SIMILAR PATTERNS OF AMINO ACIDS FOR 2OAX_A_SNLA1001_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.
1f3l PROTEIN ARGININE
METHYLTRANSFERASE
PRMT3

(Rattus
norvegicus) 		PF06325
(PrmA) 		5 LEU A 527
LEU A 429
LEU A 332
THR A 480
PHE A 482
 None
 1.29A 2oaxA-1f3lA:
undetectable		 2oaxA-1f3lA:
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.
1iuq GLYCEROL-3-PHOSPHATE
ACYLTRANSFERASE

(Cucurbita
moschata) 		PF01553
(Acyltransferase)
PF14829
(GPAT_N) 		6 LEU A 135
GLN A 140
LEU A 345
LEU A 151
THR A 163
PHE A 165
 None
 1.44A 2oaxA-1iuqA:
0.8		 2oaxA-1iuqA:
21.58
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.
1jr7 HYPOTHETICAL 37.4
KDA PROTEIN IN
ILEY-GABD INTERGENIC
REGION

(Escherichia
coli) 		PF08943
(CsiD) 		5 LEU A  95
LEU A 174
GLN A 310
LEU A 121
THR A  86
 None
 1.26A 2oaxA-1jr7A:
undetectable		 2oaxA-1jr7A:
21.92
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.
1m72 CASPASE-1

(Spodoptera
frugiperda) 		PF00656
(Peptidase_C14) 		5 LEU A 154
LEU A 172
MET A 233
LEU A 134
PHE A 214
 None
 1.35A 2oaxA-1m72A:
undetectable		 2oaxA-1m72A:
25.00
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.
1p49 STERYL-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		5 LEU A 164
GLN A 252
LEU A 260
ARG A 263
PHE A 237
 None
 1.37A 2oaxA-1p49A:
undetectable		 2oaxA-1p49A:
20.71
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.
1wxd SHIKIMATE
5-DEHYDROGENASE

(Thermus
thermophilus) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 LEU A 242
LEU A 246
MET A 253
LEU A  24
THR A  99
 None
 1.20A 2oaxA-1wxdA:
0.0		 2oaxA-1wxdA:
21.51
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.
1ybf AMP NUCLEOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01048
(PNP_UDP_1) 		5 LEU A 206
LEU A 238
LEU A 139
THR A 188
PHE A  93
 None
 1.42A 2oaxA-1ybfA:
undetectable		 2oaxA-1ybfA:
21.69
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) 		9 LEU A 701
ASN A 705
LEU A 707
GLN A 711
MET A 742
ARG A 752
MET A 780
LEU A 873
PHE A 891
 None
BHM  A   1 (-3.6A)
BHM  A   1 ( 4.2A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
BHM  A   1 ( 4.3A)
BHM  A   1 (-4.4A)
None
 0.77A 2oaxA-2ax9A:
35.2		 2oaxA-2ax9A:
51.36
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.
2bmb FOLIC ACID SYNTHESIS
PROTEIN FOL1

(Saccharomyces
cerevisiae) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		5 LEU A 633
LEU A 510
ARG A 519
MET A 840
LEU A 753
 None
 1.45A 2oaxA-2bmbA:
undetectable		 2oaxA-2bmbA:
18.12
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.
2o78 PUTATIVE HISTIDINE
AMMONIA-LYASE

(Rhodobacter
sphaeroides) 		PF00221
(Lyase_aromatic) 		5 LEU A 465
LEU A 500
ARG A 504
LEU A 473
CYH A 236
 None
 1.07A 2oaxA-2o78A:
undetectable		 2oaxA-2o78A:
16.70
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) 		5 LEU A  28
LEU A  35
GLN A  39
LEU A  77
ARG A  80
 None
1CA  A 247 ( 4.4A)
1CA  A 247 (-3.1A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
 1.17A 2oaxA-2q3yA:
36.8		 2oaxA-2q3yA:
72.66
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) 		12 LEU A  29
ASN A  33
LEU A  35
GLN A  39
MET A  70
LEU A  77
ARG A  80
MET A 108
LEU A 201
CYH A 205
THR A 208
PHE A 219
 1CA  A 247 ( 3.6A)
1CA  A 247 (-2.9A)
1CA  A 247 ( 4.4A)
1CA  A 247 (-3.1A)
1CA  A 247 ( 3.8A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
1CA  A 247 (-3.9A)
1CA  A 247 ( 4.2A)
1CA  A 247 (-4.0A)
1CA  A 247 (-3.4A)
1CA  A 247 (-4.5A)
 0.47A 2oaxA-2q3yA:
36.8		 2oaxA-2q3yA:
72.66
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) 		6 LEU A  29
ASN A  33
LEU A  90
CYH A 205
THR A 208
PHE A 219
 1CA  A 247 ( 3.6A)
1CA  A 247 (-2.9A)
None
1CA  A 247 (-4.0A)
1CA  A 247 (-3.4A)
1CA  A 247 (-4.5A)
 1.13A 2oaxA-2q3yA:
36.8		 2oaxA-2q3yA:
72.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qlv CARBON CATABOLITE
DEREPRESSING PROTEIN
KINASE
PROTEIN SIP2

