SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4nky'

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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTI_F_CCSF47_0
(GLUTATHIONE
S-TRANSFERASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		4 / 5 THR A 260
LEU A 263
LYS A 253
TYR A 250
 None
 1.37A 1gtiF-4nkyA:
undetectable		 1gtiF-4nkyA:
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.
1HPV_B_478B200_1
(HIV-1 PROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 9 LEU A 396
VAL A  76
ILE A 381
ILE A  87
ILE A 394
 None
 0.79A 1hpvA-4nkyA:
undetectable		 1hpvA-4nkyA:
11.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HSH_A_MK1A401_2
(HIV-II PROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 9 ILE A 179
GLY A 444
ILE A 446
ILE A 145
ILE A 182
 None
HEM  A 600 ( 3.7A)
None
None
None
 0.81A 1hshB-4nkyA:
undetectable		 1hshB-4nkyA:
13.28
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.
1HSH_C_MK1C402_1
(HIV-II PROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 ILE A 179
GLY A 444
ILE A 446
ILE A 145
ILE A 182
 None
HEM  A 600 ( 3.7A)
None
None
None
 0.89A 1hshC-4nkyA:
undetectable		 1hshC-4nkyA:
13.28
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.
1HXB_A_ROCA100_3
(HIV-1 PROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 LEU A 396
VAL A  76
ILE A 381
ILE A  87
ILE A 394
 None
 0.82A 1hxbB-4nkyA:
undetectable		 1hxbB-4nkyA:
11.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ISM_B_NCAB305_0
(BONE MARROW STROMAL
CELL ANTIGEN 1)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		4 / 7 LEU A 476
SER A 475
ASP A 487
TRP A 313
 None
 1.11A 1ismB-4nkyA:
undetectable		 1ismB-4nkyA:
19.43
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		6 / 9 LEU A 105
ALA A 113
PHE A 114
GLY A 301
ALA A 302
THR A 306
 3QZ  A 601 ( 4.2A)
HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
 1.07A 1nr6A-4nkyA:
44.8		 1nr6A-4nkyA:
32.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OHR_A_1UNA201_2
(ASPARTYLPROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 9 LEU A 396
VAL A  76
ILE A 381
ILE A  87
ILE A 394
 None
 0.98A 1ohrB-4nkyA:
undetectable		 1ohrB-4nkyA:
11.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OSV_B_CHCB201_1
(BILE ACID RECEPTOR)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 LEU A 195
SER A 180
ILE A 179
PHE A 300
ILE A 198
 None
 1.29A 1osvB-4nkyA:
1.4		 1osvB-4nkyA:
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.
1OT7_B_IU5B1002_1
(BILE ACID RECEPTOR)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 LEU A 195
SER A 180
ILE A 179
PHE A 300
ILE A 198
 None
 1.27A 1ot7B-4nkyA:
1.6		 1ot7B-4nkyA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PJ7_A_FFOA2887_0
(N,N-DIMETHYLGLYCINE
OXIDASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 LEU A 370
TYR A 432
GLY A 436
LEU A 399
PHE A 417
 HEM  A 600 (-3.2A)
None
HEM  A 600 ( 3.8A)
None
None
 1.07A 1pj7A-4nkyA:
undetectable		 1pj7A-4nkyA:
19.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1R9O_A_FLPA501_1
(CYTOCHROME P450 2C9)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 LEU A 209
ASP A 298
GLY A 301
ALA A 302
THR A 306
 3QZ  A 601 ( 4.8A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
 0.93A 1r9oA-4nkyA:
43.3		 1r9oA-4nkyA:
32.16
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.
