SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'AER'


List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1NR6_A_DIFA501_1
(CYTOCHROME P450 2C5)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		5 / 9 LEU A 118
ALA A 126
GLY A 312
ALA A 313
THR A 317
 None
HEM  A 600 (-3.6A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
 1.07A 1nr6A-4r1zA:
44.1		 1nr6A-4r1zA:
32.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1NR6_A_DIFA501_1
(CYTOCHROME P450 2C5)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		6 / 9 LEU A 112
ALA A 120
PHE A 121
GLY A 301
ALA A 302
THR A 306
 AER  A 602 ( 4.8A)
AER  A 602 (-3.7A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
 1.31A 1nr6A-4r20A:
43.7		 1nr6A-4r20A:
35.58
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.
1WU8_B_ADNB501_1
(HYPOTHETICAL PROTEIN
PH0463)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		5 / 11 HIS A 400
ILE A 363
PRO A 365
VAL A 366
PHE A 430
 None
None
None
AER  A 602 ( 4.9A)
None
 1.15A 1wu8B-4r20A:
0.0
1wu8C-4r20A:
0.0		 1wu8B-4r20A:
19.26
1wu8C-4r20A:
19.26
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.
3N9J_B_EAAB214_1
(GLUTATHIONE
S-TRANSFERASE P)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		4 / 8 VAL A 304
GLY A 301
ARG A 246
ILE A 212
 None
AER  A 602 ( 3.8A)
None
AER  A 602 (-3.2A)
 0.70A 3n9jB-4r20A:
undetectable		 3n9jB-4r20A:
18.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		6 / 12 ALA A 126
PHE A 127
ASP A 309
ALA A 313
THR A 317
VAL A 494
 HEM  A 600 (-3.6A)
None
AER  A 601 ( 4.1A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
 1.48A 3rukA-4r1zA:
50.7		 3rukA-4r1zA:
46.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		9 / 12 ALA A 126
PHE A 127
TYR A 214
ILE A 218
ASP A 309
ALA A 313
THR A 317
VAL A 377
CYH A 453
 HEM  A 600 (-3.6A)
None
AER  A 601 (-4.7A)
AER  A 601 ( 4.3A)
AER  A 601 ( 4.1A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
HEM  A 600 (-4.6A)
HEM  A 600 (-2.3A)
 0.65A 3rukA-4r1zA:
50.7		 3rukA-4r1zA:
46.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		9 / 12 ALA A 126
TYR A 214
ILE A 218
ASP A 309
ALA A 313
THR A 317
VAL A 377
CYH A 453
VAL A 493
 HEM  A 600 (-3.6A)
AER  A 601 (-4.7A)
AER  A 601 ( 4.3A)
AER  A 601 ( 4.1A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
HEM  A 600 (-4.6A)
HEM  A 600 (-2.3A)
None
 0.64A 3rukA-4r1zA:
50.7		 3rukA-4r1zA:
46.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		6 / 12 ALA A 120
PHE A 121
ILE A 216
THR A 306
VAL A 366
CYH A 440
 AER  A 602 (-3.7A)
None
None
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
HEM  A 601 (-2.2A)
 1.30A 3rukA-4r20A:
49.4		 3rukA-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		9 / 12 ALA A 120
PHE A 121
TYR A 208
ASN A 209
ILE A 212
ALA A 302
THR A 306
VAL A 366
CYH A 440
 AER  A 602 (-3.7A)
None
None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
HEM  A 601 (-2.2A)
 0.73A 3rukA-4r20A:
49.4		 3rukA-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		8 / 12 TYR A 208
ASN A 209
ILE A 212
ALA A 302
THR A 306
VAL A 366
CYH A 440
VAL A 480
 None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
HEM  A 601 (-2.2A)
AER  A 602 ( 4.9A)
 0.83A 3rukA-4r20A:
49.4		 3rukA-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		7 / 12 TYR A 208
ASN A 209
ILE A 212
LEU A 112
ALA A 302
THR A 306
CYH A 440
 None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
AER  A 602 ( 4.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
HEM  A 601 (-2.2A)
 1.41A 3rukA-4r20A:
49.4		 3rukA-4r20A:
43.90
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.
3RUK_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		9 / 12 ALA A 126
PHE A 127
TYR A 214
ILE A 218
ALA A 313
THR A 317
VAL A 377
CYH A 453
VAL A 493
 HEM  A 601 (-3.8A)
None
None
AER  A 602 (-3.9A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
HEM  A 601 ( 4.4A)
HEM  A 601 (-2.3A)
AER  A 602 ( 4.7A)
 0.62A 3rukA-6b82A:
48.9		 3rukA-6b82A:
9.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		8 / 12 ALA A 126
ILE A 218
ASP A 309
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
AER  A 601 ( 4.1A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
None
 0.64A 3rukB-4r1zA:
51.1		 3rukB-4r1zA:
46.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		6 / 12 ALA A 126
PHE A 127
ASP A 309
ALA A 313
THR A 317
VAL A 494
 HEM  A 600 (-3.6A)
None
AER  A 601 ( 4.1A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
 0.64A 3rukB-4r1zA:
51.1		 3rukB-4r1zA:
46.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		6 / 12 ALA A 120
PHE A 121
ASN A 209
GLY A 301
ALA A 302
THR A 306
 AER  A 602 (-3.7A)
None
AER  A 602 (-4.5A)
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
 0.74A 3rukB-4r20A:
49.6		 3rukB-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		6 / 12 ALA A 120
PHE A 121
GLY A 301
ALA A 302
THR A 306
VAL A 481
 AER  A 602 (-3.7A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
None
 0.58A 3rukB-4r20A:
49.6		 3rukB-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		5 / 12 ASN A 209
ILE A 212
ALA A 302
THR A 306
VAL A 480
 AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
 0.66A 3rukB-4r20A:
49.6		 3rukB-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		5 / 12 ASN A 209
ILE A 212
GLY A 301
ALA A 302
THR A 306
 AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
 0.63A 3rukB-4r20A:
49.6		 3rukB-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		5 / 12 ILE A 212
ALA A 302
THR A 306
VAL A 480
VAL A 481
 AER  A 602 (-3.2A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
None
 0.75A 3rukB-4r20A:
49.6		 3rukB-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		5 / 12 ILE A 212
GLY A 301
ALA A 302
THR A 306
VAL A 481
 AER  A 602 (-3.2A)
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
None
 0.51A 3rukB-4r20A:
49.6		 3rukB-4r20A:
43.90
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.
