SIMILAR PATTERNS OF AMINO ACIDS FOR 2JFA_B_RALB600_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.
1bjn PHOSPHOSERINE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00266
(Aminotran_5) 		5 ALA A  22
GLU A  25
LEU A  26
GLY A 201
LEU A  14
 None
 1.12A 2jfaB-1bjnA:
undetectable		 2jfaB-1bjnA:
19.67
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.
1c0n PROTEIN (CSDB
PROTEIN)

(Escherichia
coli) 		PF00266
(Aminotran_5) 		5 ALA A 380
LEU A 382
LEU A  27
GLY A 397
LEU A 398
 None
 1.12A 2jfaB-1c0nA:
undetectable		 2jfaB-1c0nA:
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.
1nd7 WW DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00632
(HECT) 		5 ALA A 775
ASP A 778
LEU A 777
LEU A 630
GLY A 768
 None
 1.11A 2jfaB-1nd7A:
undetectable		 2jfaB-1nd7A:
21.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 ALA A 350
ASP A 351
GLU A 353
LEU A 354
TRP A 383
LEU A 387
LEU A 391
ARG A 394
 EST  A   1 ( 3.7A)
None
EST  A   1 (-2.8A)
None
None
EST  A   1 (-4.0A)
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
 0.85A 2jfaB-1pcgA:
32.8		 2jfaB-1pcgA:
98.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 ALA A 350
ASP A 351
GLU A 353
TRP A 383
LEU A 387
LEU A 391
ARG A 394
LEU A 525
 EST  A   1 ( 3.7A)
None
EST  A   1 (-2.8A)
None
EST  A   1 (-4.0A)
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 (-3.6A)
 0.81A 2jfaB-1pcgA:
32.8		 2jfaB-1pcgA:
98.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		10 MET A 343
ALA A 350
GLU A 353
LEU A 354
TRP A 383
LEU A 387
LEU A 391
ARG A 394
MET A 421
GLY A 521
 EST  A   1 ( 4.0A)
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
None
None
EST  A   1 (-4.0A)
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.3A)
EST  A   1 ( 4.1A)
 0.61A 2jfaB-1pcgA:
32.8		 2jfaB-1pcgA:
98.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		10 MET A 343
ALA A 350
GLU A 353
TRP A 383
LEU A 387
LEU A 391
ARG A 394
MET A 421
GLY A 521
LEU A 525
 EST  A   1 ( 4.0A)
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
None
EST  A   1 (-4.0A)
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.3A)
EST  A   1 ( 4.1A)
EST  A   1 (-3.6A)
 0.68A 2jfaB-1pcgA:
32.8		 2jfaB-1pcgA:
98.70
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.
1sgv TRNA PSEUDOURIDINE
SYNTHASE B

(Mycobacterium
tuberculosis) 		PF01509
(TruB_N)
PF09142
(TruB_C)
PF16198
(TruB_C_2) 		6 ALA A 231
GLU A 230
LEU A 234
LEU A 226
LEU A 224
LEU A  63
 None
 1.15A 2jfaB-1sgvA:
undetectable		 2jfaB-1sgvA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ALA A 102
LEU A 147
ARG A  27
GLY A 137
LEU A 156
 None
None
None
UMA  A 963 (-4.3A)
None
 1.01A 2jfaB-1uagA:
undetectable		 2jfaB-1uagA:
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.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 343
TRP A 376
LEU A 380
ARG A 387
GLY A 500
 MEI  A1001 (-3.3A)
None
MEI  A1001 (-3.8A)
MEI  A1001 (-3.6A)
None
 0.84A 2jfaB-1uhlA:
22.6		 2jfaB-1uhlA:
28.10
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.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 343
TRP A 376
LEU A 380
ARG A 387
LEU A 507
 MEI  A1001 (-3.3A)
None
MEI  A1001 (-3.8A)
MEI  A1001 (-3.6A)
MEI  A1001 (-4.6A)
 0.72A 2jfaB-1uhlA:
22.6		 2jfaB-1uhlA:
28.10
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.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 347
TRP A 376
LEU A 380
ARG A 387
GLY A 500
 None
None
MEI  A1001 (-3.8A)
MEI  A1001 (-3.6A)
None
 0.91A 2jfaB-1uhlA:
22.6		 2jfaB-1uhlA:
28.10
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.
1uyv ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF01039
(Carboxyl_trans) 		5 ALA A1908
ASP A1906
LEU A1766
GLY A1758
LEU A1777
 None
 1.10A 2jfaB-1uyvA:
undetectable		 2jfaB-1uyvA:
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.
1v6c ALKALINE SERINE
PROTEASE

