SIMILAR PATTERNS OF AMINO ACIDS FOR 3D90_B_NOGB2001_1

List of similar pattern of amino acids derived from ASSAM search

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

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

(Homo sapiens) 		PF13374
(TPR_10)
PF13432
(TPR_16) 		5 LEU A 457
LEU A 460
LEU A 463
GLN A 382
LEU A 430
 None
 1.32A 3d90B-1fchA:
undetectable		 3d90B-1fchA:
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.
1kbl PYRUVATE PHOSPHATE
DIKINASE

([Clostridium]
symbiosum) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 LEU A 591
ASN A 592
LEU A 594
GLN A 598
LEU A 619
 None
 0.95A 3d90B-1kblA:
undetectable		 3d90B-1kblA:
14.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1osn THYMIDINE KINASE

(Human
alphaherpesvirus
3) 		PF00693
(Herpes_TK) 		5 LEU A 266
LEU A 263
MET A 149
LEU A 145
LEU A 158
 None
 1.31A 3d90B-1osnA:
undetectable		 3d90B-1osnA:
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.
1oyp RIBONUCLEASE PH

(Bacillus
subtilis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU A 215
LEU A 218
LEU A 221
LEU A 176
ARG A   2
 None
 1.21A 3d90B-1oypA:
undetectable		 3d90B-1oypA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p88 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		5 LEU A  54
LEU A  57
LEU A  60
LEU A  34
LEU A  41
 None
 1.30A 3d90B-1p88A:
undetectable		 3d90B-1p88A:
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.
1q47 SEMAPHORIN 3A

(Mus musculus) 		PF01403
(Sema) 		5 GLN A 500
LEU A 512
LEU A  32
MET A 480
TYR A 520
 None
 1.24A 3d90B-1q47A:
undetectable		 3d90B-1q47A:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qpo QUINOLINATE ACID
PHOSPHORIBOSYL
TRANSFERASE

(Mycobacterium
tuberculosis) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 ASN A  64
MET A 107
LEU A  56
LEU A  93
MET A  91
 None
 1.26A 3d90B-1qpoA:
undetectable		 3d90B-1qpoA:
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.
1vi6 30S RIBOSOMAL
PROTEIN S2P

(Archaeoglobus
fulgidus) 		PF00318
(Ribosomal_S2) 		5 LEU A  62
LEU A 174
LEU A 173
LEU A  51
LEU A 155
 None
 1.24A 3d90B-1vi6A:
undetectable		 3d90B-1vi6A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vqu ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE 2

(Nostoc sp. PCC
7120) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 LEU A  54
ASN A  58
LEU A  36
LEU A 201
MET A  70
 None
 1.32A 3d90B-1vquA:
undetectable		 3d90B-1vquA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 324
LEU A 327
MET A 362
ARG A 372
LEU A 401
 None
 0.78A 3d90B-1xb7A:
25.4		 3d90B-1xb7A:
26.52
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.
1xje RIBONUCLEOTIDE
REDUCTASE,
B12-DEPENDENT

(Thermotoga
maritima) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 LEU A 351
LEU A 354
LEU A 357
LEU A 391
TYR A 465
 None
 1.19A 3d90B-1xjeA:
undetectable		 3d90B-1xjeA:
17.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 701
ASN A 705
LEU A 707
GLN A 711
MET A 742
ARG A 752
 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)
 0.70A 3d90B-2ax9A:
34.1		 3d90B-2ax9A:
54.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 704
ASN A 705
LEU A 707
GLN A 711
MET A 742
ARG A 752
 BHM  A   1 (-4.0A)
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)
 0.58A 3d90B-2ax9A:
34.1		 3d90B-2ax9A:
54.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 707
GLN A 711
MET A 742
ARG A 752
MET A 787
 BHM  A   1 ( 4.2A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
BHM  A   1 (-3.6A)
 0.93A 3d90B-2ax9A:
34.1		 3d90B-2ax9A:
54.26
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.
2bco SUCCINYLGLUTAMATE
DESUCCINYLASE

