SIMILAR PATTERNS OF AMINO ACIDS FOR 2OAX_B_SNLB2001

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
 1.30A 2oaxB-1drtA:
undetectable		 2oaxB-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
 1.32A 2oaxB-1f3lA:
undetectable		 2oaxB-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.
1fps FARNESYL DIPHOSPHATE
SYNTHASE

(Gallus gallus) 		PF00348
(polyprenyl_synt) 		5 LEU A 108
LEU A 157
LEU A 175
THR A 181
PHE A 113
 None
 1.31A 2oaxB-1fpsA:
undetectable		 2oaxB-1fpsA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fui L-FUCOSE ISOMERASE

(Escherichia
coli) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 ALA A 356
GLN A 357
LEU A 531
CYH A 427
PHE A 323
 None
 1.23A 2oaxB-1fuiA:
undetectable		 2oaxB-1fuiA:
17.62
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.
1i41 CYSTATHIONINE
GAMMA-SYNTHASE

(Nicotiana
tabacum) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A 194
ALA A 195
GLN A 198
THR A 206
PHE A 204
 None
 1.06A 2oaxB-1i41A:
undetectable		 2oaxB-1i41A:
19.29
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.
1imv PIGMENT
EPITHELIUM-DERIVED
FACTOR

(Homo sapiens) 		PF00079
(Serpin) 		5 ASN A  32
LEU A  34
ALA A  35
LEU A 106
PHE A  26
 None
 1.27A 2oaxB-1imvA:
undetectable		 2oaxB-1imvA:
21.77
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.
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
 1.34A 2oaxB-1iuqA:
undetectable		 2oaxB-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.
1qrj HTLV-I CAPSID
PROTEIN

(Primate
T-lymphotropic
virus 1) 		PF00607
(Gag_p24) 		5 LEU A  43
ALA A  44
GLN A  47
MET A  15
PHE A 121
 None
 1.07A 2oaxB-1qrjA:
undetectable		 2oaxB-1qrjA:
22.06
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.
1qvr CLPB PROTEIN

(Thermus
thermophilus) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 LEU A  20
LEU A  14
ALA A  13
LEU A 115
LEU A  39
 None
 0.97A 2oaxB-1qvrA:
undetectable		 2oaxB-1qvrA:
14.67
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.
1r6m RIBONUCLEASE PH

(Pseudomonas
aeruginosa) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU A 215
LEU A 221
ALA A 222
LEU A 176
ARG A   3
 None
 1.20A 2oaxB-1r6mA:
undetectable		 2oaxB-1r6mA:
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.
1s70 130 KDA
MYOSIN-BINDING
SUBUNIT OF SMOOTH
MUSCLE MYOSIN
PHOPHATASE (M130)

(Gallus gallus) 		PF12796
(Ank_2) 		5 LEU B  59
LEU B  45
ALA B  76
GLN B  79
MET B  88
 None
 1.29A 2oaxB-1s70B:
undetectable		 2oaxB-1s70B:
23.21
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.
1udq RIBONUCLEASE PH

(Aquifex
aeolicus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU A 214
LEU A 220
ALA A 221
LEU A 175
ARG A   2
 None
 1.27A 2oaxB-1udqA:
undetectable		 2oaxB-1udqA:
21.72
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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 LEU A 227
ALA A 228
GLN A 231
CYH A 245
PHE A 152
 None
 1.08A 2oaxB-1v7vA:
undetectable		 2oaxB-1v7vA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.21A 2oaxB-1vblA:
undetectable		 2oaxB-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
 0.88A 2oaxB-1w6jA:
undetectable		 2oaxB-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.
1wjt TRANSCRIPTION
ELONGATION FACTOR
S-II PROTEIN 3

(Mus musculus) 		PF08711
(Med26) 		5 LEU A  15
LEU A  21
ALA A  58
LEU A  78
LEU A  50
 None
 1.11A 2oaxB-1wjtA:
undetectable		 2oaxB-1wjtA:
22.36
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.
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
 1.28A 2oaxB-1x87A:
undetectable		 2oaxB-1x87A:
18.01
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
LEU A 707
GLN A 711
MET A 742
ARG A 752
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 (-4.4A)
None
 0.64A 2oaxB-2ax9A:
35.4		 2oaxB-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.
2dpn GLYCEROL KINASE

