SYNTHASE
BETA CHAIN 1

(Pyrococcus
furiosus) 		PF00291
(PALP) 		5 GLY B 234
GLN B 200
GLN B 210
ILE B 367
PHE B 239
 None
 1.23A 4p6xI-1wdwB:
1.1		 4p6xI-1wdwB:
20.95
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.
1zov MONOMERIC SARCOSINE
OXIDASE

(Bacillus sp.
NS-129) 		PF01266
(DAO) 		5 GLY A 263
LEU A 298
MET A 302
THR A  87
PHE A 259
 None
 1.43A 4p6xI-1zovA:
undetectable		 4p6xI-1zovA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 LEU A   7
ASN A   8
GLY A 142
GLN A 171
THR A  92
 None
 1.43A 4p6xI-2ajrA:
undetectable		 4p6xI-2ajrA:
20.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 GLN A 711
MET A 742
ARG A 752
GLN A 783
MET A 787
 BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
None
BHM  A   1 (-3.6A)
 1.22A 4p6xI-2ax9A:
32.1		 4p6xI-2ax9A:
49.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 GLY A 708
GLN A 711
MET A 742
ARG A 752
MET A 787
 BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
BHM  A   1 (-3.6A)
 0.93A 4p6xI-2ax9A:
32.1		 4p6xI-2ax9A:
49.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 704
ASN A 705
GLY A 708
GLN A 711
MET A 742
ARG A 752
 BHM  A   1 (-4.0A)
BHM  A   1 (-3.6A)
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
 0.87A 4p6xI-2ax9A:
32.1		 4p6xI-2ax9A:
49.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 704
ASN A 705
GLY A 708
GLN A 711
MET A 742
PHE A 891
 BHM  A   1 (-4.0A)
BHM  A   1 (-3.6A)
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
None
 0.92A 4p6xI-2ax9A:
32.1		 4p6xI-2ax9A:
49.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 704
GLN A 711
MET A 742
ARG A 752
GLN A 783
 BHM  A   1 (-4.0A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
None
 1.36A 4p6xI-2ax9A:
32.1		 4p6xI-2ax9A:
49.22
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.
2c7i PUTATIVE LIPOATE
PROTEIN LIGASE

(Thermoplasma
acidophilum) 		PF03099
(BPL_LplA_LipB) 		5 LEU A  36
GLY A   3
LEU A 222
MET A 106
ILE A  24
 None
 1.46A 4p6xI-2c7iA:
undetectable		 4p6xI-2c7iA:
22.71
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.
2d2r UNDECAPRENYL
PYROPHOSPHATE
SYNTHASE

(Helicobacter
pylori) 		PF01255
(Prenyltransf) 		5 LEU A 206
ASN A  15
GLY A  16
LEU A  21
THR A  36
 None
 1.47A 4p6xI-2d2rA:
undetectable		 4p6xI-2d2rA:
22.42
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.
2g04 PROBABLE
FATTY-ACID-COA
RACEMASE FAR

(Mycobacterium
tuberculosis) 		PF02515
(CoA_transf_3) 		5 GLY A 222
LEU A 210
MET A 204
ILE A 242
PHE A 225
 None
 1.23A 4p6xI-2g04A:
undetectable		 4p6xI-2g04A:
21.30
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.
2g76 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Homo sapiens) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 216
ASN A 217
GLY A 214
LEU A 150
GLN A 223
 None
 1.40A 4p6xI-2g76A:
undetectable		 4p6xI-2g76A:
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.
2j1q ARGININE KINASE

(Trypanosoma
cruzi) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 ASN A 274
GLY A 276
GLN A  99
LEU A 333
GLN A 307
 None
 1.38A 4p6xI-2j1qA:
undetectable		 4p6xI-2j1qA:
19.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		8 LEU A  32
ASN A  33
GLN A  39
MET A  70
LEU A  77
ARG A  80
MET A 115
THR A 208
 1CA  A 247 (-4.0A)
1CA  A 247 (-2.9A)
1CA  A 247 (-3.1A)
1CA  A 247 ( 3.8A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
1CA  A 247 ( 3.7A)
1CA  A 247 (-3.4A)
 0.76A 4p6xI-2q3yA:
36.2		 4p6xI-2q3yA:
63.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		8 LEU A  32
ASN A  33
GLN A  39
MET A  70
LEU A  77
ARG A  80
THR A 208
PHE A 219
 1CA  A 247 (-4.0A)
1CA  A 247 (-2.9A)
1CA  A 247 (-3.1A)
1CA  A 247 ( 3.8A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
1CA  A 247 (-3.4A)
1CA  A 247 (-4.5A)
 0.60A 4p6xI-2q3yA:
36.2		 4p6xI-2q3yA:
63.67
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.
2rgz HEME OXYGENASE 2