(Vibrio
parahaemolyticus) 		PF04952
(AstE_AspA) 		5 LEU A 244
LEU A 241
LEU A 220
LEU A 216
MET A 218
 None
 1.13A 3d90B-2bcoA:
undetectable		 3d90B-2bcoA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bku IMPORTIN BETA-1
SUBUNIT

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 LEU B   9
ASN B  12
LEU B  10
LEU B  43
MET B   1
 None
 1.25A 3d90B-2bkuB:
undetectable		 3d90B-2bkuB:
16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bku IMPORTIN BETA-1
SUBUNIT

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 LEU B 199
LEU B 202
ASN B 203
LEU B 205
LEU B 248
 None
 0.98A 3d90B-2bkuB:
undetectable		 3d90B-2bkuB:
16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bnh RIBONUCLEASE
INHIBITOR

(Sus scrofa) 		PF13516
(LRR_6) 		5 LEU A 395
LEU A 389
ASN A 392
LEU A 390
LEU A 400
 None
 1.32A 3d90B-2bnhA:
undetectable		 3d90B-2bnhA:
21.55
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.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 265
LEU A 268
LEU A 271
MET A 306
ARG A 316
LEU A 345
 None
OHT  A 500 (-4.1A)
OHT  A 500 ( 4.4A)
OHT  A 500 (-3.9A)
OHT  A 500 (-3.8A)
OHT  A 500 (-4.3A)
 0.59A 3d90B-2gpvA:
25.4		 3d90B-2gpvA:
28.68
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.
2hf8 PROBABLE HYDROGENASE
NICKEL INCORPORATION
PROTEIN HYPB

(Methanocaldococcus
jannaschii) 		PF02492
(cobW) 		5 LEU A  28
ASN A  29
LEU A  27
LEU A 109
LEU A 116
 None
 1.11A 3d90B-2hf8A:
undetectable		 3d90B-2hf8A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ixm SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
REGULATORY SUBUNIT
B'

(Homo sapiens) 		PF03095
(PTPA) 		5 LEU A  80
LEU A  81
LEU A 189
ARG A 193
LEU A 163
 None
 1.27A 3d90B-2ixmA:
undetectable		 3d90B-2ixmA:
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.
2jva PEPTIDYL-TRNA
HYDROLASE DOMAIN
PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		PF00472
(RF-1) 		5 LEU A  72
LEU A  39
LEU A  17
LEU A   2
LEU A  94
 None
 1.17A 3d90B-2jvaA:
undetectable		 3d90B-2jvaA:
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.
2ola O-SUCCINYLBENZOIC
ACID SYNTHETASE

(Staphylococcus
aureus) 		PF13378
(MR_MLE_C) 		5 LEU A 184
LEU A 187
GLN A 191
LEU A 168
ARG A 160
 None
 1.09A 3d90B-2olaA:
undetectable		 3d90B-2olaA:
21.08
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) 		11 LEU A  29
LEU A  32
ASN A  33
LEU A  35
GLN A  39
MET A  70
LEU A  77
ARG A  80
LEU A 111
MET A 115
CYH A 205
 1CA  A 247 ( 3.6A)
1CA  A 247 (-4.0A)
1CA  A 247 (-2.9A)
1CA  A 247 ( 4.4A)
1CA  A 247 (-3.1A)
1CA  A 247 ( 3.8A)
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
None
1CA  A 247 ( 3.7A)
1CA  A 247 (-4.0A)
 0.66A 3d90B-2q3yA:
36.8		 3d90B-2q3yA:
63.92
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  35
LEU A  32
LEU A  29
LEU A  77
MET A 115
 1CA  A 247 ( 4.4A)
1CA  A 247 (-4.0A)
1CA  A 247 ( 3.6A)
1CA  A 247 ( 3.9A)
1CA  A 247 ( 3.7A)
 1.28A 3d90B-2q3yA:
36.8		 3d90B-2q3yA:
63.92
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.
2waa XYLAN ESTERASE,
PUTATIVE, AXE2C