3RUK_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		8 / 12 ALA A 126
PHE A 127
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 HEM  A 601 (-3.8A)
None
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
AER  A 602 ( 4.7A)
None
 0.61A 3rukB-6b82A:
49.0		 3rukB-6b82A:
9.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_C_AERC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		5 / 9 ALA A 126
PHE A 127
ILE A 218
ARG A 252
ASP A 124
 HEM  A 600 (-3.6A)
None
AER  A 601 ( 4.3A)
None
None
 1.31A 3rukC-4r1zA:
50.6		 3rukC-4r1zA:
46.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_C_AERC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		8 / 9 ALA A 126
PHE A 127
TYR A 214
ILE A 218
ARG A 252
ASP A 309
GLU A 316
THR A 317
 HEM  A 600 (-3.6A)
None
AER  A 601 (-4.7A)
AER  A 601 ( 4.3A)
None
AER  A 601 ( 4.1A)
None
HEM  A 600 ( 3.3A)
 0.73A 3rukC-4r1zA:
50.6		 3rukC-4r1zA:
46.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_C_AERC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		6 / 9 ALA A 120
PHE A 121
ASN A 209
ILE A 212
ARG A 246
THR A 306
 AER  A 602 (-3.7A)
None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
None
HEM  A 601 ( 3.3A)
 0.84A 3rukC-4r20A:
49.2		 3rukC-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_C_AERC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		6 / 9 ALA A 120
PHE A 121
ILE A 212
ARG A 246
GLU A 305
THR A 306
 AER  A 602 (-3.7A)
None
AER  A 602 (-3.2A)
None
None
HEM  A 601 ( 3.3A)
 0.94A 3rukC-4r20A:
49.2		 3rukC-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_C_AERC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		5 / 9 ALA A 120
PHE A 121
ILE A 216
GLU A 305
THR A 306
 AER  A 602 (-3.7A)
None
None
None
HEM  A 601 ( 3.3A)
 1.05A 3rukC-4r20A:
49.2		 3rukC-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_C_AERC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		5 / 9 TYR A 208
ASN A 209
ILE A 212
ARG A 246
THR A 306
 None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
None
HEM  A 601 ( 3.3A)
 0.67A 3rukC-4r20A:
49.2		 3rukC-4r20A:
43.90
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.
3RUK_C_AERC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		6 / 9 ALA A 126
PHE A 127
TYR A 214
ILE A 218
GLU A 316
THR A 317
 HEM  A 601 (-3.8A)
None
None
AER  A 602 (-3.9A)
None
HEM  A 601 ( 3.7A)
 0.87A 3rukC-6b82A:
48.6		 3rukC-6b82A:
9.72
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.
3RUK_C_AERC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		5 / 9 TYR A 214
ILE A 218
ARG A 252
GLU A 316
THR A 317
 None
AER  A 602 (-3.9A)
None
None
HEM  A 601 ( 3.7A)
 0.98A 3rukC-6b82A:
48.6		 3rukC-6b82A:
9.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		6 / 11 ALA A 126
PHE A 127
ASP A 309
ALA A 313
THR A 317
VAL A 494
 HEM  A 600 (-3.6A)
None
AER  A 601 ( 4.1A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
 1.43A 3rukD-4r1zA:
51.0		 3rukD-4r1zA:
46.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		10 / 11 ALA A 126
PHE A 127
TYR A 214
ILE A 218
ARG A 252
ASP A 309
GLY A 312
ALA A 313
THR A 317
VAL A 377
 HEM  A 600 (-3.6A)
None
AER  A 601 (-4.7A)
AER  A 601 ( 4.3A)
None
AER  A 601 ( 4.1A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
HEM  A 600 (-4.6A)
 0.57A 3rukD-4r1zA:
51.0		 3rukD-4r1zA:
46.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		5 / 11 ALA A 120
PHE A 121
ILE A 216
THR A 306
VAL A 366
 AER  A 602 (-3.7A)
None
None
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
 1.21A 3rukD-4r20A:
49.4		 3rukD-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		10 / 11 ALA A 120
PHE A 121
TYR A 208
ASN A 209
ILE A 212
ARG A 246
GLY A 301
ALA A 302
THR A 306
VAL A 366
 AER  A 602 (-3.7A)
None
None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
 0.80A 3rukD-4r20A:
49.4		 3rukD-4r20A:
43.90
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.
3RUK_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		8 / 11 ALA A 126
PHE A 127
TYR A 214
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 377
 HEM  A 601 (-3.8A)
None
None
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
HEM  A 601 ( 4.4A)
 0.52A 3rukD-6b82A:
48.7		 3rukD-6b82A:
9.72
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.