(Pseudoalteromonas
sp. AS-11) 		PF00082
(Peptidase_S8)
PF02225
(PA) 		5 ALA A 426
ASP A 429
LEU A 428
GLY A  12
LEU A  16
 None
 1.10A 2jfaB-1v6cA:
undetectable		 2jfaB-1v6cA:
17.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ASP A 329
GLU A 331
TRP A 361
LEU A 365
ARG A 372
 None
 1.00A 2jfaB-1xb7A:
24.8		 2jfaB-1xb7A:
34.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 GLU A 331
TRP A 361
LEU A 365
ARG A 372
GLY A 489
 None
 0.77A 2jfaB-1xb7A:
24.8		 2jfaB-1xb7A:
34.36
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.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		5 ALA A 246
ASP A 247
LEU A 283
ARG A 290
LEU A 410
 9CR  A 201 (-3.6A)
None
9CR  A 201 ( 4.1A)
9CR  A 201 (-2.8A)
9CR  A 201 ( 4.8A)
 1.09A 2jfaB-1xiuA:
22.9		 2jfaB-1xiuA:
27.17
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.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		6 ALA A 246
LEU A 250
TRP A 279
LEU A 283
ARG A 290
GLY A 403
 9CR  A 201 (-3.6A)
None
None
9CR  A 201 ( 4.1A)
9CR  A 201 (-2.8A)
None
 0.89A 2jfaB-1xiuA:
22.9		 2jfaB-1xiuA:
27.17
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.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		5 ALA A 246
TRP A 279
LEU A 283
ARG A 290
LEU A 410
 9CR  A 201 (-3.6A)
None
9CR  A 201 ( 4.1A)
9CR  A 201 (-2.8A)
9CR  A 201 ( 4.8A)
 0.82A 2jfaB-1xiuA:
22.9		 2jfaB-1xiuA:
27.17
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.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 272
LEU A 276
TRP A 305
ARG A 316
GLY A 429
 9CR  A 801 (-3.5A)
None
None
9CR  A 801 (-2.6A)
None
 0.97A 2jfaB-1xlsA:
22.6		 2jfaB-1xlsA:
26.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 272
TRP A 305
LEU A 309
ARG A 316
GLY A 429
 9CR  A 801 (-3.5A)
None
9CR  A 801 (-4.2A)
9CR  A 801 (-2.6A)
None
 0.95A 2jfaB-1xlsA:
22.6		 2jfaB-1xlsA:
26.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 272
TRP A 305
LEU A 309
ARG A 316
LEU A 436
 9CR  A 801 (-3.5A)
None
9CR  A 801 (-4.2A)
9CR  A 801 (-2.6A)
9CR  A 801 (-4.7A)
 0.85A 2jfaB-1xlsA:
22.6		 2jfaB-1xlsA:
26.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xqw PROLINE
IMINOPEPTIDASE

(Thermoplasma
acidophilum) 		PF00561
(Abhydrolase_1) 		5 ALA A  86
GLU A  85
LEU A  89
GLY A 103
LEU A 101
 None
 1.00A 2jfaB-1xqwA:
undetectable		 2jfaB-1xqwA:
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.
1xss FLUORESCENT PROTEIN

(Favia favus) 		PF01353
(GFP) 		5 GLU A 214
ARG A  66
MET A  14
GLY A  27
LEU A  42
 DYG  A  64 ( 3.7A)
DYG  A  64 ( 2.9A)
None
None
None
 1.08A 2jfaB-1xssA:
undetectable		 2jfaB-1xssA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yp0 NUCLEAR RECEPTOR
SUBFAMILY 5, GROUP
A, MEMBER 1

(Mus musculus) 		PF00104
(Hormone_recep) 		5 ALA A 270
ASP A 271
LEU A 307
ARG A 314
LEU A 438
 PEF  A 201 ( 4.4A)
None
PEF  A 201 (-4.0A)
None
None
 0.98A 2jfaB-1yp0A:
21.5		 2jfaB-1yp0A:
28.94
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.
1zb7 NEUROTOXIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 ALA A 361
GLU A 357
LEU A 360
LEU A 226
GLY A 396
 None
 1.05A 2jfaB-1zb7A:
undetectable		 2jfaB-1zb7A:
17.39
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.
1zl6 BOTULINUM NEUROTOXIN
TYPE E

