SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'BHF'


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)		 2hi4 CYTOCHROME P450 1A2
(Homo
sapiens) 		5 / 9 PHE A 125
GLY A 316
ALA A 317
THR A 321
LEU A 382
 None
BHF  A 800 (-3.8A)
HEM  A 900 ( 3.5A)
HEM  A 900 ( 3.1A)
HEM  A 900 (-4.0A)
 0.70A 1nr6A-2hi4A:
42.6		 1nr6A-2hi4A:
31.71
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)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		5 / 9 ALA A 133
PHE A 134
GLY A 329
ALA A 330
THR A 334
 HEM  A 900 (-3.3A)
BHF  A 800 (-4.8A)
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
 0.80A 1nr6A-3pm0A:
41.5		 1nr6A-3pm0A:
35.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2B82_A_ADNA1001_1
(CLASS B ACID
PHOSPHATASE)		 2hi4 CYTOCHROME P450 1A2
(Homo
sapiens) 		5 / 10 PHE A 125
LEU A 497
GLY A 316
ASP A 320
THR A 113
 None
BHF  A 800 (-4.4A)
BHF  A 800 (-3.8A)
BHF  A 800 (-4.0A)
None
 1.48A 2b82A-2hi4A:
undetectable		 2b82A-2hi4A:
18.54
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.
2B82_A_ADNA1001_1
(CLASS B ACID
PHOSPHATASE)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 10 PHE A 123
LEU A 496
GLY A 316
ASP A 320
THR A 111
 None
None
BHF  A 602 (-3.5A)
BHF  A 602 (-3.7A)
None
 1.43A 2b82A-4i8vA:
undetectable		 2b82A-4i8vA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W98_B_P1ZB1357_1
(PROSTAGLANDIN
REDUCTASE 2)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		4 / 6 TYR A 189
LEU A 215
ASN A 219
ASP A 320
 None
None
None
BHF  A 602 (-3.7A)
 1.26A 2w98A-4i8vA:
undetectable
2w98B-4i8vA:
undetectable		 2w98A-4i8vA:
21.38
2w98B-4i8vA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZBU_D_ADND504_1
(UNCHARACTERIZED
CONSERVED PROTEIN)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		3 / 3 PHE A 224
ASN A 222
PHE A 319
 BHF  A 602 (-3.3A)
BHF  A 602 ( 3.8A)
BHF  A 602 ( 4.7A)
 0.94A 2zbuD-4i8vA:
undetectable		 2zbuD-4i8vA:
19.67
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)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		3 / 3 ALA A 317
THR A 321
CYH A 457
 BHF  A 602 ( 3.4A)
HEM  A 601 (-3.4A)
HEM  A 601 (-2.1A)
 0.40A 3e4eA-4i8vA:
44.9		 3e4eA-4i8vA:
35.13
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)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		3 / 3 ALA A 317
THR A 321
CYH A 457
 BHF  A 602 ( 3.4A)
HEM  A 601 (-3.4A)
HEM  A 601 (-2.1A)
 0.34A 3e4eB-4i8vA:
44.8		 3e4eB-4i8vA:
35.13
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.
3KO0_E_TFPE201_1
(PROTEIN S100-A4)		 2hi4 CYTOCHROME P450 1A2
(Homo
sapiens) 		4 / 7 PHE A 319
GLY A 316
PHE A 315
PHE A 209
 None
BHF  A 800 (-3.8A)
None
None
 0.99A 3ko0D-2hi4A:
undetectable
3ko0E-2hi4A:
undetectable		 3ko0D-2hi4A:
12.50
3ko0E-2hi4A:
12.50
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.
3KO0_O_TFPO201_1
(PROTEIN S100-A4)		 2hi4 CYTOCHROME P450 1A2
(Homo
sapiens) 		4 / 8 PHE A 209
PHE A 319
GLY A 316
PHE A 315
 None
None
BHF  A 800 (-3.8A)
None
 1.00A 3ko0O-2hi4A:
undetectable
3ko0Q-2hi4A:
undetectable		 3ko0O-2hi4A:
12.50
3ko0Q-2hi4A:
12.50
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.
3LN1_A_CELA682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2hi4 CYTOCHROME P450 1A2
(Homo
sapiens) 		4 / 8 LEU A 497
SER A 231
LEU A 450
ILE A 386
 BHF  A 800 (-4.4A)
None
HEM  A 900 (-4.0A)
HEM  A 900 (-4.0A)
 0.69A 3ln1A-2hi4A:
0.0		 3ln1A-2hi4A:
22.40
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.