3RUK_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		8 / 11 ALA A 126
TYR A 214
ILE A 218
ARG A 252
GLY A 312
ALA A 313
THR A 317
VAL A 377
 HEM  A 601 (-3.8A)
None
AER  A 602 (-3.9A)
None
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
HEM  A 601 ( 4.4A)
 0.64A 3rukD-6b82A:
48.7		 3rukD-6b82A:
9.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T3S_D_9PLD1_1
(CYTOCHROME P450 2A13)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		4 / 8 ALA A 120
PHE A 121
ALA A 302
THR A 306
 AER  A 602 (-3.7A)
None
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
 0.55A 3t3sD-4r20A:
41.8		 3t3sD-4r20A:
33.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		9 / 12 LEU A 118
ALA A 126
ILE A 218
ARG A 252
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 None
HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
None
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
None
 0.52A 4nkvA-4r1zA:
51.1		 4nkvA-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		9 / 12 LEU A 118
ALA A 126
PHE A 127
ILE A 218
ARG A 252
GLY A 312
ALA A 313
THR A 317
VAL A 494
 None
HEM  A 600 (-3.6A)
None
AER  A 601 ( 4.3A)
None
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
 0.52A 4nkvA-4r1zA:
51.1		 4nkvA-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		9 / 12 ALA A 120
PHE A 121
ASN A 209
ILE A 212
ARG A 246
GLY A 301
ALA A 302
THR A 306
VAL A 481
 AER  A 602 (-3.7A)
None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
None
 0.65A 4nkvA-4r20A:
49.9		 4nkvA-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		7 / 12 ASN A 209
ILE A 212
ARG A 246
ALA A 302
THR A 306
VAL A 480
VAL A 481
 AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
None
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
None
 0.67A 4nkvA-4r20A:
49.9		 4nkvA-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		7 / 12 LEU A 112
ASN A 209
ILE A 212
ARG A 246
THR A 306
VAL A 480
VAL A 481
 AER  A 602 ( 4.8A)
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
None
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
None
 0.88A 4nkvA-4r20A:
49.9		 4nkvA-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		8 / 12 LEU A 112
PHE A 121
ASN A 209
ILE A 212
ARG A 246
GLY A 301
THR A 306
VAL A 481
 AER  A 602 ( 4.8A)
None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
None
AER  A 602 ( 3.8A)
HEM  A 601 ( 3.3A)
None
 0.81A 4nkvA-4r20A:
49.9		 4nkvA-4r20A:
44.09
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.
4NKV_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		9 / 12 LEU A 118
ALA A 126
PHE A 127
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 None
HEM  A 601 (-3.8A)
None
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
AER  A 602 ( 4.7A)
None
 0.53A 4nkvA-6b82A:
49.2		 4nkvA-6b82A:
9.72
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.
4NKV_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		7 / 12 LEU A 118
ILE A 218
ARG A 252
GLY A 312
ALA A 313
THR A 317
VAL A 494
 None
AER  A 602 (-3.9A)
None
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
None
 0.54A 4nkvA-6b82A:
49.2		 4nkvA-6b82A:
9.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_A_AERA601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		4 / 5 TYR A 214
ASP A 309
GLU A 316
VAL A 377
 AER  A 601 (-4.7A)
AER  A 601 ( 4.1A)
None
HEM  A 600 (-4.6A)
 0.72A 4nkvA-4r1zA:
51.1		 4nkvA-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		8 / 12 LEU A 118
ALA A 126
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 None
HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
None
 0.53A 4nkvB-4r1zA:
51.1		 4nkvB-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		8 / 12 LEU A 118
ALA A 126
PHE A 127
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 494
 None
HEM  A 600 (-3.6A)
None
AER  A 601 ( 4.3A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
 0.53A 4nkvB-4r1zA:
51.1		 4nkvB-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		8 / 12 ALA A 120
PHE A 121
ASN A 209
ILE A 212
GLY A 301
ALA A 302
THR A 306
VAL A 481
 AER  A 602 (-3.7A)
None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
None
 0.66A 4nkvB-4r20A:
49.6		 4nkvB-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		6 / 12 ASN A 209
ILE A 212
ALA A 302
THR A 306
VAL A 480
VAL A 481
 AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
None
 0.72A 4nkvB-4r20A:
49.6		 4nkvB-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		6 / 12 LEU A 112
ASN A 209
ILE A 212
THR A 306
VAL A 480
VAL A 481
 AER  A 602 ( 4.8A)
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
None
 0.94A 4nkvB-4r20A:
49.6		 4nkvB-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		7 / 12 LEU A 112
PHE A 121
ASN A 209
ILE A 212
GLY A 301
THR A 306
VAL A 481
 AER  A 602 ( 4.8A)
None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
AER  A 602 ( 3.8A)
HEM  A 601 ( 3.3A)
None
 0.85A 4nkvB-4r20A:
49.6		 4nkvB-4r20A:
44.09
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.
4NKV_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		9 / 12 LEU A 118
ALA A 126
PHE A 127
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 None
HEM  A 601 (-3.8A)
None
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
AER  A 602 ( 4.7A)
None
 0.51A 4nkvB-6b82A:
49.2		 4nkvB-6b82A:
9.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_B_AERB601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		5 / 5 TYR A 214
ARG A 252
ASP A 309
GLU A 316
VAL A 377
 AER  A 601 (-4.7A)
None
AER  A 601 ( 4.1A)
None
HEM  A 600 (-4.6A)
 0.80A 4nkvB-4r1zA:
51.1		 4nkvB-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_C_AERC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		9 / 12 LEU A 118
ALA A 126
ILE A 218
ARG A 252
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 None
HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
None
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
None
 0.57A 4nkvC-4r1zA:
51.4		 4nkvC-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_C_AERC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		9 / 12 LEU A 118
ALA A 126
PHE A 127
ILE A 218
ARG A 252
GLY A 312
ALA A 313
THR A 317
VAL A 494
 None
HEM  A 600 (-3.6A)
None
AER  A 601 ( 4.3A)
None
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
 0.55A 4nkvC-4r1zA:
51.4		 4nkvC-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_C_AERC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		9 / 12 ALA A 120
PHE A 121
ASN A 209
ILE A 212
ARG A 246
GLY A 301
ALA A 302
THR A 306
VAL A 481
 AER  A 602 (-3.7A)
None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
None
 0.67A 4nkvC-4r20A:
49.8		 4nkvC-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_C_AERC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		8 / 12 LEU A 112
ASN A 209
ILE A 212
ARG A 246
ALA A 302
THR A 306
VAL A 480
VAL A 481
 AER  A 602 ( 4.8A)
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
None
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
None
 0.91A 4nkvC-4r20A:
49.8		 4nkvC-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_C_AERC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		9 / 12 LEU A 112
PHE A 121
ASN A 209
ILE A 212
ARG A 246
GLY A 301
ALA A 302
THR A 306
VAL A 481
 AER  A 602 ( 4.8A)
None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
None
 0.78A 4nkvC-4r20A:
49.8		 4nkvC-4r20A:
44.09
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.
