SIMILAR PATTERNS OF AMINO ACIDS FOR 2OAX_C_SNLC3001

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.
1drt CLAVAMINATE SYNTHASE
1

(Streptomyces
clavuligerus) 		PF02668
(TauD) 		5 LEU A 141
ALA A 171
LEU A 270
LEU A 295
THR A 136
 AKG  A 326 (-4.7A)
None
None
None
None
 1.31A 2oaxC-1drtA:
undetectable		 2oaxC-1drtA:
20.82
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.
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
 1.30A 2oaxC-1f3lA:
undetectable		 2oaxC-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.
1h6g ALPHA-1 CATENIN

(Homo sapiens) 		PF01044
(Vinculin) 		5 LEU A 486
ASN A 483
ALA A 467
LEU A 401
LEU A 460
 None
 1.44A 2oaxC-1h6gA:
undetectable		 2oaxC-1h6gA:
23.26
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.
1k0f PERIPLASMIC
ZINC-BINDING PROTEIN
TROA

(Treponema
pallidum) 		PF01297
(ZnuA) 		5 ALA A 201
TRP A 135
LEU A 123
LEU A  91
THR A  95
 None
 1.43A 2oaxC-1k0fA:
undetectable		 2oaxC-1k0fA:
22.15
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.
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
 1.32A 2oaxC-1p49A:
undetectable		 2oaxC-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.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 350
TRP A 383
LEU A 391
ARG A 394
MET A 421
 EST  A   1 ( 3.7A)
None
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.3A)
 0.68A 2oaxC-1pcgA:
26.2		 2oaxC-1pcgA:
29.06
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.
1qua ACUTOLYSIN-C

(Deinagkistrodon
acutus) 		PF01421
(Reprolysin) 		5 LEU A 144
ASN A  94
ALA A  95
MET A  40
LEU A  53
 None
 1.46A 2oaxC-1quaA:
undetectable		 2oaxC-1quaA:
21.97
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.
1sez PROTOPORPHYRINOGEN
OXIDASE,
MITOCHONDRIAL

(Nicotiana
tabacum) 		PF01593
(Amino_oxidase) 		5 LEU A 334
ALA A 174
LEU A 184
LEU A 473
PHE A 392
 OMN  A 601 (-4.7A)
None
None
None
OMN  A 601 (-3.6A)
 1.48A 2oaxC-1sezA:
undetectable		 2oaxC-1sezA:
18.95
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.
1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 LEU A 802
ALA A 936
TRP A 677
LEU A 999
LEU A1009
 None
 1.44A 2oaxC-1sojA:
undetectable		 2oaxC-1sojA:
21.36
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.
1v4g GLUTAMATE--CYSTEINE
LIGASE

(Escherichia
coli) 		PF04262
(Glu_cys_ligase) 		5 LEU A 409
ALA A 417
GLN A 418
LEU A 359
PHE A 349
 None
 1.46A 2oaxC-1v4gA:
undetectable		 2oaxC-1v4gA:
19.46
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.
1vbl PECTATE LYASE 47

(Bacillus sp.
TS-47) 		PF00544
(Pec_lyase_C) 		5 LEU A 274
ASN A 277
LEU A   8
THR A 255
PHE A 248
 None
 1.22A 2oaxC-1vblA:
undetectable		 2oaxC-1vblA:
20.19
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.
1w6j LANOSTEROL SYNTHASE

(Homo sapiens) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		5 LEU A 491
ALA A 458
LEU A 465
THR A 559
PHE A 500
 None
 0.91A 2oaxC-1w6jA:
undetectable		 2oaxC-1w6jA:
16.16
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.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 LEU A 472
ASN A 469
ALA A 497
LEU A  97
THR A 519
 None
 1.26A 2oaxC-1x87A:
undetectable		 2oaxC-1x87A:
18.01
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.
1xkp CHAPERONE PROTEIN
SYCN