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		6 ALA A 339
GLU A 335
LEU A 338
LEU A 207
ARG A 347
GLY A 373
 None
 1.42A 2jfaB-1zl6A:
undetectable		 2jfaB-1zl6A:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2btj GREEN TO RED
PHOTOCONVERTIBLE
GPF-LIKE PROTEIN
EOSFP

(Lobophyllia
hemprichii) 		PF01353
(GFP) 		5 GLU A 212
ARG A  66
MET A  14
GLY A  27
LEU A  42
 IEY  A  64 ( 3.6A)
IEY  A  64 ( 3.0A)
NFA  A  61 ( 3.7A)
None
NFA  A  61 ( 4.3A)
 1.05A 2jfaB-2btjA:
undetectable		 2jfaB-2btjA:
19.32
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.
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca) 		PF08841
(DDR) 		5 ALA A 536
LEU A 435
LEU A 333
GLY A 415
LEU A 414
 None
None
None
ADP  A1001 (-3.6A)
None
 1.08A 2jfaB-2d0oA:
undetectable		 2jfaB-2d0oA:
18.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 ALA A 272
ASP A 273
GLU A 275
LEU A 276
TRP A 305
LEU A 309
ARG A 316
 OHT  A 500 (-3.5A)
OHT  A 500 (-3.1A)
OHT  A 500 (-2.6A)
OHT  A 500 (-4.9A)
None
OHT  A 500 ( 4.0A)
OHT  A 500 (-3.8A)
 0.60A 2jfaB-2gpvA:
26.2		 2jfaB-2gpvA:
32.00
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.
2gw3 KAEDE

(Trachyphyllia
geoffroyi) 		PF01353
(GFP) 		5 GLU A 212
ARG A  66
MET A  14
GLY A  27
LEU A  42
 CR8  A  63 ( 3.6A)
CR8  A  63 ( 3.0A)
None
None
None
 1.08A 2jfaB-2gw3A:
undetectable		 2jfaB-2gw3A:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gw4 KAEDE

(Trachyphyllia
geoffroyi) 		PF01353
(GFP) 		5 GLU B 212
ARG B  66
MET A  14
GLY A  27
LEU A  42
 RC7  B  63 ( 3.5A)
RC7  B  63 ( 3.0A)
NFA  A  61 ( 3.7A)
None
NFA  A  61 ( 4.3A)
 1.08A 2jfaB-2gw4B:
undetectable		 2jfaB-2gw4B:
18.49
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.
2i44 SERINE-THREONINE
PHOSPHATASE 2C

(Toxoplasma
gondii) 		PF00481
(PP2C) 		5 ALA A 127
ASP A 128
GLU A 130
LEU A 131
GLY A  64
 None
 1.11A 2jfaB-2i44A:
undetectable		 2jfaB-2i44A:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2it2 UPF0130 PROTEIN
PH1069

(Pyrococcus
horikoshii) 		PF02676
(TYW3) 		5 ALA A  90
GLU A  89
LEU A  88
GLY A 161
LEU A  99
 None
 1.11A 2jfaB-2it2A:
undetectable		 2jfaB-2it2A:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nux 2-KETO-3-DEOXYGLUCON
ATE/2-KETO-3-DEOXY-6
-PHOSPHO GLUCONATE
ALDOLASE