4NKV_C_AERC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		9 / 12 LEU A 118
ALA A 126
PHE A 127
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 None
HEM  A 601 (-3.8A)
None
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
AER  A 602 ( 4.7A)
None
 0.51A 4nkvC-6b82A:
49.2		 4nkvC-6b82A:
9.72
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.
4NKV_C_AERC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		7 / 12 LEU A 118
ILE A 218
ARG A 252
GLY A 312
ALA A 313
THR A 317
VAL A 494
 None
AER  A 602 (-3.9A)
None
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
None
 0.62A 4nkvC-6b82A:
49.2		 4nkvC-6b82A:
9.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		9 / 12 LEU A 118
ALA A 126
ILE A 218
ARG A 252
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 None
HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
None
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
None
 0.56A 4nkvD-4r1zA:
51.7		 4nkvD-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		9 / 12 LEU A 118
ALA A 126
PHE A 127
ILE A 218
ARG A 252
GLY A 312
ALA A 313
THR A 317
VAL A 494
 None
HEM  A 600 (-3.6A)
None
AER  A 601 ( 4.3A)
None
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
 0.53A 4nkvD-4r1zA:
51.7		 4nkvD-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		9 / 12 ALA A 120
PHE A 121
ASN A 209
ILE A 212
ARG A 246
GLY A 301
ALA A 302
THR A 306
VAL A 481
 AER  A 602 (-3.7A)
None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
None
 0.67A 4nkvD-4r20A:
50.2		 4nkvD-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		7 / 12 ASN A 209
ILE A 212
ARG A 246
ALA A 302
THR A 306
VAL A 480
VAL A 481
 AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
None
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
None
 0.76A 4nkvD-4r20A:
50.2		 4nkvD-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		9 / 12 LEU A 112
ALA A 120
PHE A 121
ASN A 209
ILE A 212
ARG A 246
GLY A 301
THR A 306
VAL A 481
 AER  A 602 ( 4.8A)
AER  A 602 (-3.7A)
None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
None
AER  A 602 ( 3.8A)
HEM  A 601 ( 3.3A)
None
 0.81A 4nkvD-4r20A:
50.2		 4nkvD-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		7 / 12 LEU A 112
ASN A 209
ILE A 212
ARG A 246
THR A 306
VAL A 480
VAL A 481
 AER  A 602 ( 4.8A)
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
None
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
None
 0.96A 4nkvD-4r20A:
50.2		 4nkvD-4r20A:
44.09
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.
4NKV_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		9 / 12 LEU A 118
ALA A 126
PHE A 127
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 None
HEM  A 601 (-3.8A)
None
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
AER  A 602 ( 4.7A)
None
 0.51A 4nkvD-6b82A:
49.2		 4nkvD-6b82A:
9.72
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.
4NKV_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		7 / 12 LEU A 118
ILE A 218
ARG A 252
GLY A 312
ALA A 313
THR A 317
VAL A 494
 None
AER  A 602 (-3.9A)
None
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
None
 0.58A 4nkvD-6b82A:
49.2		 4nkvD-6b82A:
9.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_D_AERD601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		5 / 5 TYR A 214
GLY A 308
ASP A 309
GLU A 316
VAL A 377
 AER  A 601 (-4.7A)
None
AER  A 601 ( 4.1A)
None
HEM  A 600 (-4.6A)
 0.73A 4nkvD-4r1zA:
51.7		 4nkvD-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_A_STRA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		5 / 12 ALA A 126
GLY A 312
ALA A 313
ILE A 382
VAL A 493
 HEM  A 600 (-3.6A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 4.1A)
None
 1.01A 4nkxA-4r1zA:
50.5		 4nkxA-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_A_STRA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		5 / 12 ALA A 126
ILE A 218
GLY A 312
ALA A 313
ILE A 382
 HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 4.1A)
 1.06A 4nkxA-4r1zA:
50.5		 4nkxA-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_A_STRA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		8 / 12 LEU A 118
ALA A 126
ILE A 218
GLY A 312
ALA A 313
THR A 317
ILE A 382
VAL A 494
 None
HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
HEM  A 600 ( 4.1A)
None
 0.40A 4nkxA-4r1zA:
50.5		 4nkxA-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_A_STRA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		8 / 12 LEU A 118
ALA A 126
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 None
HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
None
 0.58A 4nkxA-4r1zA:
50.5		 4nkxA-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_A_STRA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		6 / 12 LEU A 118
ALA A 126
PHE A 127
ILE A 218
THR A 317
ILE A 382
 None
HEM  A 600 (-3.6A)
None
AER  A 601 ( 4.3A)
HEM  A 600 ( 3.3A)
HEM  A 600 ( 4.1A)
 0.58A 4nkxA-4r1zA:
50.5		 4nkxA-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_A_STRA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		6 / 12 ALA A 120
ASN A 209
GLY A 301
ALA A 302
ILE A 371
VAL A 480
 AER  A 602 (-3.7A)
AER  A 602 (-4.5A)
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 4.9A)
AER  A 602 ( 4.9A)
 1.07A 4nkxA-4r20A:
49.2		 4nkxA-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_A_STRA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		8 / 12 ALA A 120