1X70_B_715B801_2
(DIPEPTIDYL PEPTIDASE
IV)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		3 / 3 PHE A  42
TYR A  64
TYR A  60
 None
 1.04A 1x70B-4nkyA:
undetectable		 1x70B-4nkyA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YVP_A_ACTA2001_0
(60-KDA SS-A/RO
RIBONUCLEOPROTEIN)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		4 / 5 TYR A 250
SER A 258
THR A 260
ASN A 261
 None
 1.03A 1yvpA-4nkyA:
undetectable		 1yvpA-4nkyA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YVP_B_ACTB2002_0
(60-KDA SS-A/RO
RIBONUCLEOPROTEIN)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		4 / 6 TYR A 250
SER A 258
THR A 260
ASN A 261
 None
 0.80A 1yvpB-4nkyA:
undetectable		 1yvpB-4nkyA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CDQ_A_SAMA1500_0
(ASPARTOKINASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		4 / 8 ILE A 344
SER A 345
ASP A 346
LEU A 454
 None
 0.89A 2cdqA-4nkyA:
undetectable		 2cdqA-4nkyA:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PNJ_B_CHDB501_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 MET A  68
LEU A 217
LEU A  40
ILE A 393
SER A  39
 None
 1.37A 2pnjB-4nkyA:
undetectable		 2pnjB-4nkyA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q64_B_1UNB1001_1
(PROTEASE RETROPEPSIN)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 LEU A 396
VAL A  76
ILE A 381
ILE A  87
ILE A 394
 None
 0.84A 2q64A-4nkyA:
undetectable		 2q64A-4nkyA:
12.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2R5P_B_MK1B902_1
(PROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 LEU A 396
VAL A  76
ILE A 381
ILE A  87
ILE A 394
 None
 0.89A 2r5pA-4nkyA:
undetectable		 2r5pA-4nkyA:
13.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2R5P_D_MK1D902_1
(PROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 LEU A 396
VAL A  76
ILE A 381
ILE A  87
ILE A 394
 None
 0.89A 2r5pC-4nkyA:
undetectable		 2r5pC-4nkyA:
13.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AQI_B_CHDB6_0
(FERROCHELATASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 MET A  68
LEU A 217
LEU A  40
ILE A 393
SER A  39
 None
 1.20A 3aqiB-4nkyA:
undetectable		 3aqiB-4nkyA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_B_SVRB512_1
(PHOSPHOLIPASE A2)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		4 / 5 VAL A 310
VAL A 311
THR A 356
THR A 306
 None
None
None
HEM  A 600 ( 3.2A)
 1.17A 3bjwA-4nkyA:
undetectable		 3bjwA-4nkyA:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_E_SVRE510_3
(PHOSPHOLIPASE A2)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		4 / 5 VAL A 310
VAL A 311
THR A 356
THR A 306
 None
None
None
HEM  A 600 ( 3.2A)
 1.08A 3bjwG-4nkyA:
undetectable		 3bjwG-4nkyA:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_F_SVRF509_1
(PHOSPHOLIPASE A2)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		4 / 5 VAL A 310
VAL A 311
THR A 356
THR A 306
 None
None
None
HEM  A 600 ( 3.2A)
 1.16A 3bjwC-4nkyA:
undetectable		 3bjwC-4nkyA:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_H_SVRH511_2
(PHOSPHOLIPASE A2)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		4 / 5 VAL A 310
VAL A 311
THR A 356
THR A 306
 None
None
None
HEM  A 600 ( 3.2A)
 1.19A 3bjwD-4nkyA:
undetectable		 3bjwD-4nkyA:
14.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3E4E_A_4PZA501_1
(CYTOCHROME P450 2E1)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		3 / 3 ALA A 302
THR A 306
CYH A 442
 3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
HEM  A 600 (-2.6A)
 0.69A 3e4eA-4nkyA:
43.8		 3e4eA-4nkyA:
31.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3E4E_B_4PZB501_1
(CYTOCHROME P450 2E1)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		3 / 3 ALA A 302
THR A 306
CYH A 442
 3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
HEM  A 600 (-2.6A)
 0.60A 3e4eB-4nkyA:
41.0		 3e4eB-4nkyA:
31.70
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.