3LN1_B_CELB682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2hi4 CYTOCHROME P450 1A2
(Homo
sapiens) 		4 / 7 LEU A 497
SER A 231
LEU A 450
ILE A 386
 BHF  A 800 (-4.4A)
None
HEM  A 900 (-4.0A)
HEM  A 900 (-4.0A)
 0.67A 3ln1B-2hi4A:
0.0		 3ln1B-2hi4A:
22.40
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)		 2hi4 CYTOCHROME P450 1A2
(Homo
sapiens) 		5 / 12 PHE A 125
ASP A 313
ALA A 317
THR A 321
CYH A 458
 None
BHF  A 800 (-3.9A)
HEM  A 900 ( 3.5A)
HEM  A 900 ( 3.1A)
HEM  A 900 (-2.3A)
 0.75A 3rukA-2hi4A:
41.7		 3rukA-2hi4A:
32.31
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.
3RUK_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		6 / 12 ALA A 133
ASP A 326
ALA A 330
THR A 334
VAL A 395
CYH A 470
 HEM  A 900 (-3.3A)
BHF  A 800 (-3.4A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
HEM  A 900 (-4.6A)
HEM  A 900 (-2.3A)
 0.75A 3rukA-3pm0A:
41.4		 3rukA-3pm0A:
29.69
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)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		5 / 12 ALA A 133
PHE A 134
ASN A 228
ALA A 330
CYH A 470
 HEM  A 900 (-3.3A)
BHF  A 800 (-4.8A)
BHF  A 800 (-4.2A)
HEM  A 900 ( 3.4A)
HEM  A 900 (-2.3A)
 0.92A 3rukA-3pm0A:
41.4		 3rukA-3pm0A:
29.69
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)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		6 / 12 ALA A 133
PHE A 134
ASP A 326
ALA A 330
THR A 334
CYH A 470
 HEM  A 900 (-3.3A)
BHF  A 800 (-4.8A)
BHF  A 800 (-3.4A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
HEM  A 900 (-2.3A)
 0.54A 3rukA-3pm0A:
41.4		 3rukA-3pm0A:
29.69
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)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 12 ASP A 313
ALA A 317
THR A 321
VAL A 382
CYH A 457
 BHF  A 602 (-3.7A)
BHF  A 602 ( 3.4A)
HEM  A 601 (-3.4A)
HEM  A 601 (-4.9A)
HEM  A 601 (-2.1A)
 0.77A 3rukA-4i8vA:
42.5		 3rukA-4i8vA:
33.85
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)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 12 PHE A 123
ASP A 313
ALA A 317
THR A 321
CYH A 457
 None
BHF  A 602 (-3.7A)
BHF  A 602 ( 3.4A)
HEM  A 601 (-3.4A)
HEM  A 601 (-2.1A)
 0.63A 3rukA-4i8vA:
42.5		 3rukA-4i8vA:
33.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RUK_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		6 / 12 ALA A 133
PHE A 134
ASP A 326
GLY A 329
ALA A 330
THR A 334
 HEM  A 900 (-3.3A)
BHF  A 800 (-4.8A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
 0.52A 3rukB-3pm0A:
41.4		 3rukB-3pm0A:
29.69
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)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 12 PHE A 123
ASP A 313
GLY A 316
ALA A 317
THR A 321
 None
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 3.4A)
HEM  A 601 (-3.4A)
 0.60A 3rukB-4i8vA:
42.6		 3rukB-4i8vA:
33.85
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)		 2hi4 CYTOCHROME P450 1A2
(Homo
sapiens) 		5 / 11 PHE A 125
ASP A 313
GLY A 316
ALA A 317
THR A 321
 None
BHF  A 800 (-3.9A)
BHF  A 800 (-3.8A)
HEM  A 900 ( 3.5A)
HEM  A 900 ( 3.1A)
 0.72A 3rukD-2hi4A:
40.9		 3rukD-2hi4A:
32.31
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.