(Yersinia pestis) 		no annotation 5 LEU B  50
ALA B 109
GLN B 108
MET B  31
LEU B  15
 None
 1.36A 2oaxC-1xkpB:
undetectable		 2oaxC-1xkpB:
19.92
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.
1xsz GUANINE NUCLEOTIDE
EXCHANGE PROTEIN

(Legionella
pneumophila) 		PF01369
(Sec7) 		5 LEU A 287
ALA A 104
TRP A 251
LEU A 110
THR A 144
 None
 1.46A 2oaxC-1xszA:
undetectable		 2oaxC-1xszA:
22.83
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) 		8 LEU A 701
ASN A 705
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 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
BHM  A   1 ( 4.3A)
BHM  A   1 (-4.4A)
None
 0.72A 2oaxC-2ax9A:
35.8		 2oaxC-2ax9A:
51.36
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) 		7 LEU A 701
ASN A 705
TRP A 741
MET A 742
MET A 780
LEU A 873
PHE A 891
 None
BHM  A   1 (-3.6A)
None
BHM  A   1 ( 4.0A)
BHM  A   1 ( 4.3A)
BHM  A   1 (-4.4A)
None
 1.13A 2oaxC-2ax9A:
35.8		 2oaxC-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.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 265
ALA A 272
TRP A 305
MET A 306
ARG A 316
 None
OHT  A 500 (-3.5A)
None
OHT  A 500 (-3.9A)
OHT  A 500 (-3.8A)
 0.65A 2oaxC-2gpvA:
25.5		 2oaxC-2gpvA:
27.65
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.
2id3 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF16859
(TetR_C_11) 		5 LEU A 127
ALA A  74
LEU A  24
ARG A  20
LEU A 109
 None
 1.41A 2oaxC-2id3A:
undetectable		 2oaxC-2id3A:
19.78
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.
2jjf L-LYSINE EPSILON
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		5 LEU A 114
ALA A 285
GLN A 288
LEU A 427
THR A 302
 None
 1.44A 2oaxC-2jjfA:
undetectable		 2oaxC-2jjfA:
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.
2ju1 ERYTHRONOLIDE
SYNTHASE

(Saccharopolyspora
erythraea) 		PF00550
(PP-binding) 		5 ALA A  66
LEU A   9
ARG A   6
LEU A  21
THR A  27
 None
 1.41A 2oaxC-2ju1A:
undetectable		 2oaxC-2ju1A:
18.36
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.
2nya PERIPLASMIC NITRATE
REDUCTASE

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 LEU A 663
ASN A 233
ALA A 236
LEU A 356
LEU A 256
 None
 1.30A 2oaxC-2nyaA:
undetectable		 2oaxC-2nyaA:
14.42
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.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 350
TRP A 383
LEU A 391
ARG A 394
MET A 421
 EST  A 596 ( 3.9A)
None
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 (-4.5A)
 0.73A 2oaxC-2ocfA:
27.6		 2oaxC-2ocfA:
28.24
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.
2oze ORF DELTA'

(Streptococcus
pyogenes) 		PF13614
(AAA_31) 		5 LEU A 143
ASN A 172
ALA A 173
LEU A 125
THR A 132
 None
 1.16A 2oaxC-2ozeA:
undetectable		 2oaxC-2ozeA:
24.85
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
ALA A  36
GLN A  39
TRP A  69
MET A  70
LEU A  77
ARG A  80
MET A 108
LEU A 201
THR A 208
PHE A 219
 1CA  A 247 ( 3.6A)
1CA  A 247 (-2.9A)
1CA  A 247 (-3.6A)
1CA  A 247 (-3.1A)
None
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 (-3.4A)
1CA  A 247 (-4.5A)
 0.43A 2oaxC-2q3yA:
36.4		 2oaxC-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) 		5 LEU A  29
ASN A  33
LEU A  90
THR A 208
PHE A 219
 1CA  A 247 ( 3.6A)
1CA  A 247 (-2.9A)
None
1CA  A 247 (-3.4A)
1CA  A 247 (-4.5A)
 1.14A 2oaxC-2q3yA:
36.4		 2oaxC-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.
2y05 PROSTAGLANDIN
REDUCTASE 1