(Thermus
thermophilus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 LEU A 253
ASN A 271
LEU A 269
ALA A 298
ARG A  81
 None
 1.29A 2oaxB-2dpnA:
undetectable		 2oaxB-2dpnA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 265
LEU A 271
ALA A 272
MET A 306
ARG A 316
 None
OHT  A 500 ( 4.4A)
OHT  A 500 (-3.5A)
OHT  A 500 (-3.9A)
OHT  A 500 (-3.8A)
 0.32A 2oaxB-2gpvA:
25.6		 2oaxB-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.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 271
LEU A 265
ALA A 264
LEU A 345
LEU A 324
 OHT  A 500 ( 4.4A)
None
None
OHT  A 500 (-4.3A)
None
 0.95A 2oaxB-2gpvA:
25.6		 2oaxB-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.
2lhi CALMODULIN,
SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT A1

(Saccharomyces
cerevisiae;
synthetic
construct) 		PF13499
(EF-hand_7) 		5 LEU A  69
LEU A 463
ALA A 464
LEU A  76
PHE A  16
 None
 1.33A 2oaxB-2lhiA:
undetectable		 2oaxB-2lhiA:
23.22
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.
2lyc SPINDLE AND
KINETOCHORE-ASSOCIAT
ED PROTEIN 1 HOMOLOG

(Caenorhabditis
elegans) 		PF07160
(SKA1) 		5 LEU A  70
ASN A  66
LEU A  64
LEU A  49
LEU A  42
 None
 1.15A 2oaxB-2lycA:
undetectable		 2oaxB-2lycA:
15.26
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.
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
 1.21A 2oaxB-2nyaA:
undetectable		 2oaxB-2nyaA:
14.42
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)
 1.14A 2oaxB-2q3yA:
37.3		 2oaxB-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
ALA A  36
GLN A  39
MET A  70
LEU A  77
ARG A  80
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 (-3.6A)
1CA  A 247 (-3.1A)
1CA  A 247 ( 3.8A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
1CA  A 247 ( 4.2A)
1CA  A 247 (-4.0A)
1CA  A 247 (-3.4A)
1CA  A 247 (-4.5A)
 0.34A 2oaxB-2q3yA:
37.3		 2oaxB-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)
 1.18A 2oaxB-2q3yA:
37.3		 2oaxB-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.
2qve TYROSINE AMINOMUTASE

(Streptomyces
globisporus) 		PF00221
(Lyase_aromatic) 		5 LEU A 372
LEU A 378
ALA A 379
GLN A 382
LEU A 521
 None
 1.03A 2oaxB-2qveA:
undetectable		 2oaxB-2qveA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ych COMPETENCE PROTEIN
PILM

(Thermus
thermophilus) 		PF11104
(PilM_2) 		5 LEU A 313
LEU A 322
ALA A 323
LEU A 291
LEU A 194
 None
 1.12A 2oaxB-2ychA:
undetectable		 2oaxB-2ychA:
20.84
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.
3anv D-SERINE DEHYDRATASE

(Gallus gallus) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		5 LEU A 288
LEU A 341
ALA A 342
LEU A 248
THR A 351
 None
 1.11A 2oaxB-3anvA:
undetectable		 2oaxB-3anvA:
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.
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
 1.32A 2oaxB-3bn3B:
undetectable		 2oaxB-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
 1.29A 2oaxB-3c6gA:
undetectable		 2oaxB-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.
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
 1.24A 2oaxB-3e1sA:
undetectable		 2oaxB-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.
3e2d ALKALINE PHOSPHATASE

(Vibrio sp.
G15-21) 		PF00245
(Alk_phosphatase) 		5 ASN A 446
LEU A 448
ALA A 449
GLN A 452
PHE A 439
 None
 1.25A 2oaxB-3e2dA:
undetectable		 2oaxB-3e2dA:
17.91
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.
3eh1 PROTEIN TRANSPORT
PROTEIN SEC24B

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 ASN A 953
MET A 801
LEU A 794
LEU A 681
PHE A 920
 None
 1.19A 2oaxB-3eh1A:
undetectable		 2oaxB-3eh1A:
16.14
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.
3irv CYSTEINE HYDROLASE

(Pseudomonas
savastanoi) 		PF00857
(Isochorismatase) 		5 LEU A 197
ASN A 201
ALA A 202
MET A  57
LEU A 135
 None
 1.34A 2oaxB-3irvA:
undetectable		 2oaxB-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.
3jap EIF3C