3RUK_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		6 / 11 ALA A 133
ASP A 326
GLY A 329
ALA A 330
THR A 334
VAL A 395
 HEM  A 900 (-3.3A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
HEM  A 900 (-4.6A)
 0.69A 3rukD-3pm0A:
41.1		 3rukD-3pm0A:
29.69
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)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		6 / 11 ALA A 133
PHE A 134
ASP A 326
GLY A 329
ALA A 330
THR A 334
 HEM  A 900 (-3.3A)
BHF  A 800 (-4.8A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
 0.56A 3rukD-3pm0A:
41.1		 3rukD-3pm0A:
29.69
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)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 11 ASP A 313
GLY A 316
ALA A 317
THR A 321
VAL A 382
 BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 3.4A)
HEM  A 601 (-3.4A)
HEM  A 601 (-4.9A)
 0.73A 3rukD-4i8vA:
42.1		 3rukD-4i8vA:
33.85
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)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 11 PHE A 123
ASP A 313
GLY A 316
ALA A 317
THR A 321
 None
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 3.4A)
HEM  A 601 (-3.4A)
 0.66A 3rukD-4i8vA:
42.1		 3rukD-4i8vA:
33.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SI7_A_ACTA4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		4 / 4 LEU A 509
GLY A 508
GLY A 236
THR A 234
 BHF  A 800 (-4.7A)
None
None
None
 0.89A 3si7A-3pm0A:
undetectable		 3si7A-3pm0A:
20.44
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)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		4 / 8 ALA A 133
PHE A 134
ALA A 330
THR A 334
 HEM  A 900 (-3.3A)
BHF  A 800 (-4.8A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
 0.58A 3t3sD-3pm0A:
40.6		 3t3sD-3pm0A:
33.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EJJ_A_NCTA501_1
(CYTOCHROME P450 2A6)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		4 / 7 ASN A 228
GLY A 232
ILE A 399
PHE A 134
 BHF  A 800 (-4.2A)
None
HEM  A 900 (-4.0A)
BHF  A 800 (-4.8A)
 0.79A 4ejjA-3pm0A:
41.3		 4ejjA-3pm0A:
32.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		5 / 12 PHE A 268
PHE A 134
VAL A 235
ALA A 330
THR A 334
 BHF  A 800 ( 3.8A)
BHF  A 800 (-4.8A)
None
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
 1.28A 4fiaA-3pm0A:
34.3		 4fiaA-3pm0A:
25.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FIA_A_198A602_1
(CHOLESTEROL
24-HYDROXYLASE)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		5 / 12 PHE A 268
PHE A 134
VAL A 235
ALA A 330
THR A 334
 BHF  A 800 ( 3.8A)
BHF  A 800 (-4.8A)
None
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
 1.28A 4fiaA-3pm0A:
34.3		 4fiaA-3pm0A:
25.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKV_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		5 / 12 ALA A 133
PHE A 134
GLY A 329
ALA A 330
THR A 334
 HEM  A 900 (-3.3A)
BHF  A 800 (-4.8A)
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
 0.48A 4nkvA-3pm0A:
41.2		 4nkvA-3pm0A:
29.69
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)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		5 / 12 ALA A 133
PHE A 134
GLY A 329
ALA A 330
THR A 334
 HEM  A 900 (-3.3A)
BHF  A 800 (-4.8A)
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
 0.47A 4nkvB-3pm0A:
41.0		 4nkvB-3pm0A:
29.69
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)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		5 / 12 ALA A 133
PHE A 134
GLY A 329
ALA A 330
THR A 334
 HEM  A 900 (-3.3A)
BHF  A 800 (-4.8A)
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
 0.50A 4nkvC-3pm0A:
41.3		 4nkvC-3pm0A:
29.69
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)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		5 / 12 ALA A 133
PHE A 134
GLY A 329
ALA A 330
THR A 334
 HEM  A 900 (-3.3A)
BHF  A 800 (-4.8A)
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
 0.51A 4nkvD-3pm0A:
41.5		 4nkvD-3pm0A:
29.69
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)		 2hi4 CYTOCHROME P450 1A2
(Homo
sapiens) 		5 / 12 PHE A 125
GLY A 316
ALA A 317
THR A 321
ILE A 386
 None
BHF  A 800 (-3.8A)
HEM  A 900 ( 3.5A)
HEM  A 900 ( 3.1A)
HEM  A 900 (-4.0A)
 0.42A 4nkxA-2hi4A:
41.4		 4nkxA-2hi4A:
32.31
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.