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 ASN A 217
ALA A 149
LEU A 317
THR A 128
PHE A 215
 NAP  A 701 (-3.8A)
NAP  A 701 ( 3.9A)
None
NAP  A 701 (-3.1A)
None
 1.37A 2oaxC-2y05A:
undetectable		 2oaxC-2y05A:
20.56
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.
3a74 LYSYL-TRNA
SYNTHETASE

(Geobacillus
stearothermophilus) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 LEU A 283
ASN A 286
ALA A 289
LEU A 471
LEU A 405
 None
 1.45A 2oaxC-3a74A:
undetectable		 2oaxC-3a74A:
17.66
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.
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
 1.26A 2oaxC-3bn3B:
undetectable		 2oaxC-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.
3c6g CYTOCHROME P450 2R1

(Homo sapiens) 		PF00067
(p450) 		5 LEU A  81
ALA A 221
LEU A 485
LEU A 377
THR A 399
 None
VD3  A 701 ( 3.8A)
None
None
None
 1.22A 2oaxC-3c6gA:
undetectable		 2oaxC-3c6gA:
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.
3dmp URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Burkholderia
pseudomallei) 		PF14681
(UPRTase) 		5 LEU A 164
ALA A 168
LEU A 204
ARG A  26
MET A  90
 None
 1.38A 2oaxC-3dmpA:
undetectable		 2oaxC-3dmpA:
21.28
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.
3e1s EXODEOXYRIBONUCLEASE
V, SUBUNIT RECD

(Deinococcus
radiodurans) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30)
PF14490
(HHH_4) 		5 ALA A 451
LEU A 315
ARG A 354
LEU A 308
PHE A 419
 None
 1.22A 2oaxC-3e1sA:
undetectable		 2oaxC-3e1sA:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f7o SERINE PROTEASE

(Purpureocillium
lilacinum) 		PF00082
(Peptidase_S8) 		5 ASN A 133
ALA A 159
LEU A 252
LEU A 236
THR A  79
 None
 1.49A 2oaxC-3f7oA:
undetectable		 2oaxC-3f7oA:
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.
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
 1.12A 2oaxC-3im8A:
undetectable		 2oaxC-3im8A:
22.96
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.
3irv CYSTEINE HYDROLASE

(Pseudomonas
savastanoi) 		PF00857
(Isochorismatase) 		5 LEU A 197
ASN A 201
ALA A 202
MET A  57
LEU A 135
 None
 1.39A 2oaxC-3irvA:
undetectable		 2oaxC-3irvA:
21.74
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.
3ite SIDN SIDEROPHORE
SYNTHETASE

(Epichloe
festucae) 		PF00501
(AMP-binding) 		5 LEU A  66
ALA A  89
TRP A  51
LEU A  81
ARG A 228
 None
None
None
None
SO4  A 558 (-4.7A)
 1.02A 2oaxC-3iteA:
undetectable		 2oaxC-3iteA:
17.86
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.
3k1r HARMONIN
USHER SYNDROME
TYPE-1G PROTEIN