(Homo sapiens) 		PF01126
(Heme_oxygenase) 		5 MET A 158
LEU A  97
MET A 206
THR A  41
PHE A 227
 None
None
None
None
HEM  A 300 (-4.1A)
 1.47A 4p6xI-2rgzA:
undetectable		 4p6xI-2rgzA:
22.58
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.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		5 GLY A  19
MET A  82
LEU A  88
ILE A  25
PHE A  23
 None
 1.30A 4p6xI-2ri6A:
undetectable		 4p6xI-2ri6A:
22.33
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.
2wvl MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Thermus
thermophilus) 		PF09488
(Osmo_MPGsynth) 		5 LEU A 229
GLN A 231
LEU A 327
ARG A 224
GLN A 273
 None
 1.39A 4p6xI-2wvlA:
undetectable		 4p6xI-2wvlA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x0q ALCALIGIN
BIOSYNTHESIS PROTEIN

(Bordetella
bronchiseptica) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		5 MET A 467
LEU A 455
MET A 395
THR A 502
ILE A 503
 None
 1.21A 4p6xI-2x0qA:
undetectable		 4p6xI-2x0qA:
17.18
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.
3bw2 2-NITROPROPANE
DIOXYGENASE

(Streptomyces
ansochromogenes) 		PF03060
(NMO) 		5 LEU A 149
GLN A 235
LEU A  37
ILE A 138
PHE A 128
 None
FMN  A 370 (-4.0A)
None
None
None
 1.40A 4p6xI-3bw2A:
undetectable		 4p6xI-3bw2A:
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.
3c0k UPF0064 PROTEIN YCCW

(Escherichia
coli) 		PF10672
(Methyltrans_SAM) 		5 LEU A 124
GLN A  87
LEU A  83
THR A 202
PHE A 120
 None
 1.45A 4p6xI-3c0kA:
undetectable		 4p6xI-3c0kA:
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.
3c3v ARACHIN ARAH3
ISOFORM

(Arachis
hypogaea) 		PF00190
(Cupin_1) 		5 LEU A 480
ASN A 479
GLY A 482
ILE A 477
PHE A 517
 None
 1.47A 4p6xI-3c3vA:
undetectable		 4p6xI-3c3vA:
18.83
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.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 417
LEU A 436
MET A 439
ILE A 218
PHE A 214
 None
 1.31A 4p6xI-3d5fA:
20.9		 4p6xI-3d5fA:
21.21
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.
3dkh LACCASE-1

(Melanocarpus
albomyces) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 LEU A 230
ASN A 231
GLY A 270
MET A  65
PHE A 238
 None
 1.32A 4p6xI-3dkhA:
undetectable		 4p6xI-3dkhA:
16.90
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.
3f81 DUAL SPECIFICITY
PROTEIN PHOSPHATASE
3

(Homo sapiens) 		PF00782
(DSPc) 		5 LEU A 177
ARG A 176
GLN A 143
THR A  34
ILE A  37
 None
 1.44A 4p6xI-3f81A:
undetectable		 4p6xI-3f81A:
21.24
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.
3faw RETICULOCYTE BINDING
PROTEIN

(Streptococcus
agalactiae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 GLY A 891
LEU A 869
MET A 952
THR A1068
ILE A1075
 None
 1.45A 4p6xI-3fawA:
undetectable		 4p6xI-3fawA:
16.95
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.
3glb HTH-TYPE
TRANSCRIPTIONAL
REGULATOR CATM

(Acinetobacter
sp. ADP1) 		PF03466
(LysR_substrate) 		5 LEU A 271
GLY A 145
GLN A 131
LEU A 135
ILE A 302
 None
 1.37A 4p6xI-3glbA:
undetectable		 4p6xI-3glbA:
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.
3glg DNA POLYMERASE III
SUBUNIT DELTA

