SIMILAR PATTERNS OF AMINO ACIDS FOR 3GN8_B_DEXB247_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.
1pqw POLYKETIDE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00107
(ADH_zinc_N) 		5 LEU A 115
ASN A 113
GLY A 137
VAL A 111
PHE A 133
 None
 1.42A 3gn8B-1pqwA:
0.0		 3gn8B-1pqwA:
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.
1ued P450 MONOOXYGENASE

(Amycolatopsis
orientalis) 		PF00067
(p450) 		5 LEU A 366
GLY A 257
TRP A 374
VAL A 156
PHE A 152
 None
 1.22A 3gn8B-1uedA:
2.8		 3gn8B-1uedA:
20.30
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.
1wch PROTEIN TYROSINE
PHOSPHATASE,
NON-RECEPTOR TYPE 13

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 GLY A2416
MET A2308
MET A2395
VAL A2463
PHE A2459
 None
 1.14A 3gn8B-1wchA:
0.0		 3gn8B-1wchA:
21.88
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.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 324
TRP A 361
MET A 362
ARG A 372
VAL A 498
 None
 1.15A 3gn8B-1xb7A:
25.4		 3gn8B-1xb7A:
26.34
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.
1zov MONOMERIC SARCOSINE
OXIDASE

(Bacillus sp.
NS-129) 		PF01266
(DAO) 		5 GLY A 263
MET A 302
THR A  87
VAL A 146
PHE A 259
 None
 1.30A 3gn8B-1zovA:
0.0		 3gn8B-1zovA:
19.13
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.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 LEU A   7
ASN A   8
GLY A 142
GLN A 171
THR A  92
 None
 1.50A 3gn8B-2ajrA:
0.0		 3gn8B-2ajrA:
20.06
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 GLY A 708
GLN A 711
MET A 742
ARG A 752
MET A 787
 BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
BHM  A   1 (-3.6A)
 0.89A 3gn8B-2ax9A:
32.8		 3gn8B-2ax9A:
53.70
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 704
ASN A 705
GLY A 708
GLN A 711
MET A 742
ARG A 752
VAL A 889
PHE A 891
 BHM  A   1 (-4.0A)
BHM  A   1 (-3.6A)
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
None
None
 0.94A 3gn8B-2ax9A:
32.8		 3gn8B-2ax9A:
53.70
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.
2osy ENDOGLYCOCERAMIDASE
II

(Rhodococcus sp.) 		PF00150
(Cellulase) 		5 LEU A 249
GLY A 236
GLN A 240
VAL A 205
PHE A 194
 None
 1.38A 3gn8B-2osyA:
0.0		 3gn8B-2osyA:
17.56
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) 		7 ASN A  33
GLY A  37
TRP A  69
CYH A 205
THR A 208
VAL A 217
PHE A 219
 1CA  A 247 (-2.9A)
None
None
1CA  A 247 (-4.0A)
1CA  A 247 (-3.4A)
None
1CA  A 247 (-4.5A)
 0.94A 3gn8B-2q3yA:
36.9		 3gn8B-2q3yA:
76.40
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) 		10 LEU A  32
ASN A  33
GLN A  39
TRP A  69
MET A  70
ARG A  80
CYH A 205
THR A 208
VAL A 217
PHE A 219
 1CA  A 247 (-4.0A)
1CA  A 247 (-2.9A)
1CA  A 247 (-3.1A)
None
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.8A)
1CA  A 247 (-4.0A)
1CA  A 247 (-3.4A)
None
1CA  A 247 (-4.5A)
 0.46A 3gn8B-2q3yA:
36.9		 3gn8B-2q3yA:
76.40
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) 		9 LEU A  32
ASN A  33
GLN A  39
TRP A  69
MET A  70
ARG A  80
MET A 115
CYH A 205
PHE A 219
 1CA  A 247 (-4.0A)
1CA  A 247 (-2.9A)
1CA  A 247 (-3.1A)
None
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.8A)
1CA  A 247 ( 3.7A)
1CA  A 247 (-4.0A)
1CA  A 247 (-4.5A)
 0.73A 3gn8B-2q3yA:
36.9		 3gn8B-2q3yA:
76.40
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.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 LEU A 298
ASN A 297
GLY A 295
THR A 246
VAL A 350
 None
 1.39A 3gn8B-2qt3A:
undetectable		 3gn8B-2qt3A:
21.22
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 LEU A1748
ASN A1746
GLY A1770
VAL A1744
PHE A1766
 None
 1.45A 3gn8B-2vz9A:
undetectable		 3gn8B-2vz9A:
7.02
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.
2x9p PIMD PROTEIN