(Homo sapiens) 		PF00536
(SAM_1)
PF00595
(PDZ) 		5 LEU A 153
ALA B 442
LEU B 415
LEU B 396
THR A 156
 None
 1.48A 2oaxC-3k1rA:
undetectable		 2oaxC-3k1rA:
19.56
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 715
ASN A 719
GLN A 725
MET A 756
LEU A 763
ARG A 766
LEU A 887
THR A 894
PHE A 905
 WOW  A   1 (-3.9A)
WOW  A   1 (-3.3A)
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 (-3.9A)
WOW  A   1 (-4.6A)
 0.68A 2oaxC-3kbaA:
33.9		 2oaxC-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) 		8 LEU A 715
ASN A 719
TRP A 755
MET A 756
LEU A 763
LEU A 887
THR A 894
PHE A 905
 WOW  A   1 (-3.9A)
WOW  A   1 (-3.3A)
None
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.0A)
WOW  A   1 (-4.0A)
WOW  A   1 (-3.9A)
WOW  A   1 (-4.6A)
 0.94A 2oaxC-3kbaA:
33.9		 2oaxC-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.
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
 1.31A 2oaxC-3ne5A:
undetectable		 2oaxC-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
 1.11A 2oaxC-3ptwA:
undetectable		 2oaxC-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.
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
 1.26A 2oaxC-3r97A:
undetectable		 2oaxC-3r97A:
21.38
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) 		11 LEU A  29
ASN A  33
GLN A  39
TRP A  69
MET A  70
LEU A  77
ARG A  80
MET A 108
LEU A 201
THR A 208
PHE A 219
 1CA  A 249 ( 3.8A)
1CA  A 249 (-3.0A)
1CA  A 249 (-3.0A)
None
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 (-3.2A)
1CA  A 249 (-4.3A)
 0.42A 2oaxC-3ry9A:
36.6		 2oaxC-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
 1.43A 2oaxC-3rysA:
undetectable		 2oaxC-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.
3s5s MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Sorangium
cellulosum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  53
MET A 306
LEU A 272
LEU A 324
PHE A  23
 None
 1.46A 2oaxC-3s5sA:
undetectable		 2oaxC-3s5sA:
19.95
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.
3ugv ENOLASE

(alpha
proteobacterium
BAL199) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 352
ALA A 329
GLN A 326
MET A 110
LEU A  52
 None
 1.37A 2oaxC-3ugvA:
undetectable		 2oaxC-3ugvA:
20.87
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A1222
ALA A1122
LEU A1214
LEU A1132
THR A1138
 None
 1.33A 2oaxC-3va7A:
undetectable		 2oaxC-3va7A:
12.68
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.
3wj9 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 2A

(Schizosaccharomyces
pombe) 		PF08662
(eIF2A) 		5 LEU A  17
ASN A  19
ALA A  20
LEU A 369
THR A  62
 None
 1.26A 2oaxC-3wj9A:
undetectable		 2oaxC-3wj9A:
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.
3zid TUBULIN/FTSZ, GTPASE

(Methanothrix
thermoacetophila) 		PF00091
(Tubulin) 		5 LEU A  17
ASN A  21
ALA A  24
ARG A 315
MET A 109
 None
 1.40A 2oaxC-3zidA:
undetectable		 2oaxC-3zidA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zlb PHOSPHOGLYCERATE
KINASE

(Streptococcus
pneumoniae) 		PF00162
(PGK) 		5 LEU A 177
ASN A 180
ALA A 183
MET A   1
LEU A 392
 GOL  A1404 (-3.7A)
None
None
None
None
 1.45A 2oaxC-3zlbA:
undetectable		 2oaxC-3zlbA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aby DNA REPAIR PROTEIN
RECN

(Deinococcus
radiodurans) 		PF02463
(SMC_N) 		5 LEU A 396
LEU A 163
ARG A 166
MET A 409
LEU A 442
 None
 1.44A 2oaxC-4abyA:
undetectable		 2oaxC-4abyA:
21.31
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.
4az3 LYSOSOMAL PROTECTIVE
PROTEIN 20 KDA CHAIN
LYSOSOMAL PROTECTIVE
PROTEIN 32 KDA CHAIN

(Homo sapiens) 		PF00450
(Peptidase_S10) 		5 LEU A  74
ALA B 308
MET B 333
LEU B 313
THR B 433
 None
NAG  A3020 ( 4.0A)
S35  A1259 ( 3.9A)
None
None
 1.37A 2oaxC-4az3A:
undetectable		 2oaxC-4az3A:
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.
4bps FKBO