(Saccharomyces
cerevisiae) 		PF00203
(Ribosomal_S19) 		5 LEU p 713
LEU p 557
ALA p 554
LEU p 616
THR p 623
 None
 1.25A 2oaxB-3japp:
undetectable		 2oaxB-3japp:
2.73
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)
 0.64A 2oaxB-3kbaA:
34.1		 2oaxB-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.
3kfu ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Thermus
thermophilus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		5 LEU F  66
ALA F 168
GLN F 167
LEU F 163
LEU F 107
 None
 1.33A 2oaxB-3kfuF:
undetectable		 2oaxB-3kfuF:
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.
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
 1.32A 2oaxB-3ne5A:
undetectable		 2oaxB-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.
3ntk MATERNAL PROTEIN
TUDOR

(Drosophila
melanogaster) 		PF00567
(TUDOR) 		5 LEU A2398
ALA A2397
CYH A2423
THR A2436
PHE A2439
 None
 1.22A 2oaxB-3ntkA:
undetectable		 2oaxB-3ntkA:
20.77
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)
 1.19A 2oaxB-3ry9A:
37.0		 2oaxB-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) 		11 LEU A  29
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 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 ( 4.2A)
1CA  A 249 (-4.0A)
1CA  A 249 (-3.2A)
1CA  A 249 (-4.3A)
 0.33A 2oaxB-3ry9A:
37.0		 2oaxB-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) 		5 LEU A  29
ASN A  33
LEU A  90
THR A 208
PHE A 219
 1CA  A 249 ( 3.8A)
1CA  A 249 (-3.0A)
None
1CA  A 249 (-3.2A)
1CA  A 249 (-4.3A)
 1.23A 2oaxB-3ry9A:
37.0		 2oaxB-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.
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
 1.27A 2oaxB-3wj9A:
undetectable		 2oaxB-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.
4a2i PUTATIVE RIBOSOME
BIOGENESIS GTPASE
RSGA

(Salmonella
enterica) 		PF03193
(RsgA_GTPase) 		5 LEU V 243
ASN V 233
LEU V 231
ALA V 234
LEU V 213
 None
 1.32A 2oaxB-4a2iV:
undetectable		 2oaxB-4a2iV:
23.83
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.
4am9 CHAPERONE SYCD

(Yersinia
enterocolitica) 		PF07720
(TPR_3) 		5 LEU A  36
LEU A  42
ALA A  43
GLN A  46
CYH A  63
 None
 0.85A 2oaxB-4am9A:
undetectable		 2oaxB-4am9A:
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.
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
 1.35A 2oaxB-4bpsA:
undetectable		 2oaxB-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.
4bzi SEC23P

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 LEU A 272
LEU A 266
ALA A 265
LEU A 159
PHE A 182
 None
 1.09A 2oaxB-4bziA:
undetectable		 2oaxB-4bziA:
16.25
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.
4e2u PHO RADA INTEIN

(Pyrococcus
horikoshii) 		PF14890
(Intein_splicing) 		5 LEU A 170
ALA A 107
ARG A  99
LEU A  81
THR A   6
 None
 1.17A 2oaxB-4e2uA:
undetectable		 2oaxB-4e2uA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ezd UREA TRANSPORTER 1

(Bos taurus) 		PF03253
(UT) 		5 LEU A 339
LEU A 287
ALA A 288
LEU A 345
PHE A 313
 SPL  A 408 (-3.8A)
None
None
None
None
 1.23A 2oaxB-4ezdA:
undetectable		 2oaxB-4ezdA:
21.95
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.
4fdh CYTOCHROME P450
11B2, MITOCHONDRIAL

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 324
LEU A 330
ALA A 331
GLN A 337
ARG A 341
 None
 1.15A 2oaxB-4fdhA:
undetectable		 2oaxB-4fdhA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 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)
 1.34A 2oaxB-4gfiA:
undetectable		 2oaxB-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.
4gnk 1-PHOSPHATIDYLINOSIT
OL 4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		5 LEU B 315
LEU B 313
ALA B 312
ARG B 809
LEU B 699
 None
 1.26A 2oaxB-4gnkB:
undetectable		 2oaxB-4gnkB:
12.54
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.
4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6

(Homo sapiens) 		PF00069
(Pkinase) 		5 ASN A 463
LEU A 542
ALA A 513
LEU A 587
PHE A 462
 None
 1.33A 2oaxB-4ks8A:
undetectable		 2oaxB-4ks8A:
20.77
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.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		6 LEU A 280
LEU A 286
ALA A 287
MET A 321
ARG A 331
PHE A 462
 None
 0.53A 2oaxB-4n1yA:
28.1		 2oaxB-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.
4p0f SERINE PROTEASE
INHIBITOR 4, ISOFORM
B