3EBZ_B_017B201_1
(PROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 11 ILE A 179
GLY A 444
ILE A 446
ILE A 145
ILE A 182
 None
HEM  A 600 ( 3.7A)
None
None
None
 0.88A 3ebzA-4nkyA:
undetectable		 3ebzA-4nkyA:
13.28
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.
3EKP_C_478C200_2
(PROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 10 LEU A 396
VAL A  76
ILE A 381
ILE A  87
ILE A 394
 None
 0.87A 3ekpD-4nkyA:
undetectable		 3ekpD-4nkyA:
12.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKQ_A_ROCA100_2
(PROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 9 LEU A 396
VAL A  76
ILE A 381
ILE A  87
ILE A 394
 None
 0.97A 3ekqB-4nkyA:
undetectable		 3ekqB-4nkyA:
12.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FSU_A_C2FA995_0
(5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 THR A 295
SER A 273
ASN A 272
GLN A 268
LEU A 287
 None
 1.13A 3fsuA-4nkyA:
undetectable		 3fsuA-4nkyA:
20.16
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.
3HRD_B_NIOB5661_1
(NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		4 / 8 ILE A 205
PHE A 114
THR A 294
ALA A 113
 3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.1A)
None
HEM  A 600 ( 2.9A)
 0.84A 3hrdA-4nkyA:
undetectable
3hrdB-4nkyA:
0.4		 3hrdA-4nkyA:
21.41
3hrdB-4nkyA:
22.16
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.
3JVY_B_017B401_2
(GAG-POL POLYPROTEIN)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 LEU A 396
VAL A  76
ILE A 381
ILE A  87
ILE A 394
 None
 0.85A 3jvyB-4nkyA:
undetectable		 3jvyB-4nkyA:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_D_ROCD201_1
(HIV-1 PROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 LEU A 396
VAL A  76
ILE A 381
ILE A  87
ILE A 394
 None
 0.77A 3k4vC-4nkyA:
undetectable		 3k4vC-4nkyA:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MWS_B_017B201_2
(HIV-1 PROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 LEU A 396
VAL A  76
ILE A 381
ILE A  87
ILE A 394
 None
 0.90A 3mwsB-4nkyA:
undetectable		 3mwsB-4nkyA:
13.99
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.
3NDU_D_ROCD100_1
(PROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 LEU A 396
VAL A  76
ILE A 381
ILE A  87
ILE A 394
 None
 0.77A 3nduC-4nkyA:
undetectable		 3nduC-4nkyA:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PWR_A_ROCA401_3
(PROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 LEU A 396
VAL A  76
ILE A 381
ILE A  87
ILE A 394
 None
 0.90A 3pwrB-4nkyA:
undetectable		 3pwrB-4nkyA:
13.03
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		12 / 12 ALA A 113
PHE A 114
TYR A 201
ASN A 202
ILE A 205
LEU A 209
ASP A 298
ALA A 302
THR A 306
VAL A 366
CYH A 442
VAL A 482
 HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
None
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.8A)
3QZ  A 601 (-3.5A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
HEM  A 600 ( 3.4A)
HEM  A 600 (-2.6A)
3QZ  A 601 (-4.1A)
 0.41A 3rukA-4nkyA:
63.0		 3rukA-4nkyA:
99.80
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		6 / 12 ASN A 202
ILE A 205
LEU A 105
ALA A 302
THR A 306
CYH A 442
 3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.2A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
HEM  A 600 (-2.6A)
 1.45A 3rukA-4nkyA:
63.0		 3rukA-4nkyA:
99.80
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		12 / 12 ALA A 113
PHE A 114
ASN A 202