(Escherichia
coli) 		PF06144
(DNA_pol3_delta)
PF14840
(DNA_pol3_delt_C) 		5 LEU A  13
ASN A  14
GLY A  16
LEU A 109
GLN A  40
 None
 0.86A 4p6xI-3glgA:
undetectable		 4p6xI-3glgA:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ho8 PYRUVATE CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLY A 540
GLN A 543
GLN A 640
THR A 566
ILE A 793
 None
 1.29A 4p6xI-3ho8A:
undetectable		 4p6xI-3ho8A:
11.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 GLY A 722
GLN A 725
MET A 756
LEU A 763
ARG A 766
MET A 801
 WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.0A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.2A)
 0.90A 4p6xI-3kbaA:
34.7		 4p6xI-3kbaA:
54.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 LEU A 718
ASN A 719
GLY A 722
MET A 756
LEU A 763
ARG A 766
MET A 801
THR A 894
PHE A 905
 WOW  A   1 (-4.2A)
WOW  A   1 (-3.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.0A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.2A)
WOW  A   1 (-3.9A)
WOW  A   1 (-4.6A)
 0.81A 4p6xI-3kbaA:
34.7		 4p6xI-3kbaA:
54.30
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 LEU A 417
GLY A 420
LEU A 450
MET A 261
THR A 274
 None
 1.36A 4p6xI-3kjrA:
undetectable		 4p6xI-3kjrA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ksx NITRATE TRANSPORT
PROTEIN

(Xanthomonas
citri) 		PF09084
(NMT1) 		5 LEU A  50
GLN A 237
LEU A 241
ARG A 244
ILE A  60
 None
 1.41A 4p6xI-3ksxA:
undetectable		 4p6xI-3ksxA:
19.70
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.
3nm1 THIAMINE
BIOSYNTHETIC
BIFUNCTIONAL ENZYME

([Candida]
glabrata) 		PF02110
(HK)
PF02581
(TMP-TENI) 		5 LEU A 485
ASN A 484
GLY A 240
ARG A 335
THR A 248
 None
 1.44A 4p6xI-3nm1A:
undetectable		 4p6xI-3nm1A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nm1 THIAMINE
BIOSYNTHETIC
BIFUNCTIONAL ENZYME

([Candida]
glabrata) 		PF02110
(HK)
PF02581
(TMP-TENI) 		5 LEU A 485
ASN A 484
GLY A 483
ARG A 335
THR A 248
 None
 1.26A 4p6xI-3nm1A:
undetectable		 4p6xI-3nm1A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oc4 OXIDOREDUCTASE,
PYRIDINE
NUCLEOTIDE-DISULFIDE
FAMILY

(Enterococcus
faecalis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 152
LEU A 177
THR A 116
ILE A 118
PHE A 236
 None
 1.32A 4p6xI-3oc4A:
undetectable		 4p6xI-3oc4A:
20.95
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.
3p9u TETX2 PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01494
(FAD_binding_3) 		5 LEU A 166
GLY A 169
LEU A 139
THR A 179
PHE A 292
 None
FAD  A 401 (-3.6A)
FAD  A 401 (-4.7A)
None
None
 1.47A 4p6xI-3p9uA:
undetectable		 4p6xI-3p9uA:
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.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		5 LEU A 434
GLY A 276
LEU A 346
MET A 348
ILE A 417
 None
 1.31A 4p6xI-3pdiA:
undetectable		 4p6xI-3pdiA:
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.
3qnb OXACILLINASE

(Escherichia
coli) 		PF00905
(Transpeptidase) 		5 GLY A 110
GLN A 113
LEU A 192
ILE A 123
PHE A  90
 None
 1.19A 4p6xI-3qnbA:
undetectable		 4p6xI-3qnbA:
21.27
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.
3qre ENOYL-COA HYDRATASE,
ECHA12_1

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		5 LEU A 173
GLY A 177
THR A 126
ILE A 157
PHE A 146
 None
 1.17A 4p6xI-3qreA:
undetectable		 4p6xI-3qreA:
21.90
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.
3qz1 STEROID
21-HYDROXYLASE

(Bos taurus) 		PF00067
(p450) 		5 LEU A 176
GLY A 179
MET A 259
ILE A 289
PHE A 189
 None
 1.25A 4p6xI-3qz1A:
2.3		 4p6xI-3qz1A:
19.21
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.
3rao PUTATIVE
LUCIFERASE-LIKE
MONOOXYGENASE