ASN A 209
ILE A 212
GLY A 301
ALA A 302
THR A 306
ILE A 371
VAL A 481
 AER  A 602 (-3.7A)
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
HEM  A 601 ( 4.9A)
None
 0.65A 4nkxA-4r20A:
49.2		 4nkxA-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_A_STRA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		6 / 12 ALA A 120
PHE A 121
GLY A 301
ALA A 302
ILE A 371
VAL A 480
 AER  A 602 (-3.7A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 4.9A)
AER  A 602 ( 4.9A)
 0.96A 4nkxA-4r20A:
49.2		 4nkxA-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_A_STRA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		7 / 12 ALA A 120
PHE A 121
GLY A 301
ALA A 302
THR A 306
ILE A 371
VAL A 481
 AER  A 602 (-3.7A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
HEM  A 601 ( 4.9A)
None
 0.52A 4nkxA-4r20A:
49.2		 4nkxA-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_A_STRA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		6 / 12 ASN A 209
ILE A 212
ALA A 302
THR A 306
VAL A 480
VAL A 481
 AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
None
 0.79A 4nkxA-4r20A:
49.2		 4nkxA-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_A_STRA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		6 / 12 LEU A 112
ILE A 212
GLY A 301
THR A 306
ILE A 371
VAL A 481
 AER  A 602 ( 4.8A)
AER  A 602 (-3.2A)
AER  A 602 ( 3.8A)
HEM  A 601 ( 3.3A)
HEM  A 601 ( 4.9A)
None
 0.80A 4nkxA-4r20A:
49.2		 4nkxA-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_A_STRA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		6 / 12 LEU A 112
PHE A 121
GLY A 301
THR A 306
ILE A 371
VAL A 481
 AER  A 602 ( 4.8A)
None
AER  A 602 ( 3.8A)
HEM  A 601 ( 3.3A)
HEM  A 601 ( 4.9A)
None
 0.70A 4nkxA-4r20A:
49.2		 4nkxA-4r20A:
44.09
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.
4NKX_A_STRA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		8 / 12 LEU A 118
ALA A 126
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 None
HEM  A 601 (-3.8A)
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
AER  A 602 ( 4.7A)
None
 0.52A 4nkxA-6b82A:
48.6		 4nkxA-6b82A:
9.72
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.
4NKX_A_STRA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		8 / 12 LEU A 118
ALA A 126
ILE A 218
GLY A 312
THR A 317
ILE A 382
VAL A 493
VAL A 494
 None
HEM  A 601 (-3.8A)
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 ( 3.7A)
None
AER  A 602 ( 4.7A)
None
 0.62A 4nkxA-6b82A:
48.6		 4nkxA-6b82A:
9.72
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.
4NKX_A_STRA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		8 / 12 LEU A 118
ALA A 126
PHE A 127
ILE A 218
THR A 317
ILE A 382
VAL A 493
VAL A 494
 None
HEM  A 601 (-3.8A)
None
AER  A 602 (-3.9A)
HEM  A 601 ( 3.7A)
None
AER  A 602 ( 4.7A)
None
 0.60A 4nkxA-6b82A:
48.6		 4nkxA-6b82A:
9.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_A_STRA601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		4 / 6 ARG A 252
ASP A 309
GLU A 316
VAL A 377
 None
AER  A 601 ( 4.1A)
None
HEM  A 600 (-4.6A)
 0.85A 4nkxA-4r1zA:
50.5		 4nkxA-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_B_STRB601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		4 / 5 ILE A 218
ASP A 309
GLU A 316
VAL A 377
 AER  A 601 ( 4.3A)
AER  A 601 ( 4.1A)
None
HEM  A 600 (-4.6A)
 0.74A 4nkxB-4r1zA:
50.9		 4nkxB-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		5 / 12 ALA A 126
GLY A 312
ALA A 313
ILE A 382
VAL A 493
 HEM  A 600 (-3.6A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 4.1A)
None
 1.01A 4nkxC-4r1zA:
51.2		 4nkxC-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		8 / 12 LEU A 118
ALA A 126
ILE A 218
GLY A 312
ALA A 313
THR A 317
ILE A 382
VAL A 494
 None
HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
HEM  A 600 ( 4.1A)
None
 0.46A 4nkxC-4r1zA:
51.2		 4nkxC-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		8 / 12 LEU A 118
ALA A 126
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 None
HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
None
 0.63A 4nkxC-4r1zA:
51.2		 4nkxC-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		7 / 12 LEU A 118
ALA A 126
PHE A 127
ILE A 218
THR A 317
ILE A 382
VAL A 494
 None
HEM  A 600 (-3.6A)
None
AER  A 601 ( 4.3A)
HEM  A 600 ( 3.3A)
HEM  A 600 ( 4.1A)
None
 0.65A 4nkxC-4r1zA:
51.2		 4nkxC-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		6 / 12 ALA A 120
ASN A 209
GLY A 301
ALA A 302
ILE A 371
VAL A 480
 AER  A 602 (-3.7A)
AER  A 602 (-4.5A)
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 4.9A)
AER  A 602 ( 4.9A)
 1.05A 4nkxC-4r20A:
49.3		 4nkxC-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		6 / 12 ALA A 120
PHE A 121
GLY A 301
ALA A 302
ILE A 371
VAL A 480
 AER  A 602 (-3.7A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 4.9A)
AER  A 602 ( 4.9A)
 0.90A 4nkxC-4r20A:
49.3		 4nkxC-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		7 / 12 ALA A 120
PHE A 121
GLY A 301
ALA A 302
THR A 306
ILE A 371
VAL A 481
 AER  A 602 (-3.7A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
HEM  A 601 ( 4.9A)
None
 0.48A 4nkxC-4r20A:
49.3		 4nkxC-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		5 / 12 LEU A 112
ASN A 209
ILE A 212
ALA A 302
VAL A 480
 AER  A 602 ( 4.8A)
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