ILE A 205
ILE A 206
LEU A 209
ASP A 298
GLY A 301
ALA A 302
THR A 306
VAL A 482
VAL A 483
 HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.6A)
3QZ  A 601 ( 4.8A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
3QZ  A 601 (-4.1A)
3QZ  A 601 (-4.1A)
 0.38A 3rukB-4nkyA:
62.9		 3rukB-4nkyA:
99.80
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		9 / 9 ALA A 113
PHE A 114
TYR A 201
ASN A 202
ILE A 205
ARG A 239
ASP A 298
GLU A 305
THR A 306
 HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
None
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.4A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 4.9A)
HEM  A 600 ( 3.2A)
 0.43A 3rukC-4nkyA:
59.1		 3rukC-4nkyA:
99.80
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		11 / 11 ALA A 113
PHE A 114
TYR A 201
ASN A 202
ILE A 205
ARG A 239
ASP A 298
GLY A 301
ALA A 302
THR A 306
VAL A 366
 HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
None
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.4A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
HEM  A 600 ( 3.4A)
 0.37A 3rukD-4nkyA:
59.3		 3rukD-4nkyA:
99.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S43_A_478A401_1
(PROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 9 ILE A 179
GLY A 444
ILE A 446
ILE A 145
ILE A 182
 None
HEM  A 600 ( 3.7A)
None
None
None
 0.92A 3s43A-4nkyA:
undetectable		 3s43A-4nkyA:
12.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S45_B_478B201_1
(PROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 9 ILE A 179
GLY A 444
ILE A 446
ILE A 145
ILE A 182
 None
HEM  A 600 ( 3.7A)
None
None
None
 0.84A 3s45A-4nkyA:
undetectable		 3s45A-4nkyA:
13.28
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.
3S53_A_017A201_2
(PROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 11 ILE A 179
GLY A 444
ILE A 446
ILE A 145
ILE A 182
 None
HEM  A 600 ( 3.7A)
None
None
None
 0.74A 3s53B-4nkyA:
undetectable		 3s53B-4nkyA:
13.03
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		4 / 8 ALA A 113
PHE A 114
ALA A 302
THR A 306
 HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
 0.51A 3t3sD-4nkyA:
43.6		 3t3sD-4nkyA:
31.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKG_C_ROCC901_2
(PROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 LEU A 396
VAL A  76
ILE A 381
ILE A  87
ILE A 394
 None
 0.99A 3tkgD-4nkyA:
undetectable		 3tkgD-4nkyA:
12.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W1W_A_CHDA1502_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 MET A  68
LEU A 217
LEU A  40
ILE A 393
SER A  39
 None
 1.26A 3w1wA-4nkyA:
undetectable		 3w1wA-4nkyA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_B_ZPCB1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 ILE A 393
ASN A 395
HIS A  48
VAL A 215
PHE A  42
 None
 1.38A 4a97A-4nkyA:
0.6
4a97B-4nkyA:
0.7		 4a97A-4nkyA:
24.40
4a97B-4nkyA:
24.40
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.
4JEC_B_478B401_2
(HIV-1 PROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 GLY A 301
VAL A 178
GLY A 444
ILE A 443
ILE A 179
 3QZ  A 601 ( 3.0A)
None
HEM  A 600 ( 3.7A)
HEM  A 600 ( 4.1A)
None
 0.94A 4jecB-4nkyA:
undetectable		 4jecB-4nkyA:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJT_D_017D101_1
(PROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 11 LEU A 396
VAL A  76
ILE A 381
ILE A  87
ILE A 394
 None
 0.92A 4njtC-4nkyA:
undetectable		 4njtC-4nkyA:
13.57
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		11 / 12 LEU A 105
ALA A 113
PHE A 114
ASN A 202
ILE A 205
ILE A 206
GLY A 301
ALA A 302
THR A 306
VAL A 482
VAL A 483
 3QZ  A 601 ( 4.2A)
HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.6A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
3QZ  A 601 (-4.1A)
3QZ  A 601 (-4.1A)
 0.28A 4nkvA-4nkyA:
63.7		 4nkvA-4nkyA:
100.00
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		7 / 12 LEU A 105
ALA A 113
PHE A 114
ILE A 205
ARG A 239
ALA A 302
VAL A 482
 3QZ  A 601 ( 4.2A)
HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.4A)
3QZ  A 601 (-2.9A)
3QZ  A 601 (-4.1A)
 0.54A 4nkvA-4nkyA:
63.7		 4nkvA-4nkyA:
100.00
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 LEU A 105
ALA A 113
PHE A 114
ILE A 205
GLY A 297
 3QZ  A 601 ( 4.2A)
HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 ( 3.4A)
None
 1.09A 4nkvA-4nkyA:
63.7		 4nkvA-4nkyA:
100.00
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 5 TYR A 201
LEU A 209
ASP A 298
GLU A 305
VAL A 366
 None
3QZ  A 601 ( 4.8A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 4.9A)
HEM  A 600 ( 3.4A)
 0.30A 4nkvA-4nkyA:
63.7		 4nkvA-4nkyA:
100.00
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		12 / 12 LEU A 105
ALA A 113
PHE A 114
ASN A 202
ILE A 205
ILE A 206
LEU A 209
GLY A 301
ALA A 302
THR A 306
VAL A 482
VAL A 483
 3QZ  A 601 ( 4.2A)
HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.6A)
3QZ  A 601 ( 4.8A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
3QZ  A 601 (-4.1A)
3QZ  A 601 (-4.1A)
 0.28A 4nkvB-4nkyA:
63.3		 4nkvB-4nkyA:
100.00
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 5 TYR A 201
ARG A 239
ASP A 298
GLU A 305
VAL A 366
 None
3QZ  A 601 ( 4.4A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 4.9A)
HEM  A 600 ( 3.4A)
 0.49A 4nkvB-4nkyA:
63.3		 4nkvB-4nkyA:
100.00
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		12 / 12 LEU A 105
ALA A 113
PHE A 114
ASN A 202
ILE A 205
ILE A 206
ARG A 239
GLY A 301
ALA A 302
THR A 306
VAL A 482
VAL A 483
 3QZ  A 601 ( 4.2A)
HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.6A)
3QZ  A 601 ( 4.4A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
3QZ  A 601 (-4.1A)
3QZ  A 601 (-4.1A)
 0.31A 4nkvC-4nkyA:
60.8		 4nkvC-4nkyA:
100.00
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 LEU A 105
ALA A 113
PHE A 114
ILE A 205
GLY A 297
 3QZ  A 601 ( 4.2A)
HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 ( 3.4A)
None
 1.11A 4nkvC-4nkyA:
60.8		 4nkvC-4nkyA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKV_C_AERC601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		6 / 6 TYR A 201
LEU A 209
ASP A 298
GLU A 305
VAL A 366
ALA A 367
 None
3QZ  A 601 ( 4.8A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 4.9A)
HEM  A 600 ( 3.4A)
HEM  A 600 ( 3.1A)
 0.28A 4nkvC-4nkyA:
60.8		 4nkvC-4nkyA:
100.00
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		12 / 12 LEU A 105
ALA A 113
PHE A 114
ASN A 202
ILE A 205
ILE A 206
ARG A 239
GLY A 301
ALA A 302
THR A 306
VAL A 482
VAL A 483
 3QZ  A 601 ( 4.2A)
HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.6A)
3QZ  A 601 ( 4.4A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
3QZ  A 601 (-4.1A)
3QZ  A 601 (-4.1A)
 0.32A 4nkvD-4nkyA:
61.4		 4nkvD-4nkyA:
100.00
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 LEU A 105