(Saccharomyces
cerevisiae) 		PF04739
(AMPKBI)
PF16561
(AMPK1_CBM)
PF16579
(AdenylateSensor) 		5 LEU B 381
LEU A 618
LEU A 526
LEU A 626
THR B 383
 None
 1.43A 2oaxA-2qlvB:
undetectable		 2oaxA-2qlvB:
21.91
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.
2ras TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Novosphingobium
aromaticivorans) 		PF00440
(TetR_N) 		5 LEU A 134
ASN A 160
LEU A 158
MET A  87
CYH A 167
 None
EDO  A 216 ( 4.0A)
None
None
EDO  A 216 (-4.3A)
 1.40A 2oaxA-2rasA:
undetectable		 2oaxA-2rasA:
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.
2v9t SLIT HOMOLOG 2
PROTEIN N-PRODUCT

(Homo sapiens) 		PF01462
(LRRNT)
PF01463
(LRRCT)
PF13855
(LRR_8) 		5 LEU B 387
LEU B 367
LEU B 353
LEU B 398
THR B 415
 None
 1.10A 2oaxA-2v9tB:
undetectable		 2oaxA-2v9tB:
22.73
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.
3bn3 INTERCELLULAR
ADHESION MOLECULE 5

(Homo sapiens) 		PF03921
(ICAM_N) 		5 LEU B  40
LEU B  52
ARG B  47
LEU B   7
THR B  64
 None
 1.30A 2oaxA-3bn3B:
undetectable		 2oaxA-3bn3B:
18.94
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.
3fjv UNCHARACTERIZED
NOVEL PROTEIN

(Burkholderia
pseudomallei) 		PF12007
(DUF3501) 		5 LEU A  43
LEU A 146
LEU A 116
LEU A 188
THR A  49
 None
 1.46A 2oaxA-3fjvA:
undetectable		 2oaxA-3fjvA:
20.24
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.
3im8 MALONYL ACYL CARRIER
PROTEIN TRANSACYLASE

(Streptococcus
pneumoniae) 		PF00698
(Acyl_transf_1) 		5 LEU A  55
ASN A  56
LEU A  91
ARG A 115
MET A  18
 None
None
None
ACT  A 500 (-3.3A)
None
 1.23A 2oaxA-3im8A:
undetectable		 2oaxA-3im8A:
22.96
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) 		11 LEU A 715
ASN A 719
LEU A 721
GLN A 725
MET A 756
LEU A 763
ARG A 766
LEU A 887
CYH A 891
THR A 894
PHE A 905
 WOW  A   1 (-3.9A)
WOW  A   1 (-3.3A)
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 (-4.0A)
WOW  A   1 (-3.5A)
WOW  A   1 (-3.9A)
WOW  A   1 (-4.6A)
 0.68A 2oaxA-3kbaA:
34.8		 2oaxA-3kbaA:
54.69
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 LEU A 715
ASN A 719
LEU A 776
CYH A 891
THR A 894
PHE A 905
 WOW  A   1 (-3.9A)
WOW  A   1 (-3.3A)
None
WOW  A   1 (-3.5A)
WOW  A   1 (-3.9A)
WOW  A   1 (-4.6A)
 1.27A 2oaxA-3kbaA:
34.8		 2oaxA-3kbaA:
54.69
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.
3mqz UNCHARACTERIZED
CONSERVED PROTEIN
DUF1054

