SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3QZ'


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.
1HXB_A_ROCA100_2
(HIV-1 PROTEASE)		 5vbu CYTOCHROME P450
21-HYDROXYLASE
(Homo
sapiens) 		3 / 3 ARG A 234
THR A 201
VAL A 198
 3QZ  A 502 (-3.8A)
None
3QZ  A 502 (-4.6A)
 1.01A 1hxbA-5vbuA:
undetectable		 1hxbA-5vbuA:
12.23
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
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.
1YAJ_K_BEZK4387_0
(CES1 PROTEIN)		 3qz1 STEROID
21-HYDROXYLASE
(Bos
taurus) 		3 / 3 TRP A 117
LEU A 110
LYS A  99
 HEM  A 500 (-4.4A)
3QZ  A 501 (-4.3A)
None
 1.39A 1yajK-3qz1A:
undetectable		 1yajK-3qz1A:
23.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A15_A_NCAA1001_0
(HYPOTHETICAL PROTEIN
RV0760C)		 5ier OHP9
(synthetic
construct) 		5 / 11 TRP A  24
ILE A  64
LEU A  69
LEU A  89
TYR A 109
 3QZ  A 201 ( 4.5A)
3QZ  A 201 ( 4.4A)
3QZ  A 201 (-4.0A)
3QZ  A 201 ( 4.5A)
None
 0.91A 2a15A-5ierA:
25.3		 2a15A-5ierA:
95.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q64_B_1UNB1001_2
(PROTEASE RETROPEPSIN)		 5vbu CYTOCHROME P450
21-HYDROXYLASE
(Homo
sapiens) 		3 / 3 ARG A 234
THR A 201
VAL A 198
 3QZ  A 502 (-3.8A)
None
3QZ  A 502 (-4.6A)
 0.94A 2q64A-5vbuA:
undetectable		 2q64A-5vbuA:
12.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Z77_D_NCAD200_0
(PUTATIVE STEROID
ISOMERASE)		 5ier OHP9
(synthetic
construct) 		5 / 9 TRP A  13
TRP A  24
LEU A  69
LEU A  89
TYR A 109
 None
3QZ  A 201 ( 4.5A)
3QZ  A 201 (-4.0A)
3QZ  A 201 ( 4.5A)
None
 0.85A 2z77D-5ierA:
26.0		 2z77D-5ierA:
95.45
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.
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
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
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.
4IB4_A_ERMA2001_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 3qz1 STEROID
21-HYDROXYLASE
(Bos
taurus) 		4 / 7 ASP A 286
LEU A 176
GLN A 239
LEU A 240
 3QZ  A 501 ( 4.7A)
None
None
None
 1.12A 4ib4A-3qz1A:
undetectable		 4ib4A-3qz1A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
4L4A_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 5ier OHP9
(synthetic
construct) 		4 / 8 PHE A  59
THR A  16
THR A  43
LEU A  69
 3QZ  A 201 ( 4.5A)
3QZ  A 201 (-2.9A)
3QZ  A 201 (-3.2A)
3QZ  A 201 (-4.0A)
 0.98A 4l4aA-5ierA:
undetectable		 4l4aA-5ierA:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L4E_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 5ier OHP9
(synthetic
construct) 		4 / 8 PHE A  59
THR A  16
THR A  43
LEU A  69
 3QZ  A 201 ( 4.5A)
3QZ  A 201 (-2.9A)
3QZ  A 201 (-3.2A)
3QZ  A 201 (-4.0A)
 0.89A 4l4eA-5ierA:
undetectable		 4l4eA-5ierA:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L4F_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 5ier OHP9
(synthetic
construct) 		4 / 8 PHE A  59
THR A  16
THR A  43
LEU A  69
 3QZ  A 201 ( 4.5A)
3QZ  A 201 (-2.9A)
3QZ  A 201 (-3.2A)
3QZ  A 201 (-4.0A)
 0.91A 4l4fA-5ierA:
undetectable		 4l4fA-5ierA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2X_A_TMQA202_2
(DIHYDROFOLATE
REDUCTASE)		 3qz1 STEROID
21-HYDROXYLASE
(Bos
taurus) 		3 / 3 TRP A 200
GLN A 227
THR A 199
 3QZ  A 501 (-4.1A)
None
None
 0.98A 4m2xA-3qz1A:
undetectable		 4m2xA-3qz1A:
16.55
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
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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Y8W_A_STRA604_1
(CYTOCHROME P450
21-HYDROXYLASE)		 3qz1 STEROID
21-HYDROXYLASE
(Bos
taurus) 		6 / 12 VAL A 101
ASP A 107
SER A 109
ARG A 232
VAL A 358
LEU A 362
 None
None
3QZ  A 501 (-3.8A)
3QZ  A 501 (-3.8A)
HEM  A 500 (-4.3A)
HEM  A 500 (-4.7A)
 0.98A 4y8wA-3qz1A:
52.3		 4y8wA-3qz1A:
75.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Y8W_A_STRA604_1
(CYTOCHROME P450
21-HYDROXYLASE)		 3qz1 STEROID
21-HYDROXYLASE
(Bos
taurus) 		7 / 12 VAL A 101
SER A 109
TRP A 200
ARG A 232
ASP A 286
VAL A 358
LEU A 362
 None
3QZ  A 501 (-3.8A)
3QZ  A 501 (-4.1A)
3QZ  A 501 (-3.8A)
3QZ  A 501 ( 4.7A)
HEM  A 500 (-4.3A)
HEM  A 500 (-4.7A)
 0.78A 4y8wA-3qz1A:
52.3		 4y8wA-3qz1A:
75.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Y8W_A_STRA604_1
(CYTOCHROME P450
21-HYDROXYLASE)		 3qz1 STEROID
21-HYDROXYLASE
(Bos
taurus) 		5 / 12 VAL A 101
SER A 109
TRP A 200
ASP A 286
GLY A 290
 None
3QZ  A 501 (-3.8A)
3QZ  A 501 (-4.1A)
3QZ  A 501 ( 4.7A)
3QZ  A 501 (-3.9A)
 1.06A 4y8wA-3qz1A:
52.3		 4y8wA-3qz1A:
75.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Y8W_A_STRA604_1
(CYTOCHROME P450
21-HYDROXYLASE)		 5vbu CYTOCHROME P450
21-HYDROXYLASE
(Homo
sapiens) 		12 / 12 VAL A 101
ASP A 107
SER A 109
VAL A 198
LEU A 199
TRP A 202
ARG A 234
ASP A 288
ILE A 291
GLY A 292
VAL A 360
LEU A 364
 3QZ  A 502 (-4.5A)
3QZ  A 502 ( 3.8A)
3QZ  A 502 ( 3.5A)
3QZ  A 502 (-4.6A)
3QZ  A 502 ( 4.7A)
3QZ  A 502 ( 3.9A)
3QZ  A 502 (-3.8A)
3QZ  A 502 (-4.0A)
3QZ  A 502 (-4.3A)
3QZ  A 502 ( 3.2A)
HEM  A 501 ( 4.3A)
3QZ  A 502 (-4.1A)
 0.31A 4y8wA-5vbuA:
63.3		 4y8wA-5vbuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Y8W_B_STRB603_1
(CYTOCHROME P450
21-HYDROXYLASE)		 3qz1 STEROID
21-HYDROXYLASE
(Bos
taurus) 		6 / 12 VAL A 101
ASP A 107
SER A 109
ARG A 232
VAL A 358
LEU A 362
 None
None
3QZ  A 501 (-3.8A)
3QZ  A 501 (-3.8A)
HEM  A 500 (-4.3A)
HEM  A 500 (-4.7A)
 0.97A 4y8wB-3qz1A:
52.1		 4y8wB-3qz1A:
75.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Y8W_B_STRB603_1
(CYTOCHROME P450
21-HYDROXYLASE)		 3qz1 STEROID
21-HYDROXYLASE
(Bos
taurus) 		5 / 12 VAL A 101
SER A 109
ASP A 286
GLY A 290
VAL A 469
 None
3QZ  A 501 (-3.8A)
3QZ  A 501 ( 4.7A)
3QZ  A 501 (-3.9A)
None
 1.11A 4y8wB-3qz1A:
52.1		 4y8wB-3qz1A:
75.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Y8W_B_STRB603_1
(CYTOCHROME P450
21-HYDROXYLASE)		 3qz1 STEROID
21-HYDROXYLASE
(Bos
taurus) 		7 / 12 VAL A 101
SER A 109
TRP A 200
ARG A 232
ASP A 286
VAL A 358
LEU A 362
 None
3QZ  A 501 (-3.8A)
3QZ  A 501 (-4.1A)
3QZ  A 501 (-3.8A)
3QZ  A 501 ( 4.7A)
HEM  A 500 (-4.3A)
HEM  A 500 (-4.7A)
 0.72A 4y8wB-3qz1A:
52.1		 4y8wB-3qz1A:
75.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Y8W_B_STRB603_1
(CYTOCHROME P450
21-HYDROXYLASE)		 3qz1 STEROID
21-HYDROXYLASE
(Bos
taurus) 		5 / 12 VAL A 101
SER A 109
TRP A 200
ASP A 286
GLY A 290
 None
3QZ  A 501 (-3.8A)
3QZ  A 501 (-4.1A)
3QZ  A 501 ( 4.7A)
3QZ  A 501 (-3.9A)
 1.03A 4y8wB-3qz1A:
52.1		 4y8wB-3qz1A:
75.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Y8W_B_STRB603_1
(CYTOCHROME P450
21-HYDROXYLASE)		 5vbu CYTOCHROME P450
21-HYDROXYLASE
(Homo
sapiens) 		12 / 12 VAL A 101
ASP A 107
SER A 109
VAL A 198
LEU A 199
TRP A 202
ARG A 234
ASP A 288
ILE A 291
GLY A 292
VAL A 360
LEU A 364
 3QZ  A 502 (-4.5A)
3QZ  A 502 ( 3.8A)
3QZ  A 502 ( 3.5A)
3QZ  A 502 (-4.6A)
3QZ  A 502 ( 4.7A)
3QZ  A 502 ( 3.9A)
3QZ  A 502 (-3.8A)
3QZ  A 502 (-4.0A)
3QZ  A 502 (-4.3A)
3QZ  A 502 ( 3.2A)
HEM  A 501 ( 4.3A)
3QZ  A 502 (-4.1A)
 0.32A 4y8wB-5vbuA:
63.5		 4y8wB-5vbuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Y8W_C_STRC603_1
(CYTOCHROME P450
21-HYDROXYLASE)		 3qz1 STEROID
21-HYDROXYLASE
(Bos
taurus) 		6 / 12 VAL A 101
ASP A 107
SER A 109
ARG A 232
VAL A 358
LEU A 362
 None
None
3QZ  A 501 (-3.8A)
3QZ  A 501 (-3.8A)
HEM  A 500 (-4.3A)
HEM  A 500 (-4.7A)
 0.95A 4y8wC-3qz1A:
52.0		 4y8wC-3qz1A:
75.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Y8W_C_STRC603_1
(CYTOCHROME P450
21-HYDROXYLASE)		 3qz1 STEROID
21-HYDROXYLASE
(Bos
taurus) 		5 / 12 VAL A 101
SER A 109
LEU A 110
GLY A 290
VAL A 469
 None
3QZ  A 501 (-3.8A)
3QZ  A 501 (-4.3A)
3QZ  A 501 (-3.9A)
None
 1.03A 4y8wC-3qz1A:
52.0		 4y8wC-3qz1A:
75.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Y8W_C_STRC603_1
(CYTOCHROME P450
21-HYDROXYLASE)		 3qz1 STEROID
21-HYDROXYLASE
(Bos
taurus) 		8 / 12 VAL A 101
SER A 109
LEU A 110
TRP A 200
ILE A 229
ARG A 232
VAL A 358
LEU A 362
 None
3QZ  A 501 (-3.8A)
3QZ  A 501 (-4.3A)
3QZ  A 501 (-4.1A)
None
3QZ  A 501 (-3.8A)
HEM  A 500 (-4.3A)
HEM  A 500 (-4.7A)
 0.91A 4y8wC-3qz1A:
52.0		 4y8wC-3qz1A:
75.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Y8W_C_STRC603_1
(CYTOCHROME P450
21-HYDROXYLASE)		 3qz1 STEROID
21-HYDROXYLASE
(Bos
taurus) 		6 / 12 VAL A 101
SER A 109
LEU A 110
TRP A 200
ILE A 229
GLY A 290
 None
3QZ  A 501 (-3.8A)
3QZ  A 501 (-4.3A)
3QZ  A 501 (-4.1A)
None
3QZ  A 501 (-3.9A)
 1.18A 4y8wC-3qz1A:
52.0		 4y8wC-3qz1A:
75.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Y8W_C_STRC603_1
(CYTOCHROME P450
21-HYDROXYLASE)		 5vbu CYTOCHROME P450
21-HYDROXYLASE
(Homo
sapiens) 		12 / 12 VAL A 101
ASP A 107
SER A 109
LEU A 110
VAL A 198
TRP A 202
ILE A 231
ARG A 234
ILE A 291
GLY A 292
VAL A 360
LEU A 364
 3QZ  A 502 (-4.5A)
3QZ  A 502 ( 3.8A)
3QZ  A 502 ( 3.5A)
3QZ  A 502 ( 4.8A)
3QZ  A 502 (-4.6A)
3QZ  A 502 ( 3.9A)
3QZ  A 502 (-4.8A)
3QZ  A 502 (-3.8A)
3QZ  A 502 (-4.3A)
3QZ  A 502 ( 3.2A)
HEM  A 501 ( 4.3A)
3QZ  A 502 (-4.1A)
 0.20A 4y8wC-5vbuA:
64.5		 4y8wC-5vbuA:
100.00
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.
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