(Streptomyces
hygroscopicus) 		no annotation 5 ASN A 139
ALA A 179
MET A 176
LEU A 166
THR A 115
 3EB  A1345 ( 4.7A)
3EB  A1345 (-2.9A)
None
None
None
 1.31A 2oaxC-4bpsA:
undetectable		 2oaxC-4bpsA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c9b PRE-MRNA-SPLICING
FACTOR CWC22 HOMOLOG

(Homo sapiens) 		PF02854
(MIF4G) 		5 LEU B 239
ALA B 256
GLN B 205
LEU B 263
LEU B 273
 None
 1.42A 2oaxC-4c9bB:
undetectable		 2oaxC-4c9bB:
21.18
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.
4cbw ACTIN, ALPHA
SKELETAL MUSCLE,
ACTIN

(Plasmodium
berghei;
synthetic
construct) 		PF00022
(Actin) 		5 ALA A   8
GLN A   7
TRP A 357
LEU A 347
THR A 107
 None
 1.31A 2oaxC-4cbwA:
undetectable		 2oaxC-4cbwA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dpg LYSINE--TRNA LIGASE

(Homo sapiens) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 LEU A 452
MET A 469
LEU A 482
LEU A 444
PHE A 489
 None
 1.44A 2oaxC-4dpgA:
undetectable		 2oaxC-4dpgA:
17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.33A 2oaxC-4gfiA:
undetectable		 2oaxC-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.
4grc PUTATIVE MEMBRANE
PROTEIN

(Streptomyces
coelicolor) 		PF04261
(Dyp_perox) 		5 ALA A 275
TRP A 213
LEU A 165
LEU A 173
PHE A 347
 None
 1.42A 2oaxC-4grcA:
undetectable		 2oaxC-4grcA:
19.73
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.
4i0x ESAT-6-LIKE PROTEIN
MAB_3112
ESAT-6-LIKE PROTEIN
MAB_3113

(Mycobacteroides
abscessus) 		PF06013
(WXG100) 		5 ALA B  41
GLN B  42
LEU A  62
THR A  68
PHE A  76
 None
 1.44A 2oaxC-4i0xB:
undetectable		 2oaxC-4i0xB:
16.73
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.
4l6u PUTATIVE
UNCHARACTERIZED
PROTEIN

(Archaeoglobus
fulgidus) 		PF03787
(RAMPs) 		5 LEU A 117
ALA A  30
MET A  37
LEU A 133
THR A 119
 None
 1.45A 2oaxC-4l6uA:
undetectable		 2oaxC-4l6uA:
21.64
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.
4lq0 LAGLIDADG HOMING
ENDONUCLEASE

(Leptographium
truncatum) 		PF00961
(LAGLIDADG_1) 		5 LEU A  11
ALA A 175
LEU A 265
LEU A  56
THR A  63
 None
 1.36A 2oaxC-4lq0A:
undetectable		 2oaxC-4lq0A:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mmp SIALIC ACID BINDING
PROTEIN

(Pasteurella
multocida) 		PF03480
(DctP) 		5 ASN A 126
ALA A 124
LEU A 219
THR A 193
PHE A 251
 None
 1.36A 2oaxC-4mmpA:
undetectable		 2oaxC-4mmpA:
23.68
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.
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
 1.14A 2oaxC-4mniA:
undetectable		 2oaxC-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) 		7 LEU A 280
ALA A 287
TRP A 320
MET A 321
ARG A 331
MET A 358
PHE A 462
 None
 0.81A 2oaxC-4n1yA:
27.3		 2oaxC-4n1yA:
26.57
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.
4oc8 RESTRICTION
ENDONUCLEASE ASPBHI