(Leptospirillum
rubarum) 		PF06335
(DUF1054) 		5 LEU A 105
LEU A  44
LEU A  83
THR A 200
PHE A 183
 None
None
None
GOL  A 218 (-2.6A)
GOL  A 218 (-3.3A)
 1.39A 2oaxA-3mqzA:
undetectable		 2oaxA-3mqzA:
21.76
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.
3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 ASN A 389
MET A1009
LEU A 562
ARG A 667
THR A 481
 None
 1.34A 2oaxA-3ne5A:
undetectable		 2oaxA-3ne5A:
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.
3ptw MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Clostridium
perfringens) 		PF00698
(Acyl_transf_1) 		5 LEU A  56
ASN A  57
LEU A  92
ARG A 116
MET A  18
 None
 1.23A 2oaxA-3ptwA:
undetectable		 2oaxA-3ptwA:
20.71
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.
3qka ENOYL-COA HYDRATASE,
ECHA5

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		5 LEU A 113
MET A  85
LEU A 137
CYH A  61
THR A  59
 None
 1.45A 2oaxA-3qkaA:
undetectable		 2oaxA-3qkaA:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r97 MALONYL COA-ACP
TRANSACYLASE

(Xanthomonas
oryzae) 		PF00698
(Acyl_transf_1) 		5 LEU A  58
ASN A  59
LEU A  95
ARG A 119
MET A  20
 None
 1.35A 2oaxA-3r97A:
undetectable		 2oaxA-3r97A:
21.38
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.
3r9q ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacteroides
abscessus) 		PF00378
(ECH_1) 		5 LEU A 117
MET A  89
LEU A 141
CYH A  65
THR A  63
 None
 1.44A 2oaxA-3r9qA:
undetectable		 2oaxA-3r9qA:
20.86
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) 		5 LEU A  28
LEU A  35
GLN A  39
LEU A  77
ARG A  80
 None
1CA  A 249 ( 4.4A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 4.1A)
1CA  A 249 (-3.5A)
 1.21A 2oaxA-3ry9A:
36.8		 2oaxA-3ry9A:
69.84
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) 		12 LEU A  29
ASN A  33
LEU A  35
GLN A  39
MET A  70
LEU A  77
ARG A  80
MET A 108
LEU A 201
CYH A 205
THR A 208
PHE A 219
 1CA  A 249 ( 3.8A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 4.4A)
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 ( 4.2A)
1CA  A 249 (-4.0A)
1CA  A 249 (-3.2A)
1CA  A 249 (-4.3A)
 0.42A 2oaxA-3ry9A:
36.8		 2oaxA-3ry9A:
69.84
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 LEU A  29
ASN A  33
LEU A  90
CYH A 205
THR A 208
PHE A 219
 1CA  A 249 ( 3.8A)
1CA  A 249 (-3.0A)
None
1CA  A 249 (-4.0A)
1CA  A 249 (-3.2A)
1CA  A 249 (-4.3A)
 1.16A 2oaxA-3ry9A:
36.8		 2oaxA-3ry9A:
69.84
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 LEU A 138
MET A 161
LEU A 155
ARG A 188
LEU A 114
 None
 1.48A 2oaxA-3rysA:
undetectable		 2oaxA-3rysA:
22.64
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.
3s4w FANCONI ANEMIA GROUP
D2 PROTEIN HOMOLOG

(Mus musculus) 		PF14631
(FancD2) 		5 LEU B 173
ASN B 176
LEU B 178
LEU B 197
LEU B 205
 None
 1.48A 2oaxA-3s4wB:
undetectable		 2oaxA-3s4wB:
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.
3tr6 O-METHYLTRANSFERASE

(Coxiella
burnetii) 		PF01596
(Methyltransf_3) 		5 LEU A 101
LEU A 111
LEU A  27
THR A  34
PHE A  71
 None
None
None
None
SAH  A 224 (-4.8A)
 1.45A 2oaxA-3tr6A:
undetectable		 2oaxA-3tr6A:
20.00
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.
3tzt GLYCOSYL TRANSFERASE
FAMILY 8

(Anaerococcus
prevotii) 		PF01501
(Glyco_transf_8) 		5 LEU A   6
LEU A 160
LEU A 114
LEU A  20
THR A   8
 None
 1.50A 2oaxA-3tztA:
undetectable		 2oaxA-3tztA:
21.73
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.
3x3y PHENYLETHYLAMINE
OXIDASE

(Arthrobacter
globiformis) 		PF01179
(Cu_amine_oxid)
PF02728
(Cu_amine_oxidN3) 		5 LEU A 303
GLN A 306
LEU A 101
LEU A 153
PHE A 297
 None
 1.49A 2oaxA-3x3yA:
undetectable		 2oaxA-3x3yA:
16.91
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.
4aov ISOCITRATE
DEHYDROGENASE [NADP]