(Cellvibrio
japonicus) 		PF13472
(Lipase_GDSL_2) 		5 LEU A 202
ASN A 201
GLN A 207
LEU A 259
TYR A 248
 None
 1.07A 3d90B-2waaA:
undetectable		 3d90B-2waaA:
22.56
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.
2wgh RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 LEU A 527
ASN A 528
LEU A 526
LEU A 578
LEU A 466
 None
 1.31A 3d90B-2wghA:
undetectable		 3d90B-2wghA:
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.
2whn PILUS ASSEMBLY
PROTEIN PILC

(Thermus
thermophilus) 		PF00482
(T2SSF) 		5 LEU A  78
LEU A 148
LEU A 151
LEU A  67
LEU A  91
 None
 1.21A 3d90B-2whnA:
undetectable		 3d90B-2whnA:
17.25
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.
3ahr ERO1-LIKE PROTEIN
ALPHA

(Homo sapiens) 		PF04137
(ERO1) 		5 LEU A 343
LEU A 344
ASN A 340
LEU A 443
LEU A  65
 None
 1.17A 3d90B-3ahrA:
undetectable		 3d90B-3ahrA:
21.71
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.
3b2r CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		5 LEU A 647
LEU A 644
LEU A 641
LEU A 595
MET A 590
 None
 1.32A 3d90B-3b2rA:
3.4		 3d90B-3b2rA:
22.66
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.
3bry TBUX

(Ralstonia
pickettii) 		PF03349
(Toluene_X) 		5 LEU A 169
LEU A 168
GLN A 129
LEU A 165
LEU A 328
 None
None
None
None
C8E  A 502 (-4.8A)
 1.20A 3d90B-3bryA:
undetectable		 3d90B-3bryA:
18.98
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.
3eap RHO
GTPASE-ACTIVATING
PROTEIN 11A

(Homo sapiens) 		PF00620
(RhoGAP) 		5 LEU A  15
LEU A  12
LEU A   9
LEU A 137
CYH A 161
 None
 1.18A 3d90B-3eapA:
undetectable		 3d90B-3eapA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3es5 PUTATIVE CAPSID
PROTEIN

(Penicillium
stoloniferum
virus F) 		no annotation 5 LEU A 272
LEU A 275
LEU A 300
LEU A 250
TYR A 258
 None
 1.08A 3d90B-3es5A:
undetectable		 3d90B-3es5A:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fm2 UNCHARACTERIZED
PROTEIN, DISTANTLY
RELATED TO A HEME
BINDING/DEGRADING
HEMS (PF05171)
FAMILY

(Trichormus
variabilis) 		PF06228
(ChuX_HutX) 		5 LEU A  20
LEU A  18
LEU A 100
LEU A 119
LEU A   9
 None
 1.20A 3d90B-3fm2A:
undetectable		 3d90B-3fm2A:
18.75
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.
3hjh TRANSCRIPTION-REPAIR
-COUPLING FACTOR

(Escherichia
coli) 		no annotation 5 LEU A 450
LEU A 449
LEU A 361
LEU A 378
LEU A 401
 None
 1.30A 3d90B-3hjhA:
undetectable		 3d90B-3hjhA:
21.11
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.
3hv1 POLAR AMINO ACID ABC
UPTAKE TRANSPORTER
SUBSTRATE BINDING
PROTEIN

(Streptococcus
thermophilus) 		PF00497
(SBP_bac_3) 		5 LEU A 194
LEU A 202
GLN A 132
LEU A 213
TYR A 222
 None
 1.28A 3d90B-3hv1A:
undetectable		 3d90B-3hv1A:
18.66
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.
3i6e MUCONATE
CYCLOISOMERASE I

(Ruegeria
pomeroyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  18
LEU A  20
LEU A 307
LEU A  15
TYR A  70
 None
 1.20A 3d90B-3i6eA:
undetectable		 3d90B-3i6eA:
18.46
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.
3i6t MUCONATE
CYCLOISOMERASE