(Azoarcus sp.
BH72) 		PF04471
(Mrr_cat) 		5 LEU A 263
ALA A 304
LEU A 321
ARG A 324
LEU A 356
 None
 1.40A 2oaxC-4oc8A:
undetectable		 2oaxC-4oc8A:
20.05
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) 		9 ASN A 564
GLN A 570
TRP A 600
MET A 601
LEU A 608
ARG A 611
LEU A 732
THR A 739
PHE A 749
 MOF  A 801 (-3.0A)
MOF  A 801 (-2.9A)
None
MOF  A 801 (-3.7A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-4.2A)
MOF  A 801 ( 4.2A)
MOF  A 801 (-3.9A)
MOF  A 801 (-4.4A)
 0.41A 2oaxC-4p6wA:
32.5		 2oaxC-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) 		5 ASN A 564
LEU A 621
LEU A 732
THR A 739
PHE A 749
 MOF  A 801 (-3.0A)
None
MOF  A 801 ( 4.2A)
MOF  A 801 (-3.9A)
MOF  A 801 (-4.4A)
 1.34A 2oaxC-4p6wA:
32.5		 2oaxC-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.
4qma CYSTEINE DIOXYGENASE
TYPE I

(Cupriavidus
pinatubonensis) 		PF05995
(CDO_I) 		5 LEU A 194
ALA A  56
LEU A  53
ARG A 106
LEU A  12
 None
EDO  A 313 (-3.6A)
None
None
None
 1.46A 2oaxC-4qmaA:
undetectable		 2oaxC-4qmaA:
19.16
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.
4s3p 4-ALPHA-GLUCANOTRANS
FERASE

(Escherichia
coli) 		PF02446
(Glyco_hydro_77) 		5 LEU A 680
ASN A 677
ALA A 672
LEU A 667
LEU A 641
 None
 1.48A 2oaxC-4s3pA:
undetectable		 2oaxC-4s3pA:
17.39
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
ALA A 773
GLN A 776
TRP A 806
MET A 807
LEU A 814
ARG A 817
LEU A 938
THR A 945
PHE A 956
 CV7  A1987 (-3.6A)
CV7  A1987 (-3.1A)
CV7  A1987 (-3.5A)
CV7  A1987 (-3.0A)
None
CV7  A1987 ( 3.9A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.7A)
 0.44A 2oaxC-4udbA:
35.8		 2oaxC-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) 		6 LEU A 766
ASN A 770
LEU A 827
LEU A 938
THR A 945
PHE A 956
 CV7  A1987 (-3.6A)
CV7  A1987 (-3.1A)
None
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.7A)
 1.18A 2oaxC-4udbA:
35.8		 2oaxC-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.
4xhl CASEIN KINASE I
HOMOLOG HRR25

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		5 LEU A 293
GLN A 367
LEU A 338
THR A 296
PHE A 344
 None
 1.30A 2oaxC-4xhlA:
undetectable		 2oaxC-4xhlA:
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.
4ynn PROTEASE DO

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 LEU A 194
ASN A 205
ALA A 190
LEU A 112
THR A 181
 None
 1.37A 2oaxC-4ynnA:
undetectable		 2oaxC-4ynnA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dnl IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Pyrococcus
furiosus) 		PF00475
(IGPD) 		5 LEU A  27
ALA A  33
LEU A 155
LEU A  62
THR A  22
 None
 1.29A 2oaxC-5dnlA:
undetectable		 2oaxC-5dnlA:
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.
5gut DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH) 		5 ALA A1581
GLN A1559
LEU A1586
THR A1166
PHE A1180
 SAH  A1701 (-3.5A)
None
None
None
None
 1.43A 2oaxC-5gutA:
undetectable		 2oaxC-5gutA:
15.13
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.
5hb1 NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		PF03177
(Nucleoporin_C) 		5 LEU A 724
ALA A 616
GLN A 621
LEU A 680
PHE A 645
 None
 1.41A 2oaxC-5hb1A:
undetectable		 2oaxC-5hb1A:
15.62
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A1222
ALA A1122
LEU A1214
LEU A1132
THR A1138
 None
 1.32A 2oaxC-5i8iA:
undetectable		 2oaxC-5i8iA:
10.40
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.
5im3 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Pseudomonas
aeruginosa) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 LEU A 395
ASN A 392
ALA A 437
LEU A 586
THR A 376
 None
 1.26A 2oaxC-5im3A:
undetectable		 2oaxC-5im3A:
15.67
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 LEU A 710
ALA A 732
ARG A 590
LEU A 758
THR A 714
 None
NAD  A2002 (-3.9A)
None
None
None
 1.25A 2oaxC-5kf7A:
undetectable		 2oaxC-5kf7A:
12.06
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.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 ALA A 822
GLN A 296
MET A 302
LEU A 830
PHE A 797
 None
 1.41A 2oaxC-5l3dA:
undetectable		 2oaxC-5l3dA:
15.41
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.
5m0t ALPHA-KETOGLUTARATE-
DEPENDENT NON-HEME
IRON OXYGENASE EASH