(Sulfolobus
acidocaldarius) 		PF00701
(DHDPS) 		5 ALA A 269
GLU A 268
LEU A 272
LEU A 264
GLY A 255
 None
 1.09A 2jfaB-2nuxA:
undetectable		 2jfaB-2nuxA:
24.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ASP A 351
GLU A 353
LEU A 387
ARG A 394
LEU A 525
 None
EST  A 596 (-2.7A)
EST  A 596 ( 4.2A)
EST  A 596 (-4.0A)
EST  A 596 (-3.6A)
 1.06A 2jfaB-2ocfA:
31.6		 2jfaB-2ocfA:
91.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 MET A 343
ALA A 350
GLU A 353
TRP A 383
LEU A 387
ARG A 394
GLY A 521
LEU A 525
 EST  A 596 (-4.8A)
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
None
EST  A 596 ( 4.2A)
EST  A 596 (-4.0A)
EST  A 596 ( 4.0A)
EST  A 596 (-3.6A)
 0.75A 2jfaB-2ocfA:
31.6		 2jfaB-2ocfA:
91.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 MET A 343
ALA A 350
GLU A 353
TRP A 383
LEU A 387
LEU A 391
ARG A 394
MET A 421
GLY A 521
 EST  A 596 (-4.8A)
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
None
EST  A 596 ( 4.2A)
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 (-4.5A)
EST  A 596 ( 4.0A)
 0.56A 2jfaB-2ocfA:
31.6		 2jfaB-2ocfA:
91.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 MET A 343
GLU A 353
LEU A 354
TRP A 383
LEU A 387
LEU A 391
ARG A 394
MET A 421
GLY A 521
 EST  A 596 (-4.8A)
EST  A 596 (-2.7A)
None
None
EST  A 596 ( 4.2A)
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 (-4.5A)
EST  A 596 ( 4.0A)
 0.72A 2jfaB-2ocfA:
31.6		 2jfaB-2ocfA:
91.67
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.
2pzk PUTATIVE NUCLEOTIDE
SUGAR EPIMERASE/
DEHYDRATASE

(Bordetella
bronchiseptica) 		PF01370
(Epimerase) 		5 MET A 201
ALA A 208
ASP A 209
LEU A 212
LEU A 112
 None
 1.08A 2jfaB-2pzkA:
undetectable		 2jfaB-2pzkA:
25.43
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.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		5 ALA A  36
TRP A  69
LEU A  77
ARG A  80
MET A 108
 1CA  A 247 (-3.6A)
None
1CA  A 247 ( 3.9A)
1CA  A 247 (-3.8A)
1CA  A 247 (-3.9A)
 0.63A 2jfaB-2q3yA:
24.3		 2jfaB-2q3yA:
26.71
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.
2vzx GREEN FLUORESCENT
PROTEIN

(Dendronephthya
sp. SSAL-2002) 		PF01353
(GFP) 		5 GLU A 211
ARG A  66
MET A  14
GLY A  27
LEU A  42
 CR8  A  64 ( 3.6A)
CR8  A  64 ( 4.3A)
None
None
None
 0.86A 2jfaB-2vzxA:
undetectable		 2jfaB-2vzxA:
20.58
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.
2x64 GLUTATHIONE-S-TRANSF
ERASE

(Xylella
fastidiosa) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 ALA A 198
GLU A 202
LEU A 199
LEU A  12
GLY A 157
 None
 0.97A 2jfaB-2x64A:
undetectable		 2jfaB-2x64A:
21.40
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.
2y35 LD22664P

(Drosophila
melanogaster) 		PF03159
(XRN_N) 		5 ALA A 942
LEU A 945
LEU A 916
GLY A 887
LEU A 886
 None
 1.01A 2jfaB-2y35A:
undetectable		 2jfaB-2y35A:
11.96
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.
3a7k HALORHODOPSIN

(Natronomonas
pharaonis) 		PF01036
(Bac_rhodopsin) 		5 TRP A 121
LEU A 125
LEU A 129
GLY A  84
LEU A  89
 None
None
L1P  A 293 ( 4.9A)
L1P  A 293 ( 4.5A)
L1P  A 293 (-4.4A)
 1.05A 2jfaB-3a7kA:
undetectable		 2jfaB-3a7kA:
23.95
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.
3adf MONOMERIC AZAMI
GREEN

(Galaxea
fascicularis) 		PF01353
(GFP) 		5 GLU A 211
ARG A  66
MET A  14
GLY A  27
LEU A  42
 CRQ  A  64 ( 4.0A)
CRQ  A  64 ( 3.8A)
None
None
None
 0.92A 2jfaB-3adfA:
undetectable		 2jfaB-3adfA:
20.15
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.
3b5n PROTEIN TRANSPORT
PROTEIN SEC9
SYNAPTOBREVIN
HOMOLOG 1

(Saccharomyces
cerevisiae) 		PF00957
(Synaptobrevin)
no annotation 		5 MET C 482
ALA C 489
ASP C 490
GLY A  73
LEU D 640
 None
 1.08A 2jfaB-3b5nC:
undetectable		 2jfaB-3b5nC:
13.15
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.
3bmb REGULATOR OF
NUCLEOSIDE
DIPHOSPHATE KINASE