(Jannaschia sp.
CCS1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  16
LEU A  18
LEU A 303
LEU A  13
TYR A  68
 None
 1.28A 3d90B-3i6tA:
undetectable		 3d90B-3i6tA:
18.16
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
LEU A 718
ASN A 719
LEU A 721
GLN A 725
MET A 756
LEU A 763
ARG A 766
MET A 801
TYR A 890
CYH A 891
 WOW  A   1 (-3.9A)
WOW  A   1 (-4.2A)
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 (-4.2A)
WOW  A   1 (-3.9A)
WOW  A   1 (-3.5A)
 0.55A 3d90B-3kbaA:
39.3		 3d90B-3kbaA:
100.00
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) 		7 LEU A 715
LEU A 721
MET A 756
LEU A 763
LEU A 797
TYR A 890
CYH A 891
 WOW  A   1 (-3.9A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.0A)
WOW  A   1 ( 4.5A)
WOW  A   1 (-3.9A)
WOW  A   1 (-3.5A)
 0.72A 3d90B-3kbaA:
39.3		 3d90B-3kbaA:
100.00
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) 		5 LEU A 721
LEU A 718
LEU A 715
LEU A 763
MET A 801
 WOW  A   1 ( 4.3A)
WOW  A   1 (-4.2A)
WOW  A   1 (-3.9A)
WOW  A   1 ( 4.0A)
WOW  A   1 (-4.2A)
 1.21A 3d90B-3kbaA:
39.3		 3d90B-3kbaA:
100.00
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.
3kn5 RIBOSOMAL PROTEIN S6
KINASE ALPHA-5

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 676
LEU A 667
LEU A 668
LEU A 687
MET A 525
 None
 1.30A 3d90B-3kn5A:
undetectable		 3d90B-3kn5A:
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.
3lnb N-ACETYLTRANSFERASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00797
(Acetyltransf_2) 		5 LEU A  72
ASN A  73
LEU A  75
LEU A  13
LEU A 225
 None
 1.22A 3d90B-3lnbA:
undetectable		 3d90B-3lnbA:
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.
3muq UNCHARACTERIZED
CONSERVED PROTEIN

(Vibrio
parahaemolyticus) 		PF12849
(PBP_like_2) 		5 LEU A  47
LEU A  46
GLN A 251
LEU A  31
MET A  81
 None
 1.33A 3d90B-3muqA:
undetectable		 3d90B-3muqA:
19.30
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.
3now UNC-45 PROTEIN,
SD10334P

(Drosophila
melanogaster) 		PF11701
(UNC45-central) 		5 LEU A 853
LEU A 850
LEU A 847
LEU A 841
LEU A 826
 None
 1.26A 3d90B-3nowA:
undetectable		 3d90B-3nowA:
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.
3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF03807
(F420_oxidored)
PF09130
(DUF1932) 		5 LEU A 282
LEU A 279
LEU A 217
ARG A 213
LEU A 224
 None
 1.30A 3d90B-3qsgA:
undetectable		 3d90B-3qsgA:
20.45
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT K

(Escherichia
coli) 		no annotation 5 LEU K  90
LEU K  28
ASN K  27
LEU K  35
LEU K  77
 None
 1.30A 3d90B-3rkoK:
undetectable		 3d90B-3rkoK:
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.
3rw7 NUCLEAR RNA EXPORT
FACTOR 1

(Homo sapiens) 		PF09162
(Tap-RNA_bind) 		5 LEU A 270
ASN A 271
LEU A 227
LEU A 257
MET A 283
 None
 1.33A 3d90B-3rw7A:
undetectable		 3d90B-3rw7A:
22.74
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
LEU A  32
ASN A  33
LEU A  35
GLN A  39
MET A  70
LEU A  77
ARG A  80
LEU A 111
MET A 115
CYH A 205
 1CA  A 249 ( 3.8A)
1CA  A 249 (-3.9A)
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)
None
1CA  A 249 (-3.6A)
1CA  A 249 (-4.0A)
 0.74A 3d90B-3ry9A:
36.3		 3d90B-3ry9A:
62.40
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  32
LEU A  96
LEU A  90
LEU A 201
MET A 115
 1CA  A 249 (-3.9A)
None
None
1CA  A 249 ( 4.2A)
1CA  A 249 (-3.6A)
 1.30A 3d90B-3ry9A:
36.3		 3d90B-3ry9A:
62.40
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 LEU A 273
ASN A 274
LEU A 237
LEU A 265
CYH A 276
 None
 1.12A 3d90B-3rysA:
undetectable		 3d90B-3rysA:
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.
3wnv GLYOXYLATE REDUCTASE