(Bacillus cereus) 		PF00296
(Bac_luciferase) 		5 LEU A 249
GLY A 299
GLN A 303
GLN A 280
THR A 256
 None
None
SO4  A 354 (-4.6A)
None
None
 1.24A 4p6xI-3raoA:
undetectable		 4p6xI-3raoA:
21.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		6 ASN A  33
GLY A  37
GLN A  39
MET A  70
THR A 208
PHE A 219
 1CA  A 249 (-3.0A)
None
1CA  A 249 (-3.0A)
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.2A)
1CA  A 249 (-4.3A)
 1.15A 4p6xI-3ry9A:
36.1		 4p6xI-3ry9A:
71.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		10 LEU A  32
ASN A  33
GLY A  36
GLN A  39
MET A  70
LEU A  77
ARG A  80
MET A 115
THR A 208
PHE A 219
 1CA  A 249 (-3.9A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 3.8A)
1CA  A 249 ( 4.1A)
1CA  A 249 (-3.5A)
1CA  A 249 (-3.6A)
1CA  A 249 (-3.2A)
1CA  A 249 (-4.3A)
 0.76A 4p6xI-3ry9A:
36.1		 4p6xI-3ry9A:
71.88
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.
3s5n 4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00701
(DHDPS) 		5 LEU A 220
LEU A 107
MET A 134
ILE A 205
PHE A 226
 None
 1.41A 4p6xI-3s5nA:
undetectable		 4p6xI-3s5nA:
20.50
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 LEU A 514
GLY A 517
LEU A 547
MET A 358
THR A 371
 None
UMP  A 611 (-3.3A)
None
None
None
 1.31A 4p6xI-3um6A:
undetectable		 4p6xI-3um6A:
17.00
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.
3vgf MALTO-OLIGOSYLTREHAL
OSE TREHALOHYDROLASE

(Sulfolobus
solfataricus) 		PF00128
(Alpha-amylase)
PF09071
(Alpha-amyl_C) 		5 GLY A 116
LEU A 465
MET A 415
ILE A 141
PHE A 118
 GOL  A1101 (-3.7A)
None
None
None
None
 1.29A 4p6xI-3vgfA:
undetectable		 4p6xI-3vgfA:
18.51
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.
3wwy D-LACTATE
DEHYDROGENASE

(Fusobacterium
nucleatum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 206
ASN A 207
GLY A 236
LEU A 260
ILE A 151
 None
 0.77A 4p6xI-3wwyA:
undetectable		 4p6xI-3wwyA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4am3 POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Caulobacter
vibrioides) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 LEU A 202
ASN A 206
GLY A 204
LEU A 507
MET A 509
 None
 1.04A 4p6xI-4am3A:
undetectable		 4p6xI-4am3A:
16.52
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.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		5 GLY B 293
LEU B 246
ARG A 317
GLN B 228
THR A 413
 None
 1.32A 4p6xI-4cakB:
undetectable		 4p6xI-4cakB:
16.23
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.
4fn7 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		5 LEU A  79
GLY A  82
GLN A  31
ILE A 137
PHE A 110
 None
 1.47A 4p6xI-4fn7A:
undetectable		 4p6xI-4fn7A:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i2w PROTEIN UNC-45

(Caenorhabditis
elegans) 		PF11701
(UNC45-central) 		5 GLY A 257
LEU A 297
MET A 300
ILE A 195
PHE A 252
 None
 1.42A 4p6xI-4i2wA:
undetectable		 4p6xI-4i2wA:
14.08
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.
4irl MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NOVEL PROTEIN
SIMILAR TO
VERTEBRATE GUANYLATE
BINDING PROTEIN
FAMILY