(Escherichia
coli) 		PF01272
(GreA_GreB)
PF14760
(Rnk_N) 		5 ALA A  36
ASP A  39
GLU A  37
LEU A  38
GLY A  27
 None
 1.12A 2jfaB-3bmbA:
undetectable		 2jfaB-3bmbA:
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.
3clj PROTEIN NRD1

(Saccharomyces
cerevisiae) 		PF04818
(CTD_bind) 		5 ALA A 112
ASP A 111
LEU A 108
LEU A  66
GLY A  23
 None
 0.82A 2jfaB-3cljA:
undetectable		 2jfaB-3cljA:
19.60
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.
3cux MALATE SYNTHASE

(Bacillus
anthracis) 		PF01274
(Malate_synthase) 		5 ALA A 504
GLU A 503
LEU A 507
LEU A 429
GLY A 433
 None
 0.92A 2jfaB-3cuxA:
undetectable		 2jfaB-3cuxA:
18.09
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.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		6 ALA A 272
LEU A 276
TRP A 305
LEU A 309
ARG A 316
GLY A 429
 9CR  A7223 (-4.2A)
None
None
9CR  A7223 ( 4.4A)
9CR  A7223 (-3.7A)
None
 0.88A 2jfaB-3dzuA:
22.3		 2jfaB-3dzuA:
20.37
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.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		6 ALA A 272
LEU A 276
TRP A 305
LEU A 309
ARG A 316
LEU A 436
 9CR  A7223 (-4.2A)
None
None
9CR  A7223 ( 4.4A)
9CR  A7223 (-3.7A)
9CR  A7223 ( 4.7A)
 0.87A 2jfaB-3dzuA:
22.3		 2jfaB-3dzuA:
20.37
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.
3e13 PUTATIVE IRON-UPTAKE
ABC TRANSPORT
SYSTEM,PERIPLASMIC
IRON-BINDING PROTEIN

(Campylobacter
jejuni) 		PF13343
(SBP_bac_6) 		5 ALA X  17
ASP X  18
GLU X  20
GLY X 205
LEU X 206
 None
 1.11A 2jfaB-3e13X:
undetectable		 2jfaB-3e13X:
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.
3f7c PROTEIN OF UNKNOWN
FUNCTION (DUF416)

(Marinobacter
hydrocarbonoclasticus) 		PF04222
(DUF416) 		5 ALA A  26
GLU A  27
LEU A  23
LEU A  52
LEU A  75
 None
 1.12A 2jfaB-3f7cA:
undetectable		 2jfaB-3f7cA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gsi N,N-DIMETHYLGLYCINE
OXIDASE

(Arthrobacter
globiformis) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		5 MET A 723
ALA A 720
LEU A 717
GLY A 548
LEU A 543
 None
 1.09A 2jfaB-3gsiA:
undetectable		 2jfaB-3gsiA:
14.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hjz TRANSALDOLASE B

(Prochlorococcus
marinus) 		PF00923
(TAL_FSA) 		5 ALA A 309
GLU A 312
LEU A 313
LEU A  40
GLY A  19
 NA  A 340 (-3.4A)
None
None
None
None
 0.98A 2jfaB-3hjzA:
undetectable		 2jfaB-3hjzA:
22.67
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.
3m9v FAD-DEPENDENT
OXIDOREDUCTASE

(Actinomadura
kijaniata) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A  88
LEU A  14
ARG A 306
GLY A  22
LEU A  25
 None
 1.04A 2jfaB-3m9vA:
undetectable		 2jfaB-3m9vA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s47 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Clostridium
beijerinckii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  66
ASP A  65
LEU A  99
GLY A 104
LEU A 106
 None
 1.04A 2jfaB-3s47A:
undetectable		 2jfaB-3s47A:
18.52
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.
3s9v ABIETADIENE
SYNTHASE,
CHLOROPLASTIC

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ALA A 240
GLU A 244
LEU A 242
ARG A 147
GLY A 233
 None
 1.01A 2jfaB-3s9vA:
undetectable		 2jfaB-3s9vA:
14.80
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.
3tx7 NUCLEAR RECEPTOR
SUBFAMILY 5 GROUP A
MEMBER 2