(Paecilomyces
sp.
'thermophila') 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 305
LEU A 308
ASN A 309
LEU A 311
LEU A  28
 None
 0.97A 3d90B-3wnvA:
undetectable		 3d90B-3wnvA:
21.65
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.
4am6 ACTIN-LIKE PROTEIN
ARP8

(Saccharomyces
cerevisiae) 		PF00022
(Actin) 		5 LEU A 536
LEU A 539
GLN A 543
LEU A 609
MET A 330
 None
 1.21A 3d90B-4am6A:
undetectable		 3d90B-4am6A:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4am9 CHAPERONE SYCD

(Yersinia
enterocolitica) 		PF07720
(TPR_3) 		5 LEU A  36
LEU A  39
LEU A  42
GLN A  46
CYH A  63
 None
 0.67A 3d90B-4am9A:
undetectable		 3d90B-4am9A:
21.01
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.
4ay9 FOLLICLE-STIMULATING
HORMONE RECEPTOR

(Homo sapiens) 		PF01462
(LRRNT)
PF12369
(GnHR_trans)
PF13306
(LRR_5) 		5 LEU X 177
ASN X 178
LEU X 200
LEU X 195
LEU X 148
 None
 1.29A 3d90B-4ay9X:
undetectable		 3d90B-4ay9X:
22.34
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.
4fgs PROBABLE
DEHYDROGENASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		5 LEU A  65
LEU A  68
LEU A  71
LEU A  85
LEU A 117
 None
 1.03A 3d90B-4fgsA:
undetectable		 3d90B-4fgsA:
22.22
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.
4g2c DYP2

(Amycolatopsis
sp. ATCC 39116) 		no annotation 5 LEU A 466
LEU A  57
ASN A  58
MET A  64
LEU A 141
 None
None
ACT  A 514 (-3.4A)
None
None
 1.29A 3d90B-4g2cA:
undetectable		 3d90B-4g2cA:
17.84
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.
4giw RUN AND SH3
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF02759
(RUN) 		5 LEU A 185
LEU A 128
ASN A 129
LEU A 127
LEU A 175
 None
 1.27A 3d90B-4giwA:
undetectable		 3d90B-4giwA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h09 HYPOTHETICAL LEUCINE
RICH REPEAT PROTEIN

(Eubacterium
ventriosum) 		PF13306
(LRR_5) 		5 LEU A 250
LEU A 273
LEU A 296
LEU A 289
TYR A 221
 None
 1.20A 3d90B-4h09A:
undetectable		 3d90B-4h09A:
21.79
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.
4h32 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 LEU A 175
LEU A 176
LEU A  66
LEU A  61
MET A 109
 None
 1.30A 3d90B-4h32A:
undetectable		 3d90B-4h32A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i5j SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
REGULATORY SUBUNIT
B'' SUBUNIT ALPHA

(Homo sapiens) 		PF13499
(EF-hand_7) 		5 LEU A 261
LEU A 258
LEU A 255
LEU A 184
LEU A 201
 None
 1.20A 3d90B-4i5jA:
undetectable		 3d90B-4i5jA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k17 LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A

(Mus musculus) 		PF13516
(LRR_6) 		5 LEU A 448
LEU A 445
LEU A 478
LEU A 466
LEU A 431
 None
 1.26A 3d90B-4k17A:
undetectable		 3d90B-4k17A:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4keg MALTOSE-BINDING
PERIPLASMIC/PALATE
LUNG AND NASAL
EPITHELIUM CLONE
FUSION PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF01273
(LBP_BPI_CETP)
PF13416
(SBP_bac_8) 		5 LEU A1065
LEU A1068
LEU A1071
LEU A1157
LEU A1116
 None
 1.19A 3d90B-4kegA:
undetectable		 3d90B-4kegA:
16.24
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.
4lw8 PUTATIVE EPIMERASE