4NKX_A_STRA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		6 / 12 ALA A 133
PHE A 134
GLY A 329
ALA A 330
THR A 334
ILE A 399
 HEM  A 900 (-3.3A)
BHF  A 800 (-4.8A)
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
HEM  A 900 (-4.0A)
 0.45A 4nkxA-3pm0A:
41.0		 4nkxA-3pm0A:
29.69
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)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 12 PHE A 123
ASN A 222
ALA A 317
THR A 321
ILE A 386
 None
BHF  A 602 ( 3.8A)
BHF  A 602 ( 3.4A)
HEM  A 601 (-3.4A)
HEM  A 601 (-3.6A)
 1.00A 4nkxA-4i8vA:
42.2		 4nkxA-4i8vA:
33.85
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)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 12 PHE A 123
GLY A 316
ALA A 317
THR A 321
ILE A 386
 None
BHF  A 602 (-3.5A)
BHF  A 602 ( 3.4A)
HEM  A 601 (-3.4A)
HEM  A 601 (-3.6A)
 0.43A 4nkxA-4i8vA:
42.2		 4nkxA-4i8vA:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKX_B_STRB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 2hi4 CYTOCHROME P450 1A2
(Homo
sapiens) 		5 / 12 PHE A 125
GLY A 316
ALA A 317
THR A 321
ILE A 386
 None
BHF  A 800 (-3.8A)
HEM  A 900 ( 3.5A)
HEM  A 900 ( 3.1A)
HEM  A 900 (-4.0A)
 0.43A 4nkxB-2hi4A:
41.4		 4nkxB-2hi4A:
32.31
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)		 2hi4 CYTOCHROME P450 1A2
(Homo
sapiens) 		5 / 12 PHE A 125
GLY A 316
ALA A 317
THR A 321
ILE A 386
 None
BHF  A 800 (-3.8A)
HEM  A 900 ( 3.5A)
HEM  A 900 ( 3.1A)
HEM  A 900 (-4.0A)
 0.51A 4nkxC-2hi4A:
41.1		 4nkxC-2hi4A:
32.31
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.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		6 / 12 ALA A 133
PHE A 134
GLY A 329
ALA A 330
THR A 334
ILE A 399
 HEM  A 900 (-3.3A)
BHF  A 800 (-4.8A)
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
HEM  A 900 (-4.0A)
 0.51A 4nkxC-3pm0A:
41.5		 4nkxC-3pm0A:
29.69
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)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 12 PHE A 123
GLY A 316
ALA A 317
THR A 321
ILE A 386
 None
BHF  A 602 (-3.5A)
BHF  A 602 ( 3.4A)
HEM  A 601 (-3.4A)
HEM  A 601 (-3.6A)
 0.50A 4nkxC-4i8vA:
42.4		 4nkxC-4i8vA:
33.85
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)		 2hi4 CYTOCHROME P450 1A2
(Homo
sapiens) 		5 / 12 PHE A 125
GLY A 316
ALA A 317
THR A 321
ILE A 386
 None
BHF  A 800 (-3.8A)
HEM  A 900 ( 3.5A)
HEM  A 900 ( 3.1A)
HEM  A 900 (-4.0A)
 0.45A 4nkxD-2hi4A:
41.2		 4nkxD-2hi4A:
32.31
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.
4NKX_D_STRD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		6 / 12 ALA A 133
PHE A 134
GLY A 329
ALA A 330
THR A 334
ILE A 399
 HEM  A 900 (-3.3A)
BHF  A 800 (-4.8A)
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
HEM  A 900 (-4.0A)
 0.47A 4nkxD-3pm0A:
41.5		 4nkxD-3pm0A:
29.69
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)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 12 PHE A 123
GLY A 316
ALA A 317
THR A 321
ILE A 386
 None
BHF  A 602 (-3.5A)
BHF  A 602 ( 3.4A)
HEM  A 601 (-3.4A)
HEM  A 601 (-3.6A)
 0.47A 4nkxD-4i8vA:
42.6		 4nkxD-4i8vA:
33.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PB1_A_RBVA501_1
(NUPC FAMILY PROTEIN)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 12 GLY A 316
ALA A 317
LEU A 496
SER A 120
ILE A 115
 BHF  A 602 (-3.5A)