ALA A 113
PHE A 114
ILE A 205
GLY A 297
 3QZ  A 601 ( 4.2A)
HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 ( 3.4A)
None
 1.12A 4nkvD-4nkyA:
61.4		 4nkvD-4nkyA:
100.00
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 5 TYR A 201
GLY A 297
ASP A 298
GLU A 305
VAL A 366
 None
None
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 4.9A)
HEM  A 600 ( 3.4A)
 0.25A 4nkvD-4nkyA:
61.4		 4nkvD-4nkyA:
100.00
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		12 / 12 LEU A 105
ALA A 113
PHE A 114
ASN A 202
ILE A 205
ILE A 206
GLY A 301
ALA A 302
THR A 306
ILE A 371
VAL A 482
VAL A 483
 3QZ  A 601 ( 4.2A)
HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.6A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
HEM  A 600 (-3.8A)
3QZ  A 601 (-4.1A)
3QZ  A 601 (-4.1A)
 0.21A 4nkxA-4nkyA:
63.6		 4nkxA-4nkyA:
100.00
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		6 / 6 LEU A 209
ARG A 239
ASP A 298
GLU A 305
VAL A 366
ALA A 367
 3QZ  A 601 ( 4.8A)
3QZ  A 601 ( 4.4A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 4.9A)
HEM  A 600 ( 3.4A)
HEM  A 600 ( 3.1A)
 0.18A 4nkxA-4nkyA:
63.6		 4nkxA-4nkyA:
100.00
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 5 ILE A 205
LEU A 209
ASP A 298
GLU A 305
VAL A 366
 3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.8A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 4.9A)
HEM  A 600 ( 3.4A)
 0.22A 4nkxB-4nkyA:
63.5		 4nkxB-4nkyA:
100.00
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 ALA A 113
ILE A 206
ALA A 302
ILE A 371
VAL A 366
 HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.6A)
3QZ  A 601 (-2.9A)
HEM  A 600 (-3.8A)
HEM  A 600 ( 3.4A)
 1.05A 4nkxC-4nkyA:
60.7		 4nkxC-4nkyA:
100.00
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		12 / 12 LEU A 105
ALA A 113
PHE A 114
ASN A 202
ILE A 205
GLY A 301
ALA A 302
THR A 306
ALA A 367
ILE A 371
VAL A 482
VAL A 483
 3QZ  A 601 ( 4.2A)
HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
HEM  A 600 ( 3.1A)
HEM  A 600 (-3.8A)
3QZ  A 601 (-4.1A)
3QZ  A 601 (-4.1A)
 0.26A 4nkxC-4nkyA:
60.7		 4nkxC-4nkyA:
100.00
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 5 ILE A 206
ARG A 239
ASP A 298
GLU A 305
VAL A 366
 3QZ  A 601 ( 4.6A)
3QZ  A 601 ( 4.4A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 4.9A)
HEM  A 600 ( 3.4A)
 0.31A 4nkxC-4nkyA:
60.7		 4nkxC-4nkyA:
100.00
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 ALA A 113
ILE A 206
ALA A 302
ILE A 371
VAL A 366
 HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.6A)
3QZ  A 601 (-2.9A)
HEM  A 600 (-3.8A)
HEM  A 600 ( 3.4A)
 1.05A 4nkxD-4nkyA:
60.4		 4nkxD-4nkyA:
100.00
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		12 / 12 LEU A 105
ALA A 113
PHE A 114
ASN A 202
ILE A 205
GLY A 301
ALA A 302
THR A 306
ALA A 367
ILE A 371
VAL A 482
VAL A 483
 3QZ  A 601 ( 4.2A)
HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
HEM  A 600 ( 3.1A)
HEM  A 600 (-3.8A)
3QZ  A 601 (-4.1A)
3QZ  A 601 (-4.1A)
 0.30A 4nkxD-4nkyA:
60.4		 4nkxD-4nkyA:
100.00
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 5 ILE A 206
ARG A 239
ASP A 298
GLU A 305
VAL A 366
 3QZ  A 601 ( 4.6A)
3QZ  A 601 ( 4.4A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 4.9A)
HEM  A 600 ( 3.4A)
 0.29A 4nkxD-4nkyA:
60.4		 4nkxD-4nkyA:
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.