(Burkholderia
cenocepacia) 		PF01370
(Epimerase) 		5 LEU A 124
LEU A 125
LEU A  84
LEU A 227
MET A  26
 None
 1.31A 3d90B-4lw8A:
undetectable		 3d90B-4lw8A:
19.09
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.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		5 LEU A 280
LEU A 283
LEU A 286
MET A 321
ARG A 331
 None
 0.65A 3d90B-4n1yA:
27.5		 3d90B-4n1yA:
29.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nzp ARGININOSUCCINATE
SYNTHASE

(Campylobacter
jejuni) 		PF00764
(Arginosuc_synth) 		5 LEU A 247
LEU A 250
ASN A 251
LEU A 253
LEU A 347
 None
 0.89A 3d90B-4nzpA:
undetectable		 3d90B-4nzpA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o5p UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF09994
(DUF2235) 		5 LEU A 205
LEU A 201
LEU A 151
LEU A 268
MET A 227
 None
 1.24A 3d90B-4o5pA:
undetectable		 3d90B-4o5pA:
14.87
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.
4oiv BILE ACID RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 422
LEU A 419
LEU A 416
GLN A 412
LEU A 441
 None
 1.21A 3d90B-4oivA:
16.2		 3d90B-4oivA:
25.98
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.
4our PHYTOCHROME B

(Arabidopsis
thaliana) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		5 LEU B 205
LEU B 187
ASN B 188
LEU B 186
LEU B 174
 None
 1.28A 3d90B-4ourB:
undetectable		 3d90B-4ourB:
18.74
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
LEU A 566
GLN A 570
MET A 601
LEU A 608
ARG A 611
MET A 646
TYR A 735
CYH A 736
 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 (-4.4A)
MOF  A 801 (-4.8A)
MOF  A 801 (-3.7A)
 0.63A 3d90B-4p6wA:
35.7		 3d90B-4p6wA:
54.47
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 LEU A 563
ASN A 564
LEU A 566
GLN A 570
MET A 601
LEU A 608
ARG A 611
MET A 646
CYH A 736
 MOF  A 801 (-3.9A)
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 (-4.4A)
MOF  A 801 (-3.7A)
 0.65A 3d90B-4p6wA:
35.7		 3d90B-4p6wA:
54.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qdh VARIABLE LYMPHOCYTE
RECEPTOR B,
TOLL-LIKE RECEPTOR 9
CHIMERA

(Eptatretus
burgeri;
Mus musculus) 		PF01462
(LRRNT)
PF11921
(DUF3439)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 LEU A  83
LEU A 108
LEU A 132
LEU A 100
CYH A  80
 None
 1.23A 3d90B-4qdhA:
undetectable		 3d90B-4qdhA:
22.45
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.
4u66 PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRA

(Alkaliphilus
oremlandii) 		PF01625
(PMSR) 		5 LEU A 148
LEU A 142
LEU A 167
LEU A 202
MET A 188
 None
None
SO4  A 301 (-4.1A)
None
None
 1.28A 3d90B-4u66A:
undetectable		 3d90B-4u66A:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u8u GLOBIN C CHAIN