(Streptomyces
natalensis) 		PF00067
(p450) 		5 LEU A 214
ASN A 215
GLY A 217
ARG A 103
VAL A 199
 None
 1.42A 3gn8B-2x9pA:
2.4		 3gn8B-2x9pA:
18.47
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.
3gcw PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		5 GLY A 352
TRP A 428
THR A 437
VAL A 359
PHE A 362
 None
 1.34A 3gn8B-3gcwA:
undetectable		 3gn8B-3gcwA:
17.74
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.
3gri DIHYDROOROTASE

(Staphylococcus
aureus) 		PF01979
(Amidohydro_1) 		5 LEU A 129
GLY A 153
GLN A 155
MET A 159
VAL A  96
 None
CL  A 600 ( 4.5A)
None
None
None
 1.45A 3gn8B-3griA:
undetectable		 3gn8B-3griA:
20.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 ASN A 719
TRP A 755
MET A 756
MET A 801
CYH A 891
THR A 894
VAL A 903
PHE A 905
 WOW  A   1 (-3.3A)
None
WOW  A   1 ( 4.1A)
WOW  A   1 (-4.2A)
WOW  A   1 (-3.5A)
WOW  A   1 (-3.9A)
None
WOW  A   1 (-4.6A)
 1.21A 3gn8B-3kbaA:
35.4		 3gn8B-3kbaA:
58.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 GLY A 722
GLN A 725
MET A 756
ARG A 766
MET A 801
CYH A 891
 WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.2A)
WOW  A   1 (-3.5A)
 0.93A 3gn8B-3kbaA:
35.4		 3gn8B-3kbaA:
58.89
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) 		10 LEU A 718
ASN A 719
GLY A 722
MET A 756
ARG A 766
MET A 801
CYH A 891
THR A 894
VAL A 903
PHE A 905
 WOW  A   1 (-4.2A)
WOW  A   1 (-3.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.8A)
WOW  A   1 (-4.2A)
WOW  A   1 (-3.5A)
WOW  A   1 (-3.9A)
None
WOW  A   1 (-4.6A)
 0.78A 3gn8B-3kbaA:
35.4		 3gn8B-3kbaA:
58.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m0o MONOMERIC SARCOSINE
OXIDASE

(Bacillus sp.
B-0618) 		PF01266
(DAO) 		5 GLY A 263
MET A 302
THR A  87
VAL A 146
PHE A 259
 None
 1.35A 3gn8B-3m0oA:
undetectable		 3gn8B-3m0oA:
19.13
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.
3nm1 THIAMINE
BIOSYNTHETIC
BIFUNCTIONAL ENZYME

([Candida]
glabrata) 		PF02110
(HK)
PF02581
(TMP-TENI) 		5 LEU A 485
ASN A 484
GLY A 483
ARG A 335
THR A 248
 None
 1.33A 3gn8B-3nm1A:
undetectable		 3gn8B-3nm1A:
17.06
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.
3nxp PRETHROMBIN-1

(Homo sapiens) 		PF00051
(Kringle)
PF00089
(Trypsin)
PF09396
(Thrombin_light) 		5 LEU A 560
ASN A 559
GLY A 536
TRP A 607
VAL A 417
 None
 1.50A 3gn8B-3nxpA:
undetectable		 3gn8B-3nxpA:
20.28
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.
3q3h HMW1C-LIKE
GLYCOSYLTRANSFERASE

(Actinobacillus
pleuropneumoniae) 		no annotation 5 GLY A  41
GLN A  43
TRP A  97
THR A 439
VAL A 478
 None
 1.49A 3gn8B-3q3hA:
undetectable		 3gn8B-3q3hA:
18.01
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) 		8 ASN A  33
GLY A  37
TRP A  69
MET A  70
CYH A 205
THR A 208
VAL A 217
PHE A 219
 1CA  A 249 (-3.0A)
None
None
1CA  A 249 ( 3.8A)
1CA  A 249 (-4.0A)
1CA  A 249 (-3.2A)
1CA  A 249 (-4.9A)
1CA  A 249 (-4.3A)
 0.88A 3gn8B-3ry9A:
36.2		 3gn8B-3ry9A:
84.00
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  32
ASN A  33
GLY A  36
GLN A  39
TRP A  69
MET A  70
ARG A  80
CYH A 205
THR A 208
VAL A 217
PHE A 219
 1CA  A 249 (-3.9A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
None
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.5A)
1CA  A 249 (-4.0A)
1CA  A 249 (-3.2A)
1CA  A 249 (-4.9A)
1CA  A 249 (-4.3A)
 0.42A 3gn8B-3ry9A:
36.2		 3gn8B-3ry9A:
84.00
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  32
ASN A  33
GLY A  36
GLN A  39
TRP A  69
MET A  70
ARG A  80
MET A 115
CYH A 205
THR A 208
PHE A 219
 1CA  A 249 (-3.9A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
None
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.5A)
1CA  A 249 (-3.6A)
1CA  A 249 (-4.0A)
1CA  A 249 (-3.2A)
1CA  A 249 (-4.3A)
 0.75A 3gn8B-3ry9A:
36.2		 3gn8B-3ry9A:
84.00
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.
4dxo LEA X(6) GFP-LIKE
PROTEINS