(Drosophila
melanogaster) 		PF00079
(Serpin) 		5 LEU A  13
ALA A  44
MET A 290
LEU A 281
LEU A 288
 None
 1.28A 2oaxB-4p0fA:
undetectable		 2oaxB-4p0fA:
20.95
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)
 0.42A 2oaxB-4p6wA:
33.4		 2oaxB-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
CYH A 736
THR A 739
PHE A 749
 MOF  A 801 (-3.0A)
None
MOF  A 801 (-3.7A)
MOF  A 801 (-3.9A)
MOF  A 801 (-4.4A)
 1.10A 2oaxB-4p6wA:
33.4		 2oaxB-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.
4q5y MATERNAL PROTEIN
TUDOR

(Drosophila
melanogaster) 		PF00567
(TUDOR) 		5 LEU A2398
ALA A2397
CYH A2423
THR A2436
PHE A2439
 None
 1.15A 2oaxB-4q5yA:
undetectable		 2oaxB-4q5yA:
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.
4u1c EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT C

(Saccharomyces
cerevisiae) 		PF01399
(PCI)
PF05470
(eIF-3c_N) 		5 LEU C 713
LEU C 557
ALA C 554
LEU C 616
THR C 623
 None
 1.27A 2oaxB-4u1cC:
undetectable		 2oaxB-4u1cC:
18.88
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) 		12 LEU A 766
ASN A 770
LEU A 772
ALA A 773
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 (-3.5A)
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)
 0.41A 2oaxB-4udbA:
35.7		 2oaxB-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)
 1.18A 2oaxB-4udbA:
35.7		 2oaxB-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.
4uer EIF3C

(Lachancea
kluyveri) 		PF00189
(Ribosomal_S3_C)
PF07650
(KH_2) 		5 LEU c 713
LEU c 557
ALA c 554
LEU c 616
THR c 623
 None
 1.27A 2oaxB-4uerc:
undetectable		 2oaxB-4uerc:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uzs BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 LEU A 547
ASN A 549
LEU A 570
ALA A 615
LEU A 609
 None
 1.15A 2oaxB-4uzsA:
undetectable		 2oaxB-4uzsA:
15.77
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.
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 2oaxB-4w5wA:
undetectable		 2oaxB-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.
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
 1.29A 2oaxB-4xhlA:
undetectable		 2oaxB-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.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ASN A 168
LEU A 170
LEU A 128
ARG A 151
THR A 163
 None
 1.21A 2oaxB-4yw5A:
undetectable		 2oaxB-4yw5A:
18.22
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.
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
 1.28A 2oaxB-4zktB:
undetectable		 2oaxB-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.
5b01 MOEN5

(Streptomyces
viridosporus) 		no annotation 5 ASN A   8
LEU A  59
ALA A  60
LEU A 150
LEU A  34
 None
 1.17A 2oaxB-5b01A:
undetectable		 2oaxB-5b01A:
20.92
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.
5b0l MOEN5,DNA-BINDING
PROTEIN 7D

(Streptomyces
viridosporus;
Sulfolobus
solfataricus) 		no annotation 5 ASN A   8
LEU A  59
ALA A  60
LEU A 150
LEU A  34
 None
None
None
BNG  A 501 ( 4.0A)
BNG  A 501 (-3.8A)
 1.25A 2oaxB-5b0lA:
undetectable		 2oaxB-5b0lA:
20.11
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.
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
 1.34A 2oaxB-5bwiA:
undetectable		 2oaxB-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.
5e43 BETA-LACTAMASE

(Streptosporangium
roseum) 		PF13354
(Beta-lactamase2) 		5 LEU A 139
ALA A 136
LEU A 149
LEU A  68
THR A 236
 None
None
None
None
ACT  A 311 (-3.7A)
 1.34A 2oaxB-5e43A:
undetectable		 2oaxB-5e43A:
22.29
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.
5f22 NON-STRUCTURAL
PROTEIN

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF08717
(nsp8) 		5 ASN B 110
LEU B 108
ALA B 107
LEU B 133
THR B 146
 None
 1.09A 2oaxB-5f22B:
undetectable		 2oaxB-5f22B:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.28A 2oaxB-5im3A:
undetectable		 2oaxB-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.
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
 1.18A 2oaxB-5jo7A:
undetectable		 2oaxB-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.
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
 1.19A 2oaxB-5kf7A:
undetectable		 2oaxB-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.
5m0t ALPHA-KETOGLUTARATE-
DEPENDENT NON-HEME
IRON OXYGENASE EASH