(Danio rerio;
Escherichia
coli) 		PF00619
(CARD)
PF13416
(SBP_bac_8) 		5 LEU A  76
GLY A  70
ARG A 383
ILE A  61
PHE A  68
 None
 1.42A 4p6xI-4irlA:
undetectable		 4p6xI-4irlA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kqk NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Salmonella
enterica) 		PF02277
(DBI_PRT) 		5 LEU A 169
GLY A  59
LEU A  46
MET A  49
THR A 159
 None
 1.46A 4p6xI-4kqkA:
undetectable		 4p6xI-4kqkA:
22.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ASN A 564
GLY A 567
LEU A 627
THR A 739
PHE A 749
 MOF  A 801 (-3.0A)
MOF  A 801 (-3.4A)
None
MOF  A 801 (-3.9A)
MOF  A 801 (-4.4A)
 1.44A 4p6xI-4p6wA:
40.4		 4p6xI-4p6wA:
98.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 ASN A 564
GLY A 568
GLN A 570
MET A 601
THR A 739
ILE A 747
PHE A 749
 MOF  A 801 (-3.0A)
None
MOF  A 801 (-2.9A)
MOF  A 801 (-3.7A)
MOF  A 801 (-3.9A)
MOF  A 801 ( 4.4A)
MOF  A 801 (-4.4A)
 1.14A 4p6xI-4p6wA:
40.4		 4p6xI-4p6wA:
98.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 LEU A 563
ASN A 564
GLY A 567
GLN A 570
MET A 601
LEU A 608
ARG A 611
MET A 646
THR A 739
ILE A 747
PHE A 749
 MOF  A 801 (-3.9A)
MOF  A 801 (-3.0A)
MOF  A 801 (-3.4A)
MOF  A 801 (-2.9A)
MOF  A 801 (-3.7A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-4.2A)
MOF  A 801 (-4.4A)
MOF  A 801 (-3.9A)
MOF  A 801 ( 4.4A)
MOF  A 801 (-4.4A)
 0.43A 4p6xI-4p6wA:
40.4		 4p6xI-4p6wA:
98.41
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.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		5 ASN A 196
GLY A 194
GLN A 193
LEU A 353
THR A 579
 None
None
None
IBP  A 601 ( 4.7A)
None
 1.45A 4p6xI-4ph9A:
undetectable		 4p6xI-4ph9A:
19.82
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.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		5 LEU A 535
ASN A 538
GLY A 537
GLN A 209
ILE A 338
 EDO  A 616 ( 4.4A)
None
None
None
None
 1.11A 4p6xI-4ph9A:
undetectable		 4p6xI-4ph9A:
19.82
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.
4u8d SORCIN

(Homo sapiens) 		PF13405
(EF-hand_6)
PF13833
(EF-hand_8) 		5 LEU A  58
GLY A  62
LEU A  35
ILE A 160
PHE A 156
 None
 1.27A 4p6xI-4u8dA:
undetectable		 4p6xI-4u8dA:
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.
4ud8 FAD-BINDING AND BBE
DOMAIN-CONTAINING
PROTEIN

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 LEU A 393
GLY A 395
THR A 408
ILE A 295
PHE A 400
 None
 0.76A 4p6xI-4ud8A:
undetectable		 4p6xI-4ud8A:
20.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ASN A 770
GLY A 774
GLN A 776
THR A 945
PHE A 956
 CV7  A1987 (-3.1A)
None
CV7  A1987 (-3.0A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.7A)
 1.34A 4p6xI-4udbA:
34.5		 4p6xI-4udbA:
54.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 LEU A 769
ASN A 770
GLN A 776
MET A 807
LEU A 814
ARG A 817
MET A 852
THR A 945
PHE A 956
 CV7  A1987 (-4.1A)
CV7  A1987 (-3.1A)
CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.7A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.7A)
 0.67A 4p6xI-4udbA:
34.5		 4p6xI-4udbA:
54.04
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.
4wmh HEME OXYGENASE 2

(Homo sapiens) 		PF01126
(Heme_oxygenase) 		5 MET A 158
LEU A  97
MET A 206
THR A  41
PHE A 227
 None
 1.39A 4p6xI-4wmhA:
undetectable		 4p6xI-4wmhA:
21.67
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.
4zke SUPERKILLER PROTEIN
7

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU) 		5 LEU A 676
ASN A 683
LEU A 373
ILE A 710
PHE A 715
 LEU  A 676 ( 0.6A)
ASN  A 683 ( 0.6A)
LEU  A 373 ( 0.6A)
ILE  A 710 ( 0.7A)
PHE  A 715 ( 1.3A)
 1.47A 4p6xI-4zkeA:
undetectable		 4p6xI-4zkeA:
21.21
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.
5az0 UNCHARACTERIZED
PROTEIN

(Bombyx mori) 		PF00248
(Aldo_ket_red) 		5 MET A 248
LEU A 243
MET A 229
ILE A 290
PHE A 293
 None
 1.26A 4p6xI-5az0A:
undetectable		 4p6xI-5az0A:
19.51
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.
5bo6 SIA-ALPHA-2,3-GAL-BE
TA-1,4-GLCNAC-R:ALPH
A
2,8-SIALYLTRANSFERAS
E