(Aspergillus
japonicus) 		PF05721
(PhyH) 		5 ALA A 200
LEU A  95
ARG A  16
LEU A 152
THR A 207
 None
 1.30A 2oaxC-5m0tA:
undetectable		 2oaxC-5m0tA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mlq CDPS

(Nocardia
brasiliensis) 		no annotation 5 ALA A 115
LEU A  68
ARG A  70
MET A 202
LEU A  32
 None
 1.39A 2oaxC-5mlqA:
undetectable		 2oaxC-5mlqA:
16.00
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.
5mqo NON-REDUCING END
BETA-L-ARABINOFURANO
SIDASE

(Bacteroides
thetaiotaomicron) 		PF07944
(Glyco_hydro_127) 		5 ALA A 469
GLN A 470
LEU A  25
LEU A 390
THR A 382
 None
 1.46A 2oaxC-5mqoA:
undetectable		 2oaxC-5mqoA:
17.08
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
ALA A 773
GLN A 776
TRP A 806
MET A 807
LEU A 814
ARG A 817
MET A 845
LEU A 938
THR A 945
PHE A 956
 ECV  A1101 ( 3.9A)
ECV  A1101 (-3.1A)
ECV  A1101 (-3.8A)
ECV  A1101 (-2.9A)
None
ECV  A1101 (-3.6A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-4.0A)
ECV  A1101 ( 4.3A)
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
 0.47A 2oaxC-5mwpA:
37.9		 2oaxC-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 5 LEU A 766
ASN A 770
LEU A 827
THR A 945
PHE A 956
 ECV  A1101 ( 3.9A)
ECV  A1101 (-3.1A)
None
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
 1.25A 2oaxC-5mwpA:
37.9		 2oaxC-5mwpA:
73.75
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.
5nfg PROCARDOSIN-B,PROCAR
DOSIN-B

(Cynara
cardunculus) 		no annotation 5 ALA A 264
GLN A 242
ARG A 237
LEU A 346
PHE A 313
 None
 1.35A 2oaxC-5nfgA:
undetectable		 2oaxC-5nfgA:
19.95
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.
5nnn CTATC