(Aspergillus
japonicus) 		PF05721
(PhyH) 		5 LEU A 202
ALA A 200
MET A  39
LEU A  96
PHE A 161
 None
 1.17A 2oaxB-5m0tA:
undetectable		 2oaxB-5m0tA:
22.70
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)
 1.17A 2oaxB-5mwpA:
38.3		 2oaxB-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
ALA A 773
GLN A 776
MET A 807
LEU A 814
ARG A 817
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 (-3.8A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 ( 4.3A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
 0.40A 2oaxB-5mwpA:
38.3		 2oaxB-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
CYH A 942
THR A 945
 ECV  A1101 ( 3.9A)
ECV  A1101 (-3.1A)
None
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
 1.28A 2oaxB-5mwpA:
38.3		 2oaxB-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
 1.34A 2oaxB-5nfgA:
undetectable		 2oaxB-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
 1.27A 2oaxB-5nnnA:
undetectable		 2oaxB-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.
5nnp N-TERMINAL
ACETYLTRANSFERASE-LI
KE PROTEIN
PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF00583
(Acetyltransf_1)
PF12569
(NARP1)
PF13432
(TPR_16) 		5 LEU A 531
LEU B  36
ALA A 538
LEU A 157
THR A 149
 None
None
GOL  A 801 (-3.2A)
None
None
 1.35A 2oaxB-5nnpA:
undetectable		 2oaxB-5nnpA:
15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nux CHROMATE REDUCTASE

(Thermus
scotoductus) 		no annotation 5 LEU A  19
ASN A  17
LEU A   8
LEU A 255
LEU A  55
 None
 1.26A 2oaxB-5nuxA:
undetectable		 2oaxB-5nuxA:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 301
ALA A 302
MET A 336
LEU A 343
ARG A 346
 EST  A 601 ( 4.3A)
EST  A 601 ( 3.9A)
EST  A 601 ( 3.7A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
 0.30A 2oaxB-5toaA:
24.5		 2oaxB-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 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)
 0.61A 2oaxB-5uc1A:
21.8		 2oaxB-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) 		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)
 0.45A 2oaxB-5ufsA:
35.3		 2oaxB-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
CYH A 205
THR A 208
PHE A 218
 1TA  A 301 (-3.0A)
None
1TA  A 301 (-3.6A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 1.15A 2oaxB-5ufsA:
35.3		 2oaxB-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.
5vni PROTEIN TRANSPORT
PROTEIN SEC23A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 LEU A 274
LEU A 268
ALA A 267
LEU A 166
PHE A 189
 None
 1.28A 2oaxB-5vniA:
undetectable		 2oaxB-5vniA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vni PROTEIN TRANSPORT
PROTEIN SEC24A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 ASN B 778
MET B 627
LEU B 620
LEU B 507
PHE B 745
 None
 1.24A 2oaxB-5vniB:
undetectable		 2oaxB-5vniB:
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.
5xb7 BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		no annotation 5 LEU A 329
LEU A 335
ALA A 336
LEU A 640
CYH A 625
 None
None
None
None
GOL  A 803 (-4.7A)
 1.24A 2oaxB-5xb7A:
undetectable		 2oaxB-5xb7A:
18.24
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.
5xpg UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		no annotation 5 LEU A 473
ALA A 474
LEU A 523
LEU A 570
THR A 626
 None
 1.27A 2oaxB-5xpgA:
undetectable		 2oaxB-5xpgA:
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		5 LEU C 758
LEU C 765
ALA C 766
LEU C 725
THR C 731
 None
 1.19A 2oaxB-5y3rC:
undetectable		 2oaxB-5y3rC:
5.30
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.
5zal ENDORIBONUCLEASE
DICER

(Homo sapiens) 		no annotation 5 LEU A1298
LEU A1566
ALA A1565
LEU A1365
LEU A1303
 None
 1.29A 2oaxB-5zalA:
undetectable		 2oaxB-5zalA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6el8 FORKHEAD BOX PROTEIN
N1