(Desulfotalea
psychrophila) 		PF00180
(Iso_dh) 		5 LEU A 328
LEU A  30
LEU A   9
LEU A  12
THR A  18
 None
 1.40A 2oaxA-4aovA:
undetectable		 2oaxA-4aovA:
20.14
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.
4e09 PLASMID PARTITIONING
PROTEIN PARF

(Escherichia
coli) 		PF01656
(CbiA) 		5 LEU A 136
LEU A 100
LEU A 122
THR A 157
PHE A 112
 None
 1.47A 2oaxA-4e09A:
undetectable		 2oaxA-4e09A:
24.71
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.
4gfi MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 MET A 282
LEU A 247
LEU A 297
THR A 125
PHE A  18
 None
None
None
ALA  A 402 (-3.5A)
GLU  A 403 (-4.6A)
 1.32A 2oaxA-4gfiA:
undetectable		 2oaxA-4gfiA:
21.52
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.
4iv6 ACYL-COA
DEHYDROGENASE FADE3

(Mycolicibacterium
smegmatis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A 165
LEU A 223
GLN A 233
LEU A 131
THR A 136
 None
 1.39A 2oaxA-4iv6A:
undetectable		 2oaxA-4iv6A:
22.68
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.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 LEU A 144
LEU A 138
MET A 125
LEU A 189
LEU A 152
 None
 1.45A 2oaxA-4krgA:
undetectable		 2oaxA-4krgA:
19.65
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.
4mni TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		5 ASN A  56
LEU A 260
MET A  90
LEU A 253
THR A  31
 None
 1.22A 2oaxA-4mniA:
undetectable		 2oaxA-4mniA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		6 LEU A 280
LEU A 286
MET A 321
ARG A 331
MET A 358
PHE A 462
 None
 0.76A 2oaxA-4n1yA:
28.1		 2oaxA-4n1yA:
26.57
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) 		10 ASN A 564
LEU A 566
GLN A 570
MET A 601
LEU A 608
ARG A 611
LEU A 732
CYH A 736
THR A 739
PHE A 749
 MOF  A 801 (-3.0A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-2.9A)
MOF  A 801 (-3.7A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-4.2A)
MOF  A 801 ( 4.2A)
MOF  A 801 (-3.7A)
MOF  A 801 (-3.9A)
MOF  A 801 (-4.4A)
 0.54A 2oaxA-4p6wA:
33.6		 2oaxA-4p6wA:
56.25
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) 		6 ASN A 564
LEU A 621
LEU A 732
CYH A 736
THR A 739
PHE A 749
 MOF  A 801 (-3.0A)
None
MOF  A 801 ( 4.2A)
MOF  A 801 (-3.7A)
MOF  A 801 (-3.9A)
MOF  A 801 (-4.4A)
 1.24A 2oaxA-4p6wA:
33.6		 2oaxA-4p6wA:
56.25
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.
4q9z HUMAN PROTEIN KINASE
C THETA

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		5 LEU A 411
MET A 686
LEU A 417
THR A 425
PHE A 694
 None
None
None
None
SEP  A 695 ( 4.7A)
 1.44A 2oaxA-4q9zA:
undetectable		 2oaxA-4q9zA:
21.07
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.
4qfe ENOYL-COA HYDRATASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		5 LEU A 113
MET A  85
LEU A 137
CYH A  61
THR A  59
 None
 1.46A 2oaxA-4qfeA:
undetectable		 2oaxA-4qfeA:
23.69
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) 		11 LEU A 766
ASN A 770
LEU A 772
GLN A 776
MET A 807
LEU A 814
ARG A 817
LEU A 938
CYH A 942
THR A 945
PHE A 956
 CV7  A1987 (-3.6A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.5A)
CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-4.0A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.7A)
 0.46A 2oaxA-4udbA:
36.3		 2oaxA-4udbA:
91.54
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) 		7 LEU A 766
ASN A 770
LEU A 827
LEU A 938
CYH A 942
THR A 945
PHE A 956
 CV7  A1987 (-3.6A)
CV7  A1987 (-3.1A)
None
CV7  A1987 ( 3.9A)
CV7  A1987 (-4.0A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.7A)
 1.15A 2oaxA-4udbA:
36.3		 2oaxA-4udbA:
91.54
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.
4uwa RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF00622
(SPRY)
PF01365
(RYDR_ITPR)
PF02026
(RyR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		5 LEU A 101
LEU A 108
LEU A 118
MET A 202
LEU A 171
 None
 1.48A 2oaxA-4uwaA:
undetectable		 2oaxA-4uwaA:
5.41
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.
4w5w RIBULOSE
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E ACTIVASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00004
(AAA) 		5 LEU A 147
LEU A 167
CYH A 224
THR A 225
PHE A 229
 None
 1.30A 2oaxA-4w5wA:
undetectable		 2oaxA-4w5wA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yyp SCL-INTERRUPTING
LOCUS PROTEIN
SERINE/THREONINE-PRO
TEIN KINASE PLK4