(Chaetomium
thermophilum) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 LEU A2247
ALA A2049
LEU A1956
THR A2083
PHE A2009
 None
 1.21A 2oaxC-5nnnA:
undetectable		 2oaxC-5nnnA:
21.45
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.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 302
TRP A 335
MET A 336
LEU A 343
ARG A 346
 EST  A 601 ( 3.9A)
None
EST  A 601 ( 3.7A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
 0.47A 2oaxC-5toaA:
24.8		 2oaxC-5toaA:
29.59
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 5 ASN A 560
GLN A 566
LEU A 604
ARG A 607
MET A 635
 486  A 801 (-4.2A)
486  A 801 (-2.8A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
 1.22A 2oaxC-5uc1A:
21.3		 2oaxC-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 5 ASN A 560
GLN A 566
MET A 597
LEU A 604
ARG A 607
 486  A 801 (-4.2A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.67A 2oaxC-5uc1A:
21.3		 2oaxC-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 5 GLN A 566
TRP A 596
MET A 597
LEU A 604
ARG A 607
 486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
 0.59A 2oaxC-5uc1A:
21.3		 2oaxC-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) 		7 ASN A  33
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 (-3.0A)
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)
 1.16A 2oaxC-5ufsA:
34.4		 2oaxC-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) 		9 ASN A  33
GLN A  39
TRP A  69
MET A  70
LEU A  77
ARG A  80
LEU A 201
THR A 208
PHE A 218
 1TA  A 301 (-3.0A)
1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 ( 3.4A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 3.8A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 0.46A 2oaxC-5ufsA:
34.4		 2oaxC-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) 		5 ASN A  33
LEU A  90
LEU A 201
THR A 208
PHE A 218
 1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.8A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 1.27A 2oaxC-5ufsA:
34.4		 2oaxC-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.
5v8f ORIGIN RECOGNITION
COMPLEX SUBUNIT 3

(Saccharomyces
cerevisiae) 		no annotation 5 LEU C 128
ASN C 126
ALA C 200
LEU C 223
LEU C 150
 None
 1.47A 2oaxC-5v8fC:
undetectable		 2oaxC-5v8fC:
18.31
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.
6bq1 PHOSPHATIDYLINOSITOL
4-KINASE III ALPHA
(PI4KA)

(Homo sapiens) 		no annotation 5 LEU A1214
ALA A1255
TRP A1298
MET A1193
PHE A1248
 None
 0.99A 2oaxC-6bq1A:
undetectable		 2oaxC-6bq1A:
0.00
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.
6caj TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT BETA

(Homo sapiens) 		no annotation 5 GLN C 277
ARG C  83
MET C  34
LEU C  22
PHE C 313
 None
 1.31A 2oaxC-6cajC:
undetectable		 2oaxC-6cajC:
15.92
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.
6chd LYSINE--TRNA LIGASE

(Homo sapiens) 		no annotation 5 LEU A 452
MET A 469
LEU A 482
LEU A 444
PHE A 489
 None
 1.43A 2oaxC-6chdA:
undetectable		 2oaxC-6chdA:
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.
6en4 SPLICING FACTOR 3B
SUBUNIT 1

(Homo sapiens) 		no annotation 5 LEU C1101
ALA C1131
LEU C1172
LEU C1154
THR C1112
 None
 1.48A 2oaxC-6en4C:
undetectable		 2oaxC-6en4C:
17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.38A 2oaxC-6eotA:
undetectable		 2oaxC-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.
2p5i BH3822 PROTEIN

(Bacillus
halodurans) 		PF03099
(BPL_LplA_LipB) 		4 LEU A  63
LEU A  99
MET A 193
CYH A 150
 None
 1.31A 2oaxC-2p5iA:
0.0		 2oaxC-2p5iA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q4a CLAVAMINATE
SYNTHASE-LIKE
PROTEIN AT3G21360

(Arabidopsis
thaliana) 		PF02668
(TauD) 		4 LEU A 312
LEU A 286
MET A 159
CYH A 293
 None
 1.10A 2oaxC-2q4aA:
0.0		 2oaxC-2q4aA:
21.18
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF4

(Schizosaccharomyces
pombe) 		PF02184
(HAT) 		4 LEU R 108
LEU R 126
MET R 147
CYH R 113
 A  N  78 ( 4.5A)
None
None
None
 1.23A 2oaxC-3jb9R:
0.0		 2oaxC-3jb9R:
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.
3zyt ESTERASE A

(Paenarthrobacter
nitroguajacolicus) 		PF00144
(Beta-lactamase) 		4 LEU A 187
LEU A  67
MET A 157
CYH A  60
 None
 1.50A 2oaxC-3zytA:
0.0		 2oaxC-3zytA:
22.70