BHF  A 602 ( 3.4A)
None
BHF  A 602 ( 4.5A)
BHF  A 602 (-4.7A)
 1.11A 4pb1A-4i8vA:
1.5		 4pb1A-4i8vA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD9_A_ADNA501_1
(NUPC FAMILY PROTEIN)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 12 GLY A 316
ALA A 317
LEU A 496
SER A 120
ILE A 115
 BHF  A 602 (-3.5A)
BHF  A 602 ( 3.4A)
None
BHF  A 602 ( 4.5A)
BHF  A 602 (-4.7A)
 1.10A 4pd9A-4i8vA:
0.7		 4pd9A-4i8vA:
22.82
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)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		5 / 9 ALA A 133
ASP A 326
GLY A 329
ALA A 330
THR A 334
 HEM  A 900 (-3.3A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
 0.40A 4r1zA-3pm0A:
41.5		 4r1zA-3pm0A:
31.71
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)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		4 / 7 ALA A 133
GLY A 329
ALA A 330
THR A 334
 HEM  A 900 (-3.3A)
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
 0.32A 4r1zB-3pm0A:
41.0		 4r1zB-3pm0A:
31.71
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)		 2hi4 CYTOCHROME P450 1A2
(Homo
sapiens) 		5 / 9 GLY A 316
ALA A 317
THR A 321
ILE A 386
VAL A 227
 BHF  A 800 (-3.8A)
HEM  A 900 ( 3.5A)
HEM  A 900 ( 3.1A)
HEM  A 900 (-4.0A)
None
 1.01A 4r21B-2hi4A:
40.9		 4r21B-2hi4A:
33.60
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)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		5 / 9 ALA A 133
GLY A 329
ALA A 330
THR A 334
ILE A 399
 HEM  A 900 (-3.3A)
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
HEM  A 900 (-4.0A)
 0.50A 4r21B-3pm0A:
41.6		 4r21B-3pm0A:
34.90
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.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		4 / 5 ILE A 115
PHE A 384
SER A 124
ASP A 235
 BHF  A 602 (-4.7A)
None
None
None
 1.26A 4rzvB-4i8vA:
undetectable		 4rzvB-4i8vA:
20.77
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.
5VCE_A_RITA602_1
(CYTOCHROME P450 3A4)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 12 PHE A 123
SER A 116
ILE A 115
PHE A 224
ALA A 138
 None
BHF  A 602 (-3.2A)
BHF  A 602 (-4.7A)
BHF  A 602 (-3.3A)
None
 1.13A 5vceA-4i8vA:
31.3		 5vceA-4i8vA:
26.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XXI_A_LSNA503_1
(CYTOCHROME P450 2C9)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		5 / 12 ILE A  94
PHE A 120
PHE A 134
PRO A 396
PRO A 400
 None
None
BHF  A 800 (-4.8A)
None
None
 1.15A 5xxiA-3pm0A:
38.4		 5xxiA-3pm0A:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		 2hi4 CYTOCHROME P450 1A2
(Homo
sapiens) 		6 / 12 PHE A 226
ASN A 257
ASP A 313
GLY A 316
ASP A 320
ILE A 386
 BHF  A 800 (-3.6A)
None
BHF  A 800 (-3.9A)
BHF  A 800 (-3.8A)
BHF  A 800 (-4.0A)
HEM  A 900 (-4.0A)
 0.55A 6dwnA-2hi4A:
55.4		 6dwnA-2hi4A:
81.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		5 / 12 ASN A 228
PHE A 231
PHE A 268
ASP A 326
GLY A 329
 BHF  A 800 (-4.2A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 3.8A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 4.0A)
 1.19A 6dwnA-3pm0A:
48.0		 6dwnA-3pm0A:
58.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		7 / 12 PHE A 231
ASN A 265
PHE A 268
ASP A 326
GLY A 329
ASP A 333
ILE A 399
 BHF  A 800 (-3.4A)
None
BHF  A 800 ( 3.8A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 4.0A)
BHF  A 800 ( 4.1A)