(Homo sapiens) 		PF00659
(POLO_box)
no annotation 		5 LEU A 902
GLN B 739
LEU A 917
THR A 900
PHE A 962
 None
None
None
CL  A1001 (-3.7A)
None
 1.44A 2oaxA-4yypA:
undetectable		 2oaxA-4yypA:
18.65
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.
4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 LEU B 465
ASN B 468
LEU B 470
LEU B 368
THR B 461
 None
 1.18A 2oaxA-4zktB:
undetectable		 2oaxA-4zktB:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bql FLUORESCENT PROTEIN
CYOFP

(Escherichia
coli) 		PF01353
(GFP) 		5 LEU A 119
MET A  13
LEU A   8
THR A  72
PHE A  92
 None
 1.46A 2oaxA-5bqlA:
undetectable		 2oaxA-5bqlA:
22.63
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.
5bwi GLYCOSIDE HYDROLASE
FAMILY 79

(Burkholderia
pseudomallei) 		PF12891
(Glyco_hydro_44) 		5 ASN A 279
LEU A 281
LEU A 392
THR A 366
PHE A 348
 None
 1.22A 2oaxA-5bwiA:
undetectable		 2oaxA-5bwiA:
20.04
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.
5dz6 POLYKETIDE
BIOSYNTHESIS MALONYL
COA-ACYL CARRIER
PROTEIN TRANSACYLASE
PKSC

(Bacillus
subtilis) 		PF00698
(Acyl_transf_1) 		5 LEU A  51
ASN A  52
LEU A  88
ARG A 112
MET A  16
 None
 1.15A 2oaxA-5dz6A:
undetectable		 2oaxA-5dz6A:
22.30
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.
5ei0 SERPIN A12

(Homo sapiens) 		PF00079
(Serpin) 		5 LEU A 358
LEU A  74
LEU A  60
THR A 365
PHE A 210
 None
 1.48A 2oaxA-5ei0A:
undetectable		 2oaxA-5ei0A:
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.
5g26 INTIMIN

(Escherichia
coli) 		PF11924
(IAT_beta) 		5 LEU A 430
LEU A 427
GLN A 410
MET A 271
LEU A 241
 None
 1.42A 2oaxA-5g26A:
undetectable		 2oaxA-5g26A:
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.
5jo7 VETISPIRADIENE
SYNTHASE 1

(Hyoscyamus
muticus) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ASN A 113
LEU A 156
LEU A 206
LEU A 121
THR A  68
 None
 1.17A 2oaxA-5jo7A:
undetectable		 2oaxA-5jo7A:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mjs TUBULIN ALPHA-1
CHAIN