(Homo sapiens) 		no annotation 5 LEU A 322
ASN A 321
LEU A 278
MET A 354
CYH A 327
 None
 1.30A 2oaxB-6el8A:
undetectable		 2oaxB-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
 1.35A 2oaxB-6eotA:
undetectable		 2oaxB-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.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 5 LEU A1627
ASN A1631
LEU A1633
LEU A1611
THR A1774
 None
 1.33A 2oaxB-6ez8A:
undetectable		 2oaxB-6ez8A:
11.30
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.
6f2c METHYLGLYOXAL
SYNTHASE

(Bacillus
subtilis) 		no annotation 5 LEU A   5
LEU A 105
ALA A 106
LEU A 119
THR A  19
 None
 1.33A 2oaxB-6f2cA:
undetectable		 2oaxB-6f2cA:
15.14
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.
6fv4 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		no annotation 5 LEU A 126
LEU A 138
ALA A  95
LEU A 284
THR A 162
 None
 1.21A 2oaxB-6fv4A:
undetectable		 2oaxB-6fv4A:
13.94
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.
1bx0 PROTEIN
(FERREDOXIN:NADP+
OXIDOREDUCTASE)

(Spinacia
oleracea) 		PF00175
(NAD_binding_1) 		4 LEU A 197
LEU A 200
MET A 261
MET A 251
 None
 1.31A 2oaxB-1bx0A:
0.0		 2oaxB-1bx0A:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v77 HYPOTHETICAL PROTEIN
PH1877

(Pyrococcus
horikoshii) 		PF01876
(RNase_P_p30) 		4 LEU A 134
LEU A 181
MET A 149
MET A 190
 None
 1.30A 2oaxB-1v77A:
0.0		 2oaxB-1v77A:
22.83
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.
1wop AMINOMETHYLTRANSFERA
SE

(Thermotoga
maritima) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 LEU A 108
LEU A  97
MET A 197
MET A  51
 FFO  A2888 (-4.2A)
None
FFO  A2888 (-3.5A)
FFO  A2887 (-4.6A)
 1.05A 2oaxB-1wopA:
0.0		 2oaxB-1wopA:
22.93
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.
2r9v ATP SYNTHASE SUBUNIT
ALPHA

(Thermotoga
maritima) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		4 LEU A 349
LEU A 362
MET A 418
MET A 157
 None
 1.41A 2oaxB-2r9vA:
0.0		 2oaxB-2r9vA:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z2m PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		4 LEU B 344
LEU B 517
MET B 400
MET B 386
 None
 1.45A 2oaxB-2z2mB:
0.0		 2oaxB-2z2mB:
23.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		4 LEU A 381
LEU A 387
MET A 324
MET A 308
 None
 1.43A 2oaxB-2z5xA:
0.0		 2oaxB-2z5xA:
21.12
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.
3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Thermus
thermophilus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		4 LEU A 215
LEU A 435
MET A 516
MET A 509
 None
 1.48A 2oaxB-3w3aA:
0.2		 2oaxB-3w3aA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i01 PHOSPHOHEPTOSE
ISOMERASE

(Neisseria
gonorrhoeae) 		PF13580
(SIS_2) 		4 LEU A  41
LEU A  36
MET A  66
MET A 185
 None
 1.26A 2oaxB-5i01A:
0.0		 2oaxB-5i01A:
21.35
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.
5i6c URIC ACID-XANTHINE
PERMEASE

(Aspergillus
nidulans) 		PF00860
(Xan_ur_permease) 		4 LEU A 431
LEU A 125
MET A  90
MET A 403
 None
 1.35A 2oaxB-5i6cA:
0.6		 2oaxB-5i6cA:
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2

(Bos taurus) 		PF00361
(Proton_antipo_M)
PF06444
(NADH_dehy_S2_C) 		4 LEU N 296
LEU N 249
MET N 179
MET N 211
 None
 1.13A 2oaxB-5lc5N:
undetectable		 2oaxB-5lc5N:
22.19
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.
5mkk MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN

(Thermus
thermophilus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 LEU B 288
LEU B 295
MET B 253
MET B 176
 None
 1.39A 2oaxB-5mkkB:
undetectable		 2oaxB-5mkkB:
19.41
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 4 LEU A 632
LEU A 562
MET A 705
MET A 577
 None
 1.27A 2oaxB-5ot1A:
undetectable		 2oaxB-5ot1A:
14.40
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.
5u2a AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Brucella canis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 LEU A 406
LEU A 222
MET A 374
MET A 229
 None
 1.43A 2oaxB-5u2aA:
undetectable		 2oaxB-5u2aA:
18.93