HEM  A 900 (-4.0A)
 0.62A 6dwnA-3pm0A:
48.0		 6dwnA-3pm0A:
58.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 12 ASN A 222
ASN A 223
LEU A 254
PHE A 258
PHE A 319
 BHF  A 602 ( 3.8A)
None
None
BHF  A 602 ( 3.9A)
BHF  A 602 ( 4.7A)
 1.17A 6dwnA-4i8vA:
62.1		 6dwnA-4i8vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 12 ASN A 223
LEU A 254
ASN A 255
PHE A 258
PHE A 319
 None
None
None
BHF  A 602 ( 3.9A)
BHF  A 602 ( 4.7A)
 1.01A 6dwnA-4i8vA:
62.1		 6dwnA-4i8vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		6 / 12 SER A 120
ASN A 222
PHE A 224
ASP A 313
GLY A 316
PHE A 319
 BHF  A 602 ( 4.5A)
BHF  A 602 ( 3.8A)
BHF  A 602 (-3.3A)
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 4.7A)
 1.49A 6dwnA-4i8vA:
62.1		 6dwnA-4i8vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		6 / 12 SER A 120
PHE A 224
ASP A 313
GLY A 316
PHE A 319
ASP A 320
 BHF  A 602 ( 4.5A)
BHF  A 602 (-3.3A)
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 4.7A)
BHF  A 602 (-3.7A)
 1.48A 6dwnA-4i8vA:
62.1		 6dwnA-4i8vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		9 / 12 SER A 122
ASN A 222
ASN A 223
PHE A 224
PHE A 258
ASP A 313
GLY A 316
PHE A 319
ILE A 386
 HEM  A 601 (-3.4A)
BHF  A 602 ( 3.8A)
None
BHF  A 602 (-3.3A)
BHF  A 602 ( 3.9A)
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 4.7A)
HEM  A 601 (-3.6A)
 0.69A 6dwnA-4i8vA:
62.1		 6dwnA-4i8vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		10 / 12 SER A 122
ASN A 223
PHE A 224
ASN A 255
PHE A 258
ASP A 313
GLY A 316
PHE A 319
ASP A 320
ILE A 386
 HEM  A 601 (-3.4A)
None
BHF  A 602 (-3.3A)
None
BHF  A 602 ( 3.9A)
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 4.7A)
BHF  A 602 (-3.7A)
HEM  A 601 (-3.6A)
 0.48A 6dwnA-4i8vA:
62.1		 6dwnA-4i8vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		 2hi4 CYTOCHROME P450 1A2
(Homo
sapiens) 		4 / 5 ILE A 117
ALA A 317
LEU A 497
LYS A 500
 None
HEM  A 900 ( 3.5A)
BHF  A 800 (-4.4A)
None
 0.42A 6dwnA-2hi4A:
55.4		 6dwnA-2hi4A:
81.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		4 / 5 SER A 127
ALA A 330
LEU A 509
LYS A 512
 BHF  A 800 ( 4.6A)
HEM  A 900 ( 3.4A)
BHF  A 800 (-4.7A)
None
 0.77A 6dwnA-3pm0A:
48.0		 6dwnA-3pm0A:
58.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 5 ILE A 115
SER A 116
ALA A 317
LEU A 496
LYS A 499
 BHF  A 602 (-4.7A)
BHF  A 602 (-3.2A)
BHF  A 602 ( 3.4A)
None
None
 0.43A 6dwnA-4i8vA:
62.1		 6dwnA-4i8vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		 2hi4 CYTOCHROME P450 1A2
(Homo
sapiens) 		7 / 12 ILE A 117
PHE A 226
ASN A 257
ASP A 313
ASP A 320
ILE A 386
LYS A 500
 None
BHF  A 800 (-3.6A)
None
BHF  A 800 (-3.9A)
BHF  A 800 (-4.0A)
HEM  A 900 (-4.0A)
None
 0.65A 6dwnB-2hi4A:
55.8		 6dwnB-2hi4A:
81.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		 2hi4 CYTOCHROME P450 1A2
(Homo
sapiens) 		6 / 12 ILE A 117
PHE A 226
ASN A 257
PHE A 260
ASP A 320
LYS A 500
 None
BHF  A 800 (-3.6A)
None
BHF  A 800 (-3.6A)
BHF  A 800 (-4.0A)
None
 0.92A 6dwnB-2hi4A:
55.8		 6dwnB-2hi4A:
81.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		 2hi4 CYTOCHROME P450 1A2
(Homo
sapiens) 		5 / 12 PHE A 226
LEU A 219
ASP A 313
ILE A 386
LYS A 500
 BHF  A 800 (-3.6A)
None
BHF  A 800 (-3.9A)
HEM  A 900 (-4.0A)
None
 1.44A 6dwnB-2hi4A:
55.8		 6dwnB-2hi4A:
81.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		7 / 12 PHE A 231
ASN A 265
PHE A 268
ASP A 326
ASP A 333
ILE A 399
LYS A 512
 BHF  A 800 (-3.4A)
None
BHF  A 800 ( 3.8A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 4.1A)
HEM  A 900 (-4.0A)
None
 0.81A 6dwnB-3pm0A:
48.1		 6dwnB-3pm0A:
58.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		5 / 12 SER A 131
LEU A 224
ASP A 326
ASP A 333
LYS A 512
 BHF  A 800 ( 4.7A)
None
BHF  A 800 (-3.4A)
BHF  A 800 ( 4.1A)
None
 1.43A 6dwnB-3pm0A:
48.1		 6dwnB-3pm0A:
58.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 12 ILE A 115
ASN A 223
PHE A 224
ASN A 255
ILE A 386
 BHF  A 602 (-4.7A)
None
BHF  A 602 (-3.3A)
None
HEM  A 601 (-3.6A)
 1.34A 6dwnB-4i8vA:
61.1		 6dwnB-4i8vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		8 / 12 ILE A 115
SER A 122
ASN A 222
LEU A 254
ASN A 255
PHE A 258
ASP A 313
PHE A 319
 BHF  A 602 (-4.7A)
HEM  A 601 (-3.4A)
BHF  A 602 ( 3.8A)
None
None
BHF  A 602 ( 3.9A)
BHF  A 602 (-3.7A)
BHF  A 602 ( 4.7A)
 0.90A 6dwnB-4i8vA:
61.1		 6dwnB-4i8vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		9 / 12 ILE A 115
SER A 122
ASN A 222
PHE A 224
ASN A 255
PHE A 258
ASP A 313
PHE A 319
ILE A 386
 BHF  A 602 (-4.7A)
HEM  A 601 (-3.4A)
BHF  A 602 ( 3.8A)
BHF  A 602 (-3.3A)
None
BHF  A 602 ( 3.9A)
BHF  A 602 (-3.7A)
BHF  A 602 ( 4.7A)
HEM  A 601 (-3.6A)
 0.75A 6dwnB-4i8vA:
61.1		 6dwnB-4i8vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		9 / 12 ILE A 115
SER A 122
PHE A 224
ASN A 255
ASP A 313
PHE A 319
ASP A 320
ILE A 386
LYS A 499
 BHF  A 602 (-4.7A)
HEM  A 601 (-3.4A)
BHF  A 602 (-3.3A)
None
BHF  A 602 (-3.7A)
BHF  A 602 ( 4.7A)
BHF  A 602 (-3.7A)
HEM  A 601 (-3.6A)
None
 0.44A 6dwnB-4i8vA:
61.1		 6dwnB-4i8vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		9 / 12 ILE A 115
SER A 122
PHE A 224
ASN A 255
PHE A 258
ASP A 313
PHE A 319
ASP A 320
ILE A 386
 BHF  A 602 (-4.7A)
HEM  A 601 (-3.4A)
BHF  A 602 (-3.3A)
None
BHF  A 602 ( 3.9A)
BHF  A 602 (-3.7A)
BHF  A 602 ( 4.7A)
BHF  A 602 (-3.7A)
HEM  A 601 (-3.6A)
 0.57A 6dwnB-4i8vA:
61.1		 6dwnB-4i8vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 12 SER A 122
LEU A 217
ASP A 313
ASP A 320
LYS A 499
 HEM  A 601 (-3.4A)
None
BHF  A 602 (-3.7A)
BHF  A 602 (-3.7A)
None
 1.35A 6dwnB-4i8vA:
61.1		 6dwnB-4i8vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 12 SER A 122
PHE A 315
ASP A 313
ASP A 320
LYS A 499
 HEM  A 601 (-3.4A)
None
BHF  A 602 (-3.7A)
BHF  A 602 (-3.7A)
None
 1.44A 6dwnB-4i8vA:
61.1		 6dwnB-4i8vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		 2hi4 CYTOCHROME P450 1A2
(Homo
sapiens) 		4 / 7 PHE A 253
GLY A 316
ALA A 317
LEU A 497
 None
BHF  A 800 (-3.8A)
HEM  A 900 ( 3.5A)
BHF  A 800 (-4.4A)
 0.35A 6dwnB-2hi4A:
55.8		 6dwnB-2hi4A:
81.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		6 / 7 SER A 127
PHE A 261
GLY A 329
ALA A 330
VAL A 395
LEU A 509
 BHF  A 800 ( 4.6A)
None
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
HEM  A 900 (-4.6A)
BHF  A 800 (-4.7A)
 0.55A 6dwnB-3pm0A:
48.1		 6dwnB-3pm0A:
58.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		7 / 7 SER A 116
ASN A 223
PHE A 251
GLY A 316
ALA A 317
VAL A 382
LEU A 496
 BHF  A 602 (-3.2A)
None
None
BHF  A 602 (-3.5A)
BHF  A 602 ( 3.4A)
HEM  A 601 (-4.9A)