HEM  A 601 (-3.4A)
AER  A 602 ( 4.9A)
 0.81A 4nkxC-4r20A:
49.3		 4nkxC-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		6 / 12 LEU A 112
ASN A 209
ILE A 212
GLY A 301
ALA A 302
ILE A 371
 AER  A 602 ( 4.8A)
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 4.9A)
 0.86A 4nkxC-4r20A:
49.3		 4nkxC-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		5 / 12 LEU A 112
ILE A 212
ALA A 302
THR A 306
VAL A 480
 AER  A 602 ( 4.8A)
AER  A 602 (-3.2A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
 0.98A 4nkxC-4r20A:
49.3		 4nkxC-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		6 / 12 LEU A 112
ILE A 212
GLY A 301
ALA A 302
THR A 306
ILE A 371
 AER  A 602 ( 4.8A)
AER  A 602 (-3.2A)
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
HEM  A 601 ( 4.9A)
 0.84A 4nkxC-4r20A:
49.3		 4nkxC-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		7 / 12 LEU A 112
PHE A 121
GLY A 301
ALA A 302
THR A 306
ILE A 371
VAL A 481
 AER  A 602 ( 4.8A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
HEM  A 601 ( 4.9A)
None
 0.67A 4nkxC-4r20A:
49.3		 4nkxC-4r20A:
44.09
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.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		9 / 12 LEU A 118
ALA A 126
ILE A 218
GLY A 312
ALA A 313
THR A 317
ILE A 382
VAL A 493
VAL A 494
 None
HEM  A 601 (-3.8A)
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
None
AER  A 602 ( 4.7A)
None
 0.63A 4nkxC-6b82A:
48.9		 4nkxC-6b82A:
9.72
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.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		9 / 12 LEU A 118
ALA A 126
PHE A 127
ILE A 218
ALA A 313
THR A 317
ILE A 382
VAL A 493
VAL A 494
 None
HEM  A 601 (-3.8A)
None
AER  A 602 (-3.9A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
None
AER  A 602 ( 4.7A)
None
 0.67A 4nkxC-6b82A:
48.9		 4nkxC-6b82A:
9.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_C_STRC601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		4 / 5 ARG A 252
ASP A 309
GLU A 316
VAL A 377
 None
AER  A 601 ( 4.1A)
None
HEM  A 600 (-4.6A)
 0.87A 4nkxC-4r1zA:
51.2		 4nkxC-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_D_STRD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		5 / 12 ALA A 126
GLY A 312
ALA A 313
ILE A 382
VAL A 493
 HEM  A 600 (-3.6A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 4.1A)
None
 0.99A 4nkxD-4r1zA:
51.1		 4nkxD-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_D_STRD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		8 / 12 LEU A 118
ALA A 126
ILE A 218
GLY A 312
ALA A 313
THR A 317
ILE A 382
VAL A 494
 None
HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
HEM  A 600 ( 4.1A)
None
 0.46A 4nkxD-4r1zA:
51.1		 4nkxD-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_D_STRD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		8 / 12 LEU A 118
ALA A 126
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 None
HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
None
 0.61A 4nkxD-4r1zA:
51.1		 4nkxD-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_D_STRD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		6 / 12 LEU A 118
ALA A 126
PHE A 127
ILE A 218
THR A 317
ILE A 382
 None
HEM  A 600 (-3.6A)
None
AER  A 601 ( 4.3A)
HEM  A 600 ( 3.3A)
HEM  A 600 ( 4.1A)
 0.63A 4nkxD-4r1zA:
51.1		 4nkxD-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_D_STRD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		6 / 12 ALA A 120
PHE A 121
GLY A 301
ALA A 302
ILE A 371
VAL A 480
 AER  A 602 (-3.7A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 4.9A)
AER  A 602 ( 4.9A)
 0.89A 4nkxD-4r20A:
49.2		 4nkxD-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_D_STRD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		7 / 12 ALA A 120
PHE A 121
GLY A 301
ALA A 302
THR A 306
ILE A 371
VAL A 481
 AER  A 602 (-3.7A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
HEM  A 601 ( 4.9A)
None
 0.52A 4nkxD-4r20A:
49.2		 4nkxD-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_D_STRD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		5 / 12 LEU A 112
ILE A 212
ALA A 302
THR A 306
VAL A 480
 AER  A 602 ( 4.8A)
AER  A 602 (-3.2A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
 0.94A 4nkxD-4r20A:
49.2		 4nkxD-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_D_STRD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		6 / 12 LEU A 112
ILE A 212
GLY A 301
ALA A 302
THR A 306
ILE A 371
 AER  A 602 ( 4.8A)
AER  A 602 (-3.2A)
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
HEM  A 601 ( 4.9A)
 0.84A 4nkxD-4r20A:
49.2		 4nkxD-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_D_STRD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		7 / 12 LEU A 112
PHE A 121
GLY A 301
ALA A 302
THR A 306
ILE A 371
VAL A 481
 AER  A 602 ( 4.8A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
HEM  A 601 ( 4.9A)
None
 0.67A 4nkxD-4r20A:
49.2		 4nkxD-4r20A:
44.09
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.
4NKX_D_STRD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		9 / 12 LEU A 118
ALA A 126
PHE A 127
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 None
HEM  A 601 (-3.8A)
None
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
AER  A 602 ( 4.7A)
None
 0.64A 4nkxD-6b82A:
48.7		 4nkxD-6b82A:
9.72
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.