4QGI_A_ROCA101_2
(PROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 11 LEU A 396
VAL A  76
ILE A 381
ILE A  87
ILE A 394
 None
 0.93A 4qgiB-4nkyA:
undetectable		 4qgiB-4nkyA:
10.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QOP_C_HQEC503_1
(CATALASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		4 / 8 PHE A 172
LEU A 195
TYR A 188
PHE A 300
 None
 0.94A 4qopC-4nkyA:
undetectable		 4qopC-4nkyA:
21.38
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 9 ALA A 113
ASP A 298
GLY A 301
ALA A 302
VAL A 483
 HEM  A 600 ( 2.9A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-2.9A)
3QZ  A 601 (-4.1A)
 0.96A 4r1zA-4nkyA:
51.1		 4r1zA-4nkyA:
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		8 / 9 ALA A 113
TYR A 201
ILE A 205
ASP A 298
GLY A 301
ALA A 302
THR A 306
VAL A 482
 HEM  A 600 ( 2.9A)
None
3QZ  A 601 ( 3.4A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
3QZ  A 601 (-4.1A)
 0.68A 4r1zA-4nkyA:
51.1		 4r1zA-4nkyA:
46.37
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 7 ALA A 113
GLY A 301
ALA A 302
GLU A 305
THR A 306
 HEM  A 600 ( 2.9A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-2.9A)
3QZ  A 601 ( 4.9A)
HEM  A 600 ( 3.2A)
 0.64A 4r1zB-4nkyA:
50.5		 4r1zB-4nkyA:
46.37
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 8 ALA A 113
ASN A 202
GLY A 301
THR A 306
VAL A 366
 HEM  A 600 ( 2.9A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.0A)
HEM  A 600 ( 3.2A)
HEM  A 600 ( 3.4A)
 0.71A 4r20A-4nkyA:
49.9		 4r20A-4nkyA:
44.09
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		4 / 8 ASN A 202
ILE A 205
GLY A 301
THR A 306
 3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 3.0A)
HEM  A 600 ( 3.2A)
 0.57A 4r20A-4nkyA:
49.9		 4r20A-4nkyA:
44.09
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 9 ALA A 113
PHE A 114
ASN A 202
GLY A 301
VAL A 483
 HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-4.1A)
 0.94A 4r20B-4nkyA:
49.2		 4r20B-4nkyA:
44.09
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		6 / 9 ALA A 113
PHE A 114
ASN A 202
ILE A 205
GLY A 301
THR A 306
 HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 3.0A)
HEM  A 600 ( 3.2A)
 0.80A 4r20B-4nkyA:
49.2		 4r20B-4nkyA:
44.09
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 9 ASN A 202
ILE A 205
GLY A 301
THR A 306
VAL A 482
 3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 3.0A)
HEM  A 600 ( 3.2A)
3QZ  A 601 (-4.1A)
 0.81A 4r20B-4nkyA:
49.2		 4r20B-4nkyA:
44.09
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		4 / 6 ALA A 113
ILE A 205
GLY A 301
ILE A 371
 HEM  A 600 ( 2.9A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 3.0A)
HEM  A 600 (-3.8A)
 0.78A 4r21A-4nkyA:
49.0		 4r21A-4nkyA:
44.09
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 9 ALA A 113
GLY A 301
ALA A 302
ILE A 371
VAL A 483
 HEM  A 600 ( 2.9A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-2.9A)
HEM  A 600 (-3.8A)
3QZ  A 601 (-4.1A)
 0.97A 4r21B-4nkyA:
49.1		 4r21B-4nkyA:
44.09
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		6 / 9 ALA A 113
ILE A 205
GLY A 301
ALA A 302
THR A 306
ILE A 371
 HEM  A 600 ( 2.9A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
HEM  A 600 (-3.8A)
 0.89A 4r21B-4nkyA:
49.1		 4r21B-4nkyA:
44.09
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)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 9 ILE A 205
GLY A 301
ALA A 302
THR A 306
VAL A 482
 3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
3QZ  A 601 (-4.1A)
 0.86A 4r21B-4nkyA:
49.1		 4r21B-4nkyA:
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.