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 ALA B 349
ASP B 350
LEU B 353
LEU B 386
ARG B 393
LEU B 517
 P6L  B 100 ( 3.9A)
None
None
P6L  B 100 (-3.8A)
None
P6L  B 100 (-4.1A)
 1.18A 2jfaB-3tx7B:
19.2		 2jfaB-3tx7B:
23.25
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.
3ugv ENOLASE

(alpha
proteobacterium
BAL199) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 329
ASP A 330
LEU A  35
MET A 110
LEU A 354
 None
 1.09A 2jfaB-3ugvA:
undetectable		 2jfaB-3ugvA:
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.
3wky PROPHENOLOXIDASE B

(Marsupenaeus
japonicus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 ALA A 341
LEU A 342
LEU A 304
GLY A 311
LEU A 323
 None
 1.11A 2jfaB-3wkyA:
undetectable		 2jfaB-3wkyA:
15.33
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.
3zul FLUORESCENT PROTEIN
DRONPA

(Echinophyllia
sp. SC22) 		PF01353
(GFP) 		5 GLU A 211
ARG A  66
MET A  14
GLY A  27
LEU A  42
 GYC  A  63 ( 3.5A)
GYC  A  63 ( 2.9A)
None
None
None
 1.11A 2jfaB-3zulA:
undetectable		 2jfaB-3zulA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d1d HYDANTOIN TRANSPORT
PROTEIN

(Microbacterium
liquefaciens) 		PF02133
(Transp_cyt_pur) 		5 MET A 214
ALA A 367
LEU A 366
LEU A 370
GLY A 433
 None
 1.09A 2jfaB-4d1dA:
undetectable		 2jfaB-4d1dA:
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.
4dxo LEA X(6) GFP-LIKE
PROTEINS

(synthetic
construct) 		PF01353
(GFP) 		5 GLU A 211
ARG A  66
MET A  14
GLY A  27
LEU A  42
 CR8  A  63 ( 4.0A)
CR8  A  63 ( 3.1A)
None
None
None
 1.11A 2jfaB-4dxoA:
undetectable		 2jfaB-4dxoA:
22.88
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.
4efi 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
SYNTHASE

(Paraburkholderia
xenovorans) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ALA A 137
LEU A 138
LEU A 155
LEU A  94
GLY A 180
 None
 1.01A 2jfaB-4efiA:
undetectable		 2jfaB-4efiA:
21.15
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.
4hnl MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Enterococcus
gallinarum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  64
ASP A  63
LEU A  97
GLY A 102
LEU A 104
 None
 1.04A 2jfaB-4hnlA:
undetectable		 2jfaB-4hnlA:
21.09
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.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 6 ALA D 272
LEU D 276
TRP D 305
LEU D 309
ARG D 316
GLY D 429
 None
 0.94A 2jfaB-4j5xD:
21.2		 2jfaB-4j5xD:
25.26
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.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 5 ALA D 272
TRP D 305
LEU D 309
ARG D 316
LEU D 436
 None
 0.80A 2jfaB-4j5xD:
21.2		 2jfaB-4j5xD:
25.26
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.
4jyl ENOYL-COA HYDRATASE

(Thermoplasma
volcanium) 		PF00378
(ECH_1) 		6 ALA A 168
GLU A 167
LEU A 171
LEU A 163
GLY A 105
LEU A 108
 None
None
None
None
CL  A 301 (-3.6A)
None
 1.35A 2jfaB-4jylA:
undetectable		 2jfaB-4jylA:
23.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		5 ALA A 287
GLU A 290
LEU A 291
ARG A 331
GLY A 444
 None
 0.96A 2jfaB-4n1yA:
26.6		 2jfaB-4n1yA:
35.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		7 ALA A 287
GLU A 290
LEU A 291
TRP A 320
LEU A 324
ARG A 331
GLY A 447
 None
 0.66A 2jfaB-4n1yA:
26.6		 2jfaB-4n1yA:
35.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		6 ALA A 287
GLU A 290
TRP A 320
LEU A 324
ARG A 331
MET A 358
 None
 0.77A 2jfaB-4n1yA:
26.6		 2jfaB-4n1yA:
35.27
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.
4oy4 CHIMERA PROTEIN OF
CALMODULIN, GPF-LIKE
PROTEIN EOSFP, AND
MYOSIN LIGHT CHAIN
KINASE