(Glossoscolex
paulistus) 		PF00042
(Globin) 		5 LEU C  70
LEU C  73
ASN C  74
LEU C  76
LEU C  20
 None
None
None
HEM  C 201 ( 4.4A)
None
 1.33A 3d90B-4u8uC:
undetectable		 3d90B-4u8uC:
21.76
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) 		10 LEU A 766
LEU A 769
ASN A 770
LEU A 772
GLN A 776
MET A 807
LEU A 814
ARG A 817
LEU A 848
CYH A 942
 CV7  A1987 (-3.6A)
CV7  A1987 (-4.1A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.5A)
CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 4.4A)
CV7  A1987 (-4.0A)
 0.69A 3d90B-4udbA:
34.8		 3d90B-4udbA:
52.21
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) 		10 LEU A 766
LEU A 769
ASN A 770
LEU A 772
GLN A 776
MET A 807
LEU A 814
ARG A 817
MET A 852
CYH A 942
 CV7  A1987 (-3.6A)
CV7  A1987 (-4.1A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.5A)
CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.7A)
CV7  A1987 (-4.0A)
 0.69A 3d90B-4udbA:
34.8		 3d90B-4udbA:
52.21
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
LEU A 769
ASN A 770
LEU A 827
LEU A 848
CYH A 942
 CV7  A1987 (-3.6A)
CV7  A1987 (-4.1A)
CV7  A1987 (-3.1A)
None
CV7  A1987 ( 4.4A)
CV7  A1987 (-4.0A)
 1.47A 3d90B-4udbA:
34.8		 3d90B-4udbA:
52.21
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.
4uvk ZYRO0D15994P

(Zygosaccharomyces
rouxii) 		PF08514
(STAG) 		5 LEU A 387
LEU A 390
LEU A 393
LEU A 441
LEU A 435
 None
 1.07A 3d90B-4uvkA:
undetectable		 3d90B-4uvkA:
15.36
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.
5avm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 LEU A 119
LEU A 118
LEU A  79
LEU A  71
LEU A 110
 None
 1.20A 3d90B-5avmA:
undetectable		 3d90B-5avmA:
18.58
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.
5gz1 MESO-DIAMINOPIMELATE
D-DEHYDROGENASE

(Ureibacillus
thermosphaericus) 		PF01113
(DapB_N)
PF16654
(DAPDH_C) 		5 LEU A 127
LEU A 130
ASN A 131
LEU A 133
LEU A 313
 None
 1.14A 3d90B-5gz1A:
undetectable		 3d90B-5gz1A:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Homo sapiens) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 LEU A1124
LEU A1127
LEU A1411
LEU A1401
MET A1405
 None
 1.26A 3d90B-5iy9A:
undetectable		 3d90B-5iy9A:
10.25
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.
5jqe SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN,CASPASE-8
CHIMERA

(Escherichia
coli) 		PF01335
(DED)
PF13416
(SBP_bac_8) 		5 LEU A1059
LEU A1062
LEU A1048
LEU A1022
LEU A1075
 None
 1.27A 3d90B-5jqeA:
undetectable		 3d90B-5jqeA:
18.17
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.
5jqk PEPTIDASE, PUTATIVE

(Plasmodium
falciparum) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		5 LEU A 495
LEU A 492
LEU A 489
GLN A 485
LEU A 747
 None
 1.15A 3d90B-5jqkA:
undetectable		 3d90B-5jqkA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5krw FLAGELLAR PROTEIN
FLIT,FLAGELLAR
HOOK-ASSOCIATED
PROTEIN 2 FUSION

(Salmonella
enterica) 		PF05400
(FliT) 		5 LEU A  21
LEU A  17
LEU A  41
LEU A 443
MET A 446
 None
 1.17A 3d90B-5krwA:
undetectable		 3d90B-5krwA:
22.52
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.
5m45 ACETONE CARBOXYLASE
BETA SUBUNIT