4NKX_D_STRD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		9 / 12 LEU A 118
ALA A 126
PHE A 127
ILE A 218
GLY A 312
THR A 317
ILE A 382
VAL A 493
VAL A 494
 None
HEM  A 601 (-3.8A)
None
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 ( 3.7A)
None
AER  A 602 ( 4.7A)
None
 0.65A 4nkxD-6b82A:
48.7		 4nkxD-6b82A:
9.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_D_STRD601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		4 / 5 ARG A 252
ASP A 309
GLU A 316
VAL A 377
 None
AER  A 601 ( 4.1A)
None
HEM  A 600 (-4.6A)
 0.77A 4nkxD-4r1zA:
51.1		 4nkxD-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R1Z_A_AERA601_1
(CYP17A1 PROTEIN)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		7 / 9 ALA A 120
TYR A 208
ILE A 212
GLY A 301
ALA A 302
THR A 306
VAL A 480
 AER  A 602 (-3.7A)
None
AER  A 602 (-3.2A)
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
 0.74A 4r1zA-4r20A:
24.7		 4r1zA-4r20A:
46.99
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.
4R1Z_A_AERA601_1
(CYP17A1 PROTEIN)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		7 / 9 ALA A 126
TYR A 214
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 493
 HEM  A 601 (-3.8A)
None
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
AER  A 602 ( 4.7A)
 0.68A 4r1zA-6b82A:
52.7		 4r1zA-6b82A:
13.16
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.
4R1Z_A_AERA601_1
(CYP17A1 PROTEIN)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		6 / 9 ALA A 126
TYR A 214
SER A 215
GLY A 312
ALA A 313
VAL A 494
 HEM  A 601 (-3.8A)
None
AER  A 602 (-3.4A)
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
None
 0.99A 4r1zA-6b82A:
52.7		 4r1zA-6b82A:
13.16
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.
4R1Z_A_AERA601_1
(CYP17A1 PROTEIN)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		7 / 9 ALA A 126
TYR A 214
SER A 215
ILE A 218
GLY A 312
ALA A 313
THR A 317
 HEM  A 601 (-3.8A)
None
AER  A 602 (-3.4A)
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
 0.44A 4r1zA-6b82A:
52.7		 4r1zA-6b82A:
13.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R1Z_B_AERB601_1
(CYP17A1 PROTEIN)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		6 / 7 ALA A 120
GLY A 301
ALA A 302
GLU A 305
THR A 306
SER A 367
 AER  A 602 (-3.7A)
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
None
HEM  A 601 ( 3.3A)
AER  A 602 (-3.5A)
 0.50A 4r1zB-4r20A:
50.3		 4r1zB-4r20A:
46.99
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.
4R1Z_B_AERB601_1
(CYP17A1 PROTEIN)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		7 / 7 ALA A 126
SER A 215
GLY A 312
ALA A 313
GLU A 316
THR A 317
SER A 378
 HEM  A 601 (-3.8A)
AER  A 602 (-3.4A)
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
None
HEM  A 601 ( 3.7A)
AER  A 602 (-3.2A)
 0.58A 4r1zB-6b82A:
52.1		 4r1zB-6b82A:
13.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R20_A_AERA602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		5 / 8 ALA A 126
ILE A 218
GLY A 312
THR A 317
VAL A 377
 HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
AER  A 601 ( 3.7A)
HEM  A 600 ( 3.3A)
HEM  A 600 (-4.6A)
 0.78A 4r20A-4r1zA:
50.0		 4r20A-4r1zA:
46.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R20_A_AERA602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		4 / 8 ALA A 126
ILE A 218
THR A 317
SER A 378
 HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
HEM  A 600 ( 3.3A)
HEM  A 600 ( 4.6A)
 0.70A 4r20A-4r1zA:
50.0		 4r20A-4r1zA:
46.99
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.
4R20_A_AERA602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		6 / 8 ALA A 126
GLU A 309
GLY A 312
THR A 317
VAL A 377
SER A 378
 HEM  A 601 (-3.8A)
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 ( 3.7A)
HEM  A 601 ( 4.4A)
AER  A 602 (-3.2A)
 0.51A 4r20A-6b82A:
47.5		 4r20A-6b82A:
9.98
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.
4R20_A_AERA602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		6 / 8 ALA A 126
ILE A 218
GLU A 309
GLY A 312
THR A 317
SER A 378
 HEM  A 601 (-3.8A)
AER  A 602 (-3.9A)
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 ( 3.7A)
AER  A 602 (-3.2A)
 0.69A 4r20A-6b82A:
47.5		 4r20A-6b82A:
9.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R20_B_AERB602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		8 / 9 ALA A 126
PHE A 127
ILE A 218
VAL A 219
GLY A 312
THR A 317
SER A 378
VAL A 493
 HEM  A 600 (-3.6A)
None
AER  A 601 ( 4.3A)
None
AER  A 601 ( 3.7A)
HEM  A 600 ( 3.3A)
HEM  A 600 ( 4.6A)
None
 0.88A 4r20B-4r1zA:
49.2		 4r20B-4r1zA:
46.99
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.
4R20_B_AERB602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		6 / 9 ALA A 126
PHE A 127
ILE A 218
GLY A 312
THR A 317
SER A 378
 HEM  A 601 (-3.8A)
None
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 ( 3.7A)
AER  A 602 (-3.2A)
 0.75A 4r20B-6b82A:
47.0		 4r20B-6b82A:
9.98
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.
4R20_B_AERB602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		6 / 9 ALA A 126
PHE A 127
ILE A 218
VAL A 219
GLY A 312
THR A 317
 HEM  A 601 (-3.8A)
None
AER  A 602 (-3.9A)
AER  A 602 (-4.8A)
AER  A 602 ( 3.7A)
HEM  A 601 ( 3.7A)
 0.85A 4r20B-6b82A:
47.0		 4r20B-6b82A:
9.98
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.