(Gallus gallus;
Lobophyllia
hemprichii;
Rattus
norvegicus) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		5 GLU A 219
ARG A 306
MET A 254
GLY A 267
LEU A 282
 CR8  A 303 ( 3.6A)
CR8  A 303 ( 2.9A)
None
None
None
 1.03A 2jfaB-4oy4A:
undetectable		 2jfaB-4oy4A:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q3k MGS-M1

(unidentified) 		PF00326
(Peptidase_S9)
PF07859
(Abhydrolase_3) 		5 ALA A  89
LEU A  90
LEU A  37
GLY A 115
LEU A 118
 None
 1.00A 2jfaB-4q3kA:
undetectable		 2jfaB-4q3kA:
25.52
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.
4q6t GLYCOSYL HYDROLASE,
FAMILY 18

(Pseudomonas
protegens) 		PF00704
(Glyco_hydro_18) 		5 ALA A  89
LEU A  49
MET A  78
GLY A  62
LEU A  61
 None
 1.09A 2jfaB-4q6tA:
undetectable		 2jfaB-4q6tA:
20.17
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.
4r9g MBP1

(Caldanaerobius
polysaccharolyticus) 		PF13416
(SBP_bac_8) 		5 ALA A 163
ASP A 166
GLU A 164
LEU A 165
GLY A 296
 None
 0.98A 2jfaB-4r9gA:
undetectable		 2jfaB-4r9gA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 773
TRP A 806
LEU A 810
LEU A 814
ARG A 817
 CV7  A1987 (-3.5A)
None
CV7  A1987 (-4.0A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
 0.55A 2jfaB-4udbA:
23.8		 2jfaB-4udbA:
26.92
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.
4xjv S-ACYL FATTY ACID
SYNTHASE
THIOESTERASE, MEDIUM
CHAIN

(Homo sapiens) 		PF00975
(Thioesterase) 		5 ALA A 111
GLU A 121
LEU A 112
LEU A 200
LEU A 127
 None
 1.11A 2jfaB-4xjvA:
undetectable		 2jfaB-4xjvA:
17.38
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.
4zkt BONTOXILYSIN A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 ALA A 340
GLU A 336
LEU A 339
LEU A 208
GLY A 374
 None
 0.88A 2jfaB-4zktA:
undetectable		 2jfaB-4zktA:
11.65
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.
5azd BACTERIORHODOPSIN

(Thermus
thermophilus) 		PF01036
(Bac_rhodopsin) 		5 LEU A 166
LEU A 187
LEU A 184
GLY A 112
LEU A 113
 None
 1.08A 2jfaB-5azdA:
undetectable		 2jfaB-5azdA:
25.26
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.
5bqk ICP27

(Human
alphaherpesvirus
1) 		PF05459
(Herpes_UL69) 		5 ALA A 356
ASP A 357
LEU A 360
LEU A 433
LEU A 472
 None
 1.12A 2jfaB-5bqkA:
undetectable		 2jfaB-5bqkA:
22.26
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.
5eog PROTEIN MAB-21-LIKE
1

(Homo sapiens) 		PF03281
(Mab-21) 		5 ALA A 346
LEU A 345
LEU A 304
GLY A 297
LEU A   8
 None
 1.11A 2jfaB-5eogA:
undetectable		 2jfaB-5eogA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fji BETA-GLUCOSIDASE

(Aspergillus
fumigatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ALA A 235
ASP A 236
LEU A 272
LEU A 267
LEU A 761
 None
 1.01A 2jfaB-5fjiA:
undetectable		 2jfaB-5fjiA:
14.32
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.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ALA A 235
ASP A 236
LEU A 272
LEU A 267
LEU A 759
 None
 1.05A 2jfaB-5fjjA:
undetectable		 2jfaB-5fjjA:
15.88
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.
5hmm EXODEOXYRIBONUCLEASE

(Escherichia
virus T5) 		PF01367
(5_3_exonuc)
PF02739
(5_3_exonuc_N) 		5 LEU A 159
TRP A 156
LEU A 149
GLY A  27
LEU A  66
 None
 1.11A 2jfaB-5hmmA:
undetectable		 2jfaB-5hmmA:
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.
5hzx NUDIX (NUCLEOSIDE
DIPHOSPHATE LINKED
MOIETY X)-TYPE MOTIF
1