(Xanthobacter
autotrophicus) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 LEU B 340
LEU B 338
GLN B 113
LEU B 135
TYR B 219
 None
 1.11A 3d90B-5m45B:
undetectable		 3d90B-5m45B:
16.22
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 9 LEU A 766
LEU A 769
ASN A 770
GLN A 776
MET A 807
LEU A 814
ARG A 817
LEU A 848
CYH A 942
 ECV  A1101 ( 3.9A)
ECV  A1101 (-4.7A)
ECV  A1101 (-3.1A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
None
ECV  A1101 (-4.0A)
 0.78A 3d90B-5mwpA:
36.0		 3d90B-5mwpA:
38.75
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 9 LEU A 766
LEU A 769
ASN A 770
LEU A 772
GLN A 776
MET A 807
LEU A 814
ARG A 817
CYH A 942
 ECV  A1101 ( 3.9A)
ECV  A1101 (-4.7A)
ECV  A1101 (-3.1A)
ECV  A1101 ( 3.9A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-4.0A)
 0.59A 3d90B-5mwpA:
36.0		 3d90B-5mwpA:
38.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 6 LEU A 772
GLN A 776
MET A 807
LEU A 814
ARG A 817
MET A 852
 ECV  A1101 ( 3.9A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.7A)
 1.33A 3d90B-5mwpA:
36.0		 3d90B-5mwpA:
38.75
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.
5o0j ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
horikoshii) 		no annotation 5 LEU A 256
LEU A 259
ASN A 260
LEU A 262
ARG A  26
 None
 1.31A 3d90B-5o0jA:
undetectable		 3d90B-5o0jA:
14.83
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 5 LEU A 633
LEU A 632
MET A 695
LEU A 556
MET A 578
 None
 1.30A 3d90B-5ot1A:
undetectable		 3d90B-5ot1A:
13.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oy0 PHOTOSYSTEM I
REACTION CENTER
SUBUNIT XI

(Synechocystis
sp. PCC 6803) 		no annotation 5 LEU 0 141
LEU 0 142
GLN 0  77
LEU 0  67
TYR 0  59
 CLA  0 203 ( 4.2A)
CLA  0 203 (-4.6A)
None
CLA  0 203 (-4.1A)
BCR  0 205 (-4.0A)
 1.29A 3d90B-5oy00:
undetectable		 3d90B-5oy00:
20.79
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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 LEU A 294
LEU A 291
LEU A 566
LEU A 640
MET A 562
 None
 1.14A 3d90B-5td7A:
undetectable		 3d90B-5td7A:
16.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 298
LEU A 301
MET A 336
LEU A 343
ARG A 346
 EST  A 601 (-4.1A)
EST  A 601 ( 4.3A)
EST  A 601 ( 3.7A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
 0.48A 3d90B-5toaA:
25.1		 3d90B-5toaA:
30.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 8 LEU A 559
ASN A 560
LEU A 562
GLN A 566
MET A 597
LEU A 604
ARG A 607
MET A 642
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 ( 4.8A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.77A 3d90B-5uc1A:
24.4		 3d90B-5uc1A:
58.75
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 LEU A  32
ASN A  33
LEU A  35
GLN A  39
MET A  70
LEU A  77
ARG A  80
MET A 115
CYH A 205
 1TA  A 301 (-3.5A)
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 ( 2.8A)
1TA  A 301 (-3.6A)
 0.67A 3d90B-5ufsA:
36.4		 3d90B-5ufsA:
57.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vqd BETA-GLUCOSIDE
PHOSPHORYLASE BGLX

(unidentified) 		no annotation 5 LEU A  87
LEU A  88
LEU A 189
LEU A 284
MET A 315
 None
 1.33A 3d90B-5vqdA:
undetectable		 3d90B-5vqdA:
16.18
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.
5ykb TREHALOSE SYNTHASE

(Deinococcus
radiodurans) 		no annotation 5 LEU A 450
LEU A 451
LEU A 444
GLN A 441
MET A 405
 None
 1.20A 3d90B-5ykbA:
undetectable		 3d90B-5ykbA:
17.19
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.
5yv5 ATPASE RIL

(Pyrococcus
furiosus) 		no annotation 5 LEU A 226
LEU A 182
LEU A 198
LEU A 256
TYR A 232
 None
 1.29A 3d90B-5yv5A:
undetectable		 3d90B-5yv5A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zvs VP2

(Aquareovirus C) 		no annotation 5 LEU 2 235
LEU 2 238
LEU 2 241
LEU 2  49
TYR 2  46
 None
 1.29A 3d90B-5zvs2:
undetectable		 3d90B-5zvs2:
13.39
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.
6au1 PUTATIVE HEMIN
STORAGE PROTEIN

(Bordetella
bronchiseptica) 		no annotation 5 LEU A 381
ASN A 378
LEU A 461
LEU A 529
LEU A 443
 None
 1.32A 3d90B-6au1A:
undetectable		 3d90B-6au1A:
15.73