(synthetic
construct) 		PF01353
(GFP) 		5 GLY A  20
MET A  14
CYH A 101
VAL A 131
PHE A 125
 None
 1.44A 3gn8B-4dxoA:
undetectable		 3gn8B-4dxoA:
23.53
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.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		6 LEU A 283
TRP A 320
MET A 321
ARG A 331
VAL A 460
PHE A 462
 None
 0.80A 3gn8B-4n1yA:
27.7		 3gn8B-4n1yA:
26.91
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.
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 GLY A 260
MET A 254
CYH A 341
VAL A 371
PHE A 365
 None
 1.50A 3gn8B-4oy4A:
undetectable		 3gn8B-4oy4A:
17.88
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) 		7 ASN A 564
GLY A 568
GLN A 570
TRP A 600
MET A 601
CYH A 736
PHE A 749
 MOF  A 801 (-3.0A)
None
MOF  A 801 (-2.9A)
None
MOF  A 801 (-3.7A)
MOF  A 801 (-3.7A)
MOF  A 801 (-4.4A)
 1.08A 3gn8B-4p6wA:
39.0		 3gn8B-4p6wA:
76.59
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) 		11 LEU A 563
ASN A 564
GLY A 567
GLN A 570
TRP A 600
MET A 601
ARG A 611
MET A 646
CYH A 736
THR A 739
PHE A 749
 MOF  A 801 (-3.9A)
MOF  A 801 (-3.0A)
MOF  A 801 (-3.4A)
MOF  A 801 (-2.9A)
None
MOF  A 801 (-3.7A)
MOF  A 801 (-4.2A)
MOF  A 801 (-4.4A)
MOF  A 801 (-3.7A)
MOF  A 801 (-3.9A)
MOF  A 801 (-4.4A)
 0.45A 3gn8B-4p6wA:
39.0		 3gn8B-4p6wA:
76.59
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.
4q60 PROLINE RACEMASE

(Burkholderia
multivorans) 		PF05544
(Pro_racemase) 		5 ASN A 134
GLY A 161
CYH A  89
THR A  93
VAL A 132
 PYC  A 402 (-4.2A)
None
None
None
None
 1.31A 3gn8B-4q60A:
undetectable		 3gn8B-4q60A:
18.90
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.
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophilus) 		PF07944
(Glyco_hydro_127) 		5 GLY A 549
GLN A 547
ARG A 356
THR A 455
VAL A 463
 None
 1.43A 3gn8B-4qjyA:
undetectable		 3gn8B-4qjyA:
16.05
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 ASN A 770
GLY A 774
GLN A 776
TRP A 806
THR A 945
VAL A 954
PHE A 956
 CV7  A1987 (-3.1A)
None
CV7  A1987 (-3.0A)
None
CV7  A1987 (-3.1A)
None
CV7  A1987 ( 4.7A)
 1.15A 3gn8B-4udbA:
35.4		 3gn8B-4udbA:
57.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 LEU A 769
ASN A 770
GLN A 776
TRP A 806
MET A 807
ARG A 817
MET A 852
CYH A 942
THR A 945
VAL A 954
PHE A 956
 CV7  A1987 (-4.1A)
CV7  A1987 (-3.1A)
CV7  A1987 (-3.0A)
None
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.7A)
CV7  A1987 (-4.0A)
CV7  A1987 (-3.1A)
None
CV7  A1987 ( 4.7A)
 0.61A 3gn8B-4udbA:
35.4		 3gn8B-4udbA:
57.72
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.
4wr2 PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Shewanella
loihica) 		PF01156
(IU_nuc_hydro) 		5 GLY A 344
GLN A 343
ARG A 250
CYH A 289
PHE A 300
 None
 1.49A 3gn8B-4wr2A:
undetectable		 3gn8B-4wr2A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xa9 GALA PROTEIN TYPE 1,
3 OR 4

(Legionella
pneumophila) 		PF13516
(LRR_6) 		5 LEU A  19
CYH A  35
THR A  66
VAL A  68
PHE A  62
 None
 1.46A 3gn8B-4xa9A:
undetectable		 3gn8B-4xa9A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4za2 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE

(Pectobacterium
carotovorum) 		PF13561
(adh_short_C2) 		5 LEU A  30
CYH A  18
THR A  48
VAL A  52
PHE A  59
 None
 1.23A 3gn8B-4za2A:
undetectable		 3gn8B-4za2A:
20.88
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.
5dp1 CURK

(Moorea
producens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 227
ASN A 225
GLY A 249
VAL A 223
PHE A 245
 None
 1.40A 3gn8B-5dp1A:
undetectable		 3gn8B-5dp1A:
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.
5ex6 CYTOCHROME P450