(Homo sapiens) 		PF00777
(Glyco_transf_29) 		5 GLY A 302
LEU A 299
GLN A 100
THR A 372
ILE A 316
 CDP  A 411 (-3.3A)
None
None
None
None
 1.39A 4p6xI-5bo6A:
undetectable		 4p6xI-5bo6A:
21.24
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.
5eow 6-HYDROXYNICOTINATE
3-MONOOXYGENASE

(Pseudomonas
putida) 		PF01494
(FAD_binding_3) 		5 LEU A  23
GLY A  27
LEU A 326
THR A 123
ILE A 119
 None
 1.10A 4p6xI-5eowA:
undetectable		 4p6xI-5eowA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ex6 CYTOCHROME P450

(Streptomyces
toyocaensis) 		no annotation 5 LEU C  88
ASN C  87
GLY C  86
ARG C  98
THR C 287
 HEM  C 502 (-3.7A)
None
None
None
HEM  C 502 (-3.5A)
 1.43A 4p6xI-5ex6C:
undetectable		 4p6xI-5ex6C:
19.39
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.
5g6r IMINE REDUCTASE

(Aspergillus
oryzae) 		PF03446
(NAD_binding_2) 		5 ASN A  93
GLY A  94
GLN A  98
LEU A 102
ILE A 118
 NDP  A1000 (-3.5A)
None
None
None
NDP  A1000 (-4.3A)
 1.45A 4p6xI-5g6rA:
undetectable		 4p6xI-5g6rA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzw MALTOSE-BINDING
PERIPLASMIC
PROTEIN,ENDOGLIN

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8) 		5 LEU A 130
GLY A 124
GLN A 127
ILE A 115
PHE A 122
 None
 1.43A 4p6xI-5hzwA:
undetectable		 4p6xI-5hzwA:
15.44
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.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		5 LEU A 534
ASN A 537
GLY A 536
GLN A 208
ILE A 337
 None
 1.10A 4p6xI-5ikrA:
undetectable		 4p6xI-5ikrA:
17.49
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.
5kin TRYPTOPHAN SYNTHASE
BETA CHAIN

(Streptococcus
pneumoniae) 		PF00291
(PALP) 		5 GLY B 244
GLN B 209
GLN B 219
ILE B 377
PHE B 249
 None
LLP  B  91 ( 4.6A)
None
None
None
 1.33A 4p6xI-5kinB:
undetectable		 4p6xI-5kinB:
19.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 5 ASN A 770
GLY A 774
GLN A 776
THR A 945
PHE A 956
 ECV  A1101 (-3.1A)
None
ECV  A1101 (-2.9A)
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
 1.29A 4p6xI-5mwpA:
34.9		 4p6xI-5mwpA:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 5 GLN A 776
MET A 807
LEU A 814
ARG A 817
MET A 852
 ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.7A)
 1.31A 4p6xI-5mwpA:
34.9		 4p6xI-5mwpA:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 8 LEU A 769
ASN A 770
GLN A 776
MET A 807
LEU A 814
ARG A 817
THR A 945
PHE A 956
 ECV  A1101 (-4.7A)
ECV  A1101 (-3.1A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
 0.57A 4p6xI-5mwpA:
34.9		 4p6xI-5mwpA:
45.00
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.
5n6c D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Homo sapiens) 		no annotation 5 LEU A 217
ASN A 218
GLY A 215
LEU A 151
GLN A 224
 None
 1.43A 4p6xI-5n6cA:
undetectable		 4p6xI-5n6cA:
16.31
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.
5nzp D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Homo sapiens) 		no annotation 5 LEU B 217
ASN B 218
GLY B 215
LEU B 151
GLN B 224
 None
None
None
9EW  B 301 ( 4.8A)
None
 1.30A 4p6xI-5nzpB:
undetectable		 4p6xI-5nzpB:
22.14
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.
5ojl IMINE REDUCTASE

(Aspergillus
terreus) 		no annotation 5 ASN A  98
GLY A  99
GLN A 103
LEU A 107
ILE A 123
 TXP  A 302 (-3.3A)
None
None
None
TXP  A 302 (-4.3A)
 1.48A 4p6xI-5ojlA:
undetectable		 4p6xI-5ojlA:
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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		5 LEU T2973
GLY T2939
GLN T2924
GLN T2910
ILE T2943
 None
 1.26A 4p6xI-5ojsT:
undetectable		 4p6xI-5ojsT:
5.80
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.
5tov ADENOSYLHOMOCYSTEINA
SE