(Danio rerio) 		PF00293
(NUDIX) 		5 ALA A  49
GLU A  52
LEU A  53
LEU A   7
GLY A  68
 None
None
None
2GE  A 201 ( 4.0A)
None
 1.11A 2jfaB-5hzxA:
undetectable		 2jfaB-5hzxA:
25.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ALA A 231
ASP A 232
LEU A 268
LEU A 263
LEU A 753
 None
 1.08A 2jfaB-5ju6A:
undetectable		 2jfaB-5ju6A:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mdt RPB7-BINDING PROTEIN
SEB1

(Schizosaccharomyces
pombe) 		PF04818
(CTD_bind) 		5 ALA A 110
ASP A 109
LEU A 106
LEU A  63
GLY A  20
 None
 0.99A 2jfaB-5mdtA:
undetectable		 2jfaB-5mdtA:
20.47
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.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 5 ALA A 563
TRP A 348
LEU A 421
LEU A 422
MET A 368
 None
 1.12A 2jfaB-5ohjA:
2.0		 2jfaB-5ohjA:
15.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tj7 NEDD4-LIKE E3
UBIQUITIN-PROTEIN
LIGASE WWP2

(Homo sapiens) 		PF00397
(WW)
PF00632
(HECT) 		5 ALA A 723
ASP A 726
LEU A 725
LEU A 578
GLY A 716
 None
 1.07A 2jfaB-5tj7A:
undetectable		 2jfaB-5tj7A:
18.42
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) 		9 MET A 295
ALA A 302
GLU A 305
TRP A 335
LEU A 339
LEU A 343
ARG A 346
GLY A 472
LEU A 476
 EST  A 601 ( 4.4A)
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
None
EST  A 601 (-3.9A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 (-4.0A)
EST  A 601 (-3.5A)
 0.80A 2jfaB-5toaA:
29.0		 2jfaB-5toaA:
53.36
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) 		9 MET A 295
GLU A 305
LEU A 306
TRP A 335
LEU A 339
LEU A 343
ARG A 346
GLY A 472
LEU A 476
 EST  A 601 ( 4.4A)
EST  A 601 (-2.4A)
None
None
EST  A 601 (-3.9A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 (-4.0A)
EST  A 601 (-3.5A)
 0.91A 2jfaB-5toaA:
29.0		 2jfaB-5toaA:
53.36
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.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 6 ALA A 272
LEU A 276
TRP A 305
LEU A 309
ARG A 316
GLY A 429
 9CR  A 503 (-3.5A)
None
None
9CR  A 503 (-3.7A)
9CR  A 503 (-3.0A)
None
 1.05A 2jfaB-5uanA:
9.8		 2jfaB-5uanA:
23.30
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.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 5 ALA A 272
TRP A 305
LEU A 309
ARG A 316
LEU A 436
 9CR  A 503 (-3.5A)
None
9CR  A 503 (-3.7A)
9CR  A 503 (-3.0A)
9CR  A 503 ( 4.8A)
 1.03A 2jfaB-5uanA:
9.8		 2jfaB-5uanA:
23.30
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.
5w3l VIRAL PROTEIN 3

(Rhinovirus B) 		PF00073
(Rhv) 		5 ALA B 213
LEU B 111
LEU B  97
LEU B  96
LEU B 219
 None
 0.94A 2jfaB-5w3lB:
undetectable		 2jfaB-5w3lB:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wbf METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER (TLPC)

(Helicobacter
pylori) 		no annotation 6 ALA A 117
LEU A 102
LEU A  94
LEU A  95
GLY A  66
LEU A  70
 None
 1.09A 2jfaB-5wbfA:
undetectable		 2jfaB-5wbfA:
21.16
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.
5xxg -

(-) 		no annotation 5 ALA A 174
LEU A 171
LEU A 105
LEU A 104
LEU A 112
 None
 1.08A 2jfaB-5xxgA:
undetectable		 2jfaB-5xxgA:
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.
6bvd LIGHT CHAIN

(Clostridium
botulinum) 		no annotation 5 ALA A 355
GLU A 351
LEU A 354
LEU A 222
GLY A 390
 None
 1.01A 2jfaB-6bvdA:
undetectable		 2jfaB-6bvdA:
14.81
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.
6fu4 PROBABLE CHEMOTAXIS
TRANSDUCER

(Pseudomonas
aeruginosa) 		no annotation 5 ALA A 101
ASP A 100
LEU A  99
GLY A 148
LEU A 147
 None
 1.08A 2jfaB-6fu4A:
undetectable		 2jfaB-6fu4A:
23.11