4S0V_A_SUVA2001_2
(HUMAN OREXIN
RECEPTOR TYPE 2
FUSION PROTEIN TO P.
ABYSII GLYCOGEN
SYNTHASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		4 / 5 ILE A 479
PRO A 480
HIS A 401
VAL A 310
 None
 1.27A 4s0vA-4nkyA:
undetectable		 4s0vA-4nkyA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4W5N_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		4 / 6 LEU A 293
ILE A 292
LEU A 247
GLU A 248
 None
 0.71A 4w5nA-4nkyA:
undetectable		 4w5nA-4nkyA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_P_BEZP801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		4 / 6 PHE A 484
ALA A 367
HIS A 400
LEU A 361
 None
HEM  A 600 ( 3.1A)
None
HEM  A 600 ( 4.2A)
 1.21A 5dzkB-4nkyA:
undetectable
5dzkP-4nkyA:
undetectable		 5dzkB-4nkyA:
17.31
5dzkP-4nkyA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E5J_A_017A201_1
(PROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 ILE A 179
GLY A 444
ILE A 446
ILE A 145
ILE A 182
 None
HEM  A 600 ( 3.7A)
None
None
None
 0.76A 5e5jA-4nkyA:
undetectable		 5e5jA-4nkyA:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E5K_B_017B201_2
(HIV-1 PROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 ILE A 179
GLY A 444
ILE A 446
ILE A 145
ILE A 182
 None
HEM  A 600 ( 3.7A)
None
None
None
 0.71A 5e5kB-4nkyA:
undetectable		 5e5kB-4nkyA:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KQX_A_ROCA101_2
(PROTEASE E35D-SQV)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 9 LEU A 396
VAL A  76
ILE A 381
ILE A  87
ILE A 394
 None
 0.89A 5kqxB-4nkyA:
undetectable		 5kqxB-4nkyA:
13.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KQY_B_017B101_1
(PROTEASE E35D-DRV)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 LEU A 396
VAL A  76
ILE A 381
ILE A  87
ILE A 394
 None
 0.92A 5kqyA-4nkyA:
undetectable		 5kqyA-4nkyA:
13.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X24_A_LSNA502_1
(CYTOCHROME P450 2C9)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 PHE A 114
VAL A 236
ASP A 298
GLY A 301
THR A 306
 3QZ  A 601 ( 4.1A)
None
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.0A)
HEM  A 600 ( 3.2A)
 1.20A 5x24A-4nkyA:
42.6		 5x24A-4nkyA:
32.16
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.
6A7P_A_9SCA601_0
(SERUM ALBUMIN)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 ILE A 112
VAL A  76
LEU A 399
GLY A 444
ARG A 440
 HEM  A 600 (-3.2A)
None
None
HEM  A 600 ( 3.7A)
HEM  A 600 (-4.1A)
 1.18A 6a7pA-4nkyA:
undetectable		 6a7pA-4nkyA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CHG_C_SAMC1101_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-4 SPECIFIC)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 ILE A 205
ASN A 200
SER A 168
ASN A 202
LEU A 485
 3QZ  A 601 ( 3.4A)
None
None
3QZ  A 601 (-3.5A)
None
 1.34A 6chgC-4nkyA:
undetectable		 6chgC-4nkyA:
15.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DIF_B_TPVB201_1
(HIV-1 PROTEASE)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		5 / 12 LEU A 396
VAL A  76
ILE A 381
ILE A  87
ILE A 394
 None
 0.94A 6difB-4nkyA:
undetectable		 6difB-4nkyA:
10.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GBF_A_ACTA507_0
(MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN
CNX1)		 4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens) 		3 / 3 LYS A 374
SER A  94
SER A 117
 None
 0.90A 6gbfA-4nkyA:
undetectable		 6gbfA-4nkyA:
22.06