(Streptomyces
toyocaensis) 		no annotation 5 LEU C  88
ASN C  87
GLY C  86
ARG C  98
THR C 287
 HEM  C 502 (-3.7A)
None
None
None
HEM  C 502 (-3.5A)
 1.42A 3gn8B-5ex6C:
undetectable		 3gn8B-5ex6C:
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.
5exc GREEN FLUORESCENT
PROTEIN

(Dendronephthya
sp. SSAL-2002) 		PF01353
(GFP) 		5 GLY A  20
MET A  14
CYH I 101
VAL I 131
PHE I 125
 None
NLW  A  61 ( 3.8A)
None
None
None
 1.45A 3gn8B-5excA:
undetectable		 3gn8B-5excA:
12.45
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.
5m60 BETA-1,3-GLUCANASE

(Chaetomium
thermophilum) 		PF12708
(Pectate_lyase_3) 		5 LEU A 474
GLY A 513
GLN A 549
VAL A 490
PHE A 481
 None
 1.35A 3gn8B-5m60A:
undetectable		 3gn8B-5m60A:
15.02
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 8 ASN A 770
GLY A 774
GLN A 776
TRP A 806
CYH A 942
THR A 945
VAL A 954
PHE A 956
 ECV  A1101 (-3.1A)
None
ECV  A1101 (-2.9A)
None
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
None
ECV  A1101 ( 4.7A)
 1.07A 3gn8B-5mwpA:
35.9		 3gn8B-5mwpA:
42.50
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 GLN A 776
TRP A 806
MET A 807
ARG A 817
MET A 852
 ECV  A1101 (-2.9A)
None
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.7A)
 1.21A 3gn8B-5mwpA:
35.9		 3gn8B-5mwpA:
42.50
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 10 LEU A 769
ASN A 770
GLN A 776
TRP A 806
MET A 807
ARG A 817
CYH A 942
THR A 945
VAL A 954
PHE A 956
 ECV  A1101 (-4.7A)
ECV  A1101 (-3.1A)
ECV  A1101 (-2.9A)
None
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
None
ECV  A1101 ( 4.7A)
 0.40A 3gn8B-5mwpA:
35.9		 3gn8B-5mwpA:
42.50
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
TRP A 335
MET A 336
ARG A 346
VAL A 485
 EST  A 601 (-4.1A)
None
EST  A 601 ( 3.7A)
EST  A 601 (-4.1A)
None
 0.70A 3gn8B-5toaA:
25.0		 3gn8B-5toaA:
30.71
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.
5uao TRYPTOPHANE-5-HALOGE
NASE

(Microbispora
sp. ATCC
PTA-5024) 		PF04820
(Trp_halogenase) 		5 LEU A  46
GLY A  87
ARG A 191
VAL A 366
PHE A  81
 None
 1.39A 3gn8B-5uaoA:
undetectable		 3gn8B-5uaoA:
16.88
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 GLY A 563
GLN A 566
TRP A 596
MET A 597
ARG A 607
MET A 642
 486  A 801 (-3.7A)
486  A 801 (-2.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.74A 3gn8B-5uc1A:
25.6		 3gn8B-5uc1A:
76.92
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 7 LEU A 559
ASN A 560
GLY A 563
GLN A 566
MET A 597
ARG A 607
MET A 642
 486  A 801 (-4.7A)
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 3.8A)
 0.92A 3gn8B-5uc1A:
25.6		 3gn8B-5uc1A:
76.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		9 ASN A  33
GLY A  37
GLN A  39
TRP A  69
MET A  70
CYH A 205
THR A 208
VAL A 216
PHE A 218
 1TA  A 301 (-3.0A)
None
1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.6A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.3A)
1TA  A 301 (-4.0A)
 0.92A 3gn8B-5ufsA:
40.5		 3gn8B-5ufsA:
100.00
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) 		12 LEU A  32
ASN A  33
GLY A  36
GLN A  39
TRP A  69
MET A  70
ARG A  80
MET A 115
CYH A 205
THR A 208
VAL A 216
PHE A 218
 1TA  A 301 (-3.5A)
1TA  A 301 (-3.0A)
1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 2.8A)
1TA  A 301 (-3.6A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.3A)
1TA  A 301 (-4.0A)
 0.43A 3gn8B-5ufsA:
40.5		 3gn8B-5ufsA:
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.
6fsh OXYB PROTEIN

(Actinoplanes
teichomyceticus) 		no annotation 5 LEU A  88
ASN A  87
GLY A  86
ARG A  98
THR A 287
 HEM  A 401 (-3.3A)
None
None
None
HEM  A 401 (-3.8A)
 1.36A 3gn8B-6fshA:
undetectable		 3gn8B-6fshA:
19.32