(Thermotoga
maritima) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LEU A 279
GLY A 325
LEU A 294
THR A 190
ILE A 186
 None
 1.44A 4p6xI-5tovA:
undetectable		 4p6xI-5tovA:
23.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 7 LEU A 559
ASN A 560
GLY A 563
GLN A 566
LEU A 604
ARG A 607
GLN A 638
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 (-4.6A)
 0.86A 4p6xI-5uc1A:
26.8		 4p6xI-5uc1A:
96.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 8 LEU A 559
ASN A 560
GLY A 563
GLN A 566
MET A 597
LEU A 604
ARG A 607
MET A 642
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.83A 4p6xI-5uc1A:
26.8		 4p6xI-5uc1A:
96.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		5 ASN A  33
GLY A  36
LEU A  96
THR A 208
PHE A 218
 1TA  A 301 (-3.0A)
1TA  A 301 (-2.9A)
None
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 1.44A 4p6xI-5ufsA:
38.7		 4p6xI-5ufsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		6 ASN A  33
GLY A  37
GLN A  39
MET A  70
THR A 208
PHE A 218
 1TA  A 301 (-3.0A)
None
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 1.12A 4p6xI-5ufsA:
38.7		 4p6xI-5ufsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		6 GLN A  39
MET A  70
LEU A  77
ARG A  80
GLN A 111
MET A 115
 1TA  A 301 (-3.0A)
1TA  A 301 ( 3.1A)
1TA  A 301 ( 3.4A)
1TA  A 301 (-3.5A)
None
1TA  A 301 ( 2.8A)
 1.17A 4p6xI-5ufsA:
38.7		 4p6xI-5ufsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		10 LEU A  32
ASN A  33
GLY A  36
GLN A  39
MET A  70
LEU A  77
ARG A  80
MET A 115
THR A 208
PHE A 218
 1TA  A 301 (-3.5A)
1TA  A 301 (-3.0A)
1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.1A)
1TA  A 301 ( 3.4A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 2.8A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 0.45A 4p6xI-5ufsA:
38.7		 4p6xI-5ufsA:
76.77
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.
5yk2 PROBABLE CONSERVED
ATP-BINDING PROTEIN
ABC TRANSPORTER

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A 268
GLY A 266
LEU A 431
ILE A 302
PHE A 292
 None
 1.27A 4p6xI-5yk2A:
undetectable		 4p6xI-5yk2A:
16.54
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.
6an0 HISTIDINOL
DEHYDROGENASE

(Elizabethkingia
anophelis) 		PF00815
(Histidinol_dh) 		5 LEU A 173
ASN A 172
GLY A 175
LEU A 137
ILE A  71
 None
 1.37A 4p6xI-6an0A:
undetectable		 4p6xI-6an0A:
18.16
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.
6aom ENDOPLASMIN

(Canis lupus) 		no annotation 5 GLY A 193
LEU A  93
THR A 171
ILE A 166
PHE A 195
 None
 1.39A 4p6xI-6aomA:
undetectable		 4p6xI-6aomA:
23.64
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.
6au8 GOLGI TO ER TRAFFIC
PROTEIN 4 HOMOLOG
LARGE PROLINE-RICH
PROTEIN BAG6

(Homo sapiens) 		no annotation 5 GLN C1023
LEU A 266
THR A 220
ILE A 226
PHE A 232
 None
 1.46A 4p6xI-6au8C:
undetectable		 4p6xI-6au8C:
13.86
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.
6e85 -

(-) 		no annotation 5 GLY A 288
ARG A 182
THR A 107
ILE A 118
PHE A 291
 None
 1.13A 4p6xI-6e85A:
undetectable		 4p6xI-6e85A:
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.
6fsh OXYB PROTEIN

(Actinoplanes
teichomyceticus) 		no annotation 5 LEU A  88
ASN A  87
GLY A  86
ARG A  98
THR A 287
 HEM  A 401 (-3.3A)
None
None
None
HEM  A 401 (-3.8A)
 1.36A 4p6xI-6fshA:
undetectable		 4p6xI-6fshA:
15.42