(Schizosaccharomyces
pombe) 		no annotation 5 LEU E 263
ASN E 262
LEU E 246
ARG E   2
LEU E 322
 None
 1.41A 2oaxA-5mjsE:
undetectable		 2oaxA-5mjsE:
15.92
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 LEU A 765
LEU A 772
GLN A 776
LEU A 814
ARG A 817
 None
ECV  A1101 ( 3.9A)
ECV  A1101 (-2.9A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
 1.20A 2oaxA-5mwpA:
38.4		 2oaxA-5mwpA:
73.75
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 12 LEU A 766
ASN A 770
LEU A 772
GLN A 776
MET A 807
LEU A 814
ARG A 817
MET A 845
LEU A 938
CYH A 942
THR A 945
PHE A 956
 ECV  A1101 ( 3.9A)
ECV  A1101 (-3.1A)
ECV  A1101 ( 3.9A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-4.0A)
ECV  A1101 ( 4.3A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
 0.51A 2oaxA-5mwpA:
38.4		 2oaxA-5mwpA:
73.75
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 6 LEU A 766
ASN A 770
LEU A 827
CYH A 942
THR A 945
PHE A 956
 ECV  A1101 ( 3.9A)
ECV  A1101 (-3.1A)
None
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
 1.18A 2oaxA-5mwpA:
38.4		 2oaxA-5mwpA:
73.75
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 6 ASN A 560
LEU A 562
GLN A 566
LEU A 604
ARG A 607
MET A 635
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
 1.04A 2oaxA-5uc1A:
21.8		 2oaxA-5uc1A:
57.50
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 6 ASN A 560
LEU A 562
GLN A 566
MET A 597
LEU A 604
ARG A 607
 486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.76A 2oaxA-5uc1A:
21.8		 2oaxA-5uc1A:
57.50
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) 		8 ASN A  33
LEU A  35
GLN A  39
LEU A  77
ARG A  80
MET A 108
THR A 208
PHE A 218
 1TA  A 301 (-3.0A)
1TA  A 301 ( 3.6A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.4A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 3.0A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 1.05A 2oaxA-5ufsA:
35.2		 2oaxA-5ufsA:
62.15
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) 		10 ASN A  33
LEU A  35
GLN A  39
MET A  70
LEU A  77
ARG A  80
LEU A 201
CYH A 205
THR A 208
PHE A 218
 1TA  A 301 (-3.0A)
1TA  A 301 ( 3.6A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.1A)
1TA  A 301 ( 3.4A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 3.8A)
1TA  A 301 (-3.6A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 0.53A 2oaxA-5ufsA:
35.2		 2oaxA-5ufsA:
62.15
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) 		6 ASN A  33
LEU A  90
LEU A 201
CYH A 205
THR A 208
PHE A 218
 1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.8A)
1TA  A 301 (-3.6A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 1.18A 2oaxA-5ufsA:
35.2		 2oaxA-5ufsA:
62.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ulc BROMODOMAIN PROTEIN
1

(Plasmodium
falciparum) 		PF00439
(Bromodomain) 		5 LEU X 387
ASN X 341
LEU X 339
LEU X 434
LEU X 347
 None
 1.31A 2oaxA-5ulcX:
undetectable		 2oaxA-5ulcX:
20.46
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.
5xdr PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE DHX15

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		5 LEU A 627
MET A 574
LEU A 664
LEU A 571
THR A 749
 None
 1.49A 2oaxA-5xdrA:
undetectable		 2oaxA-5xdrA:
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.
5y1g NAD DEPENDENT
EPIMERASE/DEHYDRATAS
E FAMILY

(uncultured
archaeon
MedDCM-OCT-S05-C57) 		no annotation 5 LEU A 204
LEU A 166
GLN A  10
LEU A  73
THR A 202
 None
NAD  A 402 (-3.8A)
NAD  A 402 (-3.8A)
AKB  A 401 (-4.1A)
None
 1.47A 2oaxA-5y1gA:
undetectable		 2oaxA-5y1gA:
21.53
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.
5y96 RECEPTOR-LIKE
PROTEIN KINASE
ANXUR1

(Arabidopsis
thaliana) 		no annotation 5 LEU B 389
ASN B 390
LEU B 252
GLN B 315
MET B 374
 None
 1.40A 2oaxA-5y96B:
undetectable		 2oaxA-5y96B:
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.
6ap4 DNA POLYMERASE III
SUBUNIT BETA

(Acinetobacter
baumannii) 		no annotation 5 LEU A 227
ASN A 229
LEU A 221
LEU A  53
THR A 123
 None
 1.40A 2oaxA-6ap4A:
undetectable		 2oaxA-6ap4A:
16.02
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.
6ap4 DNA POLYMERASE III
SUBUNIT BETA

(Acinetobacter
baumannii) 		no annotation 5 LEU A 227
LEU A 221
LEU A 208
LEU A  53
THR A 123
 None
 1.46A 2oaxA-6ap4A:
undetectable		 2oaxA-6ap4A:
16.02
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.
6el8 FORKHEAD BOX PROTEIN
N1

(Homo sapiens) 		no annotation 5 LEU A 322
ASN A 321
LEU A 278
LEU A 346
CYH A 327
 None
 1.40A 2oaxA-6el8A:
undetectable		 2oaxA-6el8A:
18.04
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 5 LEU A 406
MET A 345
LEU A 364
LEU A 302
THR A 384
 None
 1.39A 2oaxA-6eotA:
undetectable		 2oaxA-6eotA:
15.95
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.
6fcx METHYLENETETRAHYDROF
OLATE REDUCTASE

(Homo sapiens) 		no annotation 5 LEU A  62
LEU A  89
ARG A  41
THR A 329
PHE A 320
 None
 1.45A 2oaxA-6fcxA:
undetectable		 2oaxA-6fcxA:
15.19