4R20_B_AERB602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		5 / 9 ALA A 126
PHE A 127
VAL A 219
GLY A 312
VAL A 494
 HEM  A 601 (-3.8A)
None
AER  A 602 (-4.8A)
AER  A 602 ( 3.7A)
None
 1.24A 4r20B-6b82A:
47.0		 4r20B-6b82A:
9.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R21_A_STRA601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		4 / 6 ALA A 126
ILE A 218
SER A 378
ILE A 382
 HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
HEM  A 600 ( 4.6A)
HEM  A 600 ( 4.1A)
 0.79A 4r21A-4r1zA:
49.0		 4r21A-4r1zA:
46.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R21_A_STRA601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		6 / 6 ALA A 120
ILE A 212
GLY A 301
SER A 367
ILE A 371
VAL A 480
 AER  A 602 (-3.7A)
AER  A 602 (-3.2A)
AER  A 602 ( 3.8A)
AER  A 602 (-3.5A)
HEM  A 601 ( 4.9A)
AER  A 602 ( 4.9A)
 0.78A 4r21A-4r20A:
58.8		 4r21A-4r20A:
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.
4R21_A_STRA601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		4 / 6 ALA A 126
ILE A 218
SER A 378
ILE A 382
 HEM  A 601 (-3.8A)
AER  A 602 (-3.9A)
AER  A 602 (-3.2A)
None
 0.48A 4r21A-6b82A:
46.5		 4r21A-6b82A:
9.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R21_B_STRB601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		7 / 9 ALA A 126
ILE A 218
VAL A 219
ALA A 313
THR A 317
SER A 378
ILE A 382
 HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
None
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
HEM  A 600 ( 4.6A)
HEM  A 600 ( 4.1A)
 1.00A 4r21B-4r1zA:
49.1		 4r21B-4r1zA:
46.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R21_B_STRB601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		7 / 9 ALA A 126
ILE A 218
VAL A 219
ALA A 313
THR A 317
SER A 378
VAL A 493
 HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
None
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
HEM  A 600 ( 4.6A)
None
 1.09A 4r21B-4r1zA:
49.1		 4r21B-4r1zA:
46.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R21_B_STRB601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		6 / 9 ALA A 126
VAL A 219
GLY A 312
ALA A 313
THR A 317
ILE A 382
 HEM  A 600 (-3.6A)
None
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
HEM  A 600 ( 4.1A)
 1.16A 4r21B-4r1zA:
49.1		 4r21B-4r1zA:
46.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R21_B_STRB601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		6 / 9 ALA A 126
VAL A 219
GLY A 312
ALA A 313
THR A 317
VAL A 493
 HEM  A 600 (-3.6A)
None
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
 1.21A 4r21B-4r1zA:
49.1		 4r21B-4r1zA:
46.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R21_B_STRB601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		5 / 9 ALA A 120
GLY A 301
ALA A 302
ILE A 371
VAL A 481
 AER  A 602 (-3.7A)
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 4.9A)
None
 0.99A 4r21B-4r20A:
59.5		 4r21B-4r20A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R21_B_STRB601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2
(Danio
rerio) 		9 / 9 ALA A 120
ILE A 212
VAL A 213
GLY A 301
ALA A 302
THR A 306
SER A 367
ILE A 371
VAL A 480
 AER  A 602 (-3.7A)
AER  A 602 (-3.2A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
AER  A 602 (-3.5A)
HEM  A 601 ( 4.9A)
AER  A 602 ( 4.9A)
 0.76A 4r21B-4r20A:
59.5		 4r21B-4r20A:
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.
4R21_B_STRB601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		6 / 9 ALA A 126
ILE A 218
GLY A 312
ALA A 313
THR A 317
SER A 378
 HEM  A 601 (-3.8A)
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
AER  A 602 (-3.2A)
 1.15A 4r21B-6b82A:
46.9		 4r21B-6b82A:
9.98
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.
4R21_B_STRB601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		6 / 9 ALA A 126
ILE A 218
GLY A 312
THR A 317
SER A 378
ILE A 382
 HEM  A 601 (-3.8A)
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 ( 3.7A)
AER  A 602 (-3.2A)
None
 1.08A 4r21B-6b82A:
46.9		 4r21B-6b82A:
9.98
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.
4R21_B_STRB601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		6 / 9 ALA A 126
ILE A 218
VAL A 219
GLY A 312
ALA A 313
THR A 317
 HEM  A 601 (-3.8A)
AER  A 602 (-3.9A)
AER  A 602 (-4.8A)
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
 1.19A 4r21B-6b82A:
46.9		 4r21B-6b82A:
9.98
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.
4R21_B_STRB601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		5 / 9 ILE A 218
VAL A 219
ALA A 313
THR A 317
VAL A 493
 AER  A 602 (-3.9A)
AER  A 602 (-4.8A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
AER  A 602 ( 4.7A)
 0.81A 4r21B-6b82A:
46.9		 4r21B-6b82A:
9.98
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.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1
(Danio
rerio) 		5 / 9 GLY A 312
TYR A 214
VAL A 315
GLU A 316
GLY A 308
 AER  A 602 ( 3.7A)
None
None
None
None
 1.13A 5zniA-6b82A:
undetectable		 5zniA-6b82A:
17.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_B_QPSB601_2
(-)		 4r1z CYP17A1 PROTEIN
(Danio
rerio) 		5 / 12 GLY A 181
LEU A 184
GLY A 312
GLN A 496
PRO A 497
 None
None
AER  A 601 ( 3.7A)
None
None
 1.05A 6gngB-4r1zA:
undetectable		 6gngB-4r1zA:
21.88