None
 0.38A 6dwnB-4i8vA:
61.1		 6dwnB-4i8vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		 2hi4 CYTOCHROME P450 1A2
(Homo
sapiens) 		7 / 12 ILE A 117
PHE A 226
ASN A 257
ASP A 313
GLY A 316
ILE A 386
LEU A 497
 None
BHF  A 800 (-3.6A)
None
BHF  A 800 (-3.9A)
BHF  A 800 (-3.8A)
HEM  A 900 (-4.0A)
BHF  A 800 (-4.4A)
 0.64A 6dwnC-2hi4A:
55.3		 6dwnC-2hi4A:
81.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		 2hi4 CYTOCHROME P450 1A2
(Homo
sapiens) 		5 / 12 ILE A 117
PHE A 226
ASN A 257
PHE A 260
LEU A 497
 None
BHF  A 800 (-3.6A)
None
BHF  A 800 (-3.6A)
BHF  A 800 (-4.4A)
 0.89A 6dwnC-2hi4A:
55.3		 6dwnC-2hi4A:
81.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		6 / 12 ASN A 228
PHE A 231
PHE A 268
ASP A 326
GLY A 329
LEU A 509
 BHF  A 800 (-4.2A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 3.8A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 4.0A)
BHF  A 800 (-4.7A)
 1.11A 6dwnC-3pm0A:
48.2		 6dwnC-3pm0A:
58.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		7 / 12 PHE A 231
ASN A 265
PHE A 268
ASP A 326
GLY A 329
ILE A 399
LEU A 509
 BHF  A 800 (-3.4A)
None
BHF  A 800 ( 3.8A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 4.0A)
HEM  A 900 (-4.0A)
BHF  A 800 (-4.7A)
 0.65A 6dwnC-3pm0A:
48.2		 6dwnC-3pm0A:
58.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		7 / 12 ASN A 222
LEU A 254
ASN A 255
PHE A 258
ASP A 313
GLY A 316
PHE A 319
 BHF  A 602 ( 3.8A)
None
None
BHF  A 602 ( 3.9A)
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 4.7A)
 0.95A 6dwnC-4i8vA:
60.5		 6dwnC-4i8vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		6 / 12 ILE A 115
ASN A 223
PHE A 224
ASN A 255
ILE A 386
LEU A 496
 BHF  A 602 (-4.7A)
None
BHF  A 602 (-3.3A)
None
HEM  A 601 (-3.6A)
None
 1.44A 6dwnC-4i8vA:
60.5		 6dwnC-4i8vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		11 / 12 ILE A 115
SER A 122
ASN A 222
PHE A 224
ASN A 255
PHE A 258
ASP A 313
GLY A 316
PHE A 319
ILE A 386
LEU A 496
 BHF  A 602 (-4.7A)
HEM  A 601 (-3.4A)
BHF  A 602 ( 3.8A)
BHF  A 602 (-3.3A)
None
BHF  A 602 ( 3.9A)
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 4.7A)
HEM  A 601 (-3.6A)
None
 0.63A 6dwnC-4i8vA:
60.5		 6dwnC-4i8vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		6 / 12 SER A 120
ASN A 222
PHE A 224
ASP A 313
GLY A 316
PHE A 319
 BHF  A 602 ( 4.5A)
BHF  A 602 ( 3.8A)
BHF  A 602 (-3.3A)
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 4.7A)
 1.44A 6dwnC-4i8vA:
60.5		 6dwnC-4i8vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		3 / 3 SER A 127
SER A 131
ALA A 330
 BHF  A 800 ( 4.6A)
BHF  A 800 ( 4.7A)
HEM  A 900 ( 3.4A)
 0.62A 6dwnC-3pm0A:
48.2		 6dwnC-3pm0A:
58.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		3 / 3 SER A 116
SER A 120
ALA A 317
 BHF  A 602 (-3.2A)
BHF  A 602 ( 4.5A)
BHF  A 602 ( 3.4A)
 0.30A 6dwnC-4i8vA:
60.5		 6dwnC-4i8vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		 2hi4 CYTOCHROME P450 1A2
(Homo
sapiens) 		8 / 12 ILE A 117
PHE A 226
ASP A 313
GLY A 316
ALA A 317
ASP A 320
ILE A 386
LEU A 497
 None
BHF  A 800 (-3.6A)
BHF  A 800 (-3.9A)
BHF  A 800 (-3.8A)
HEM  A 900 ( 3.5A)
BHF  A 800 (-4.0A)
HEM  A 900 (-4.0A)
BHF  A 800 (-4.4A)
 0.48A 6dwnD-2hi4A:
55.0		 6dwnD-2hi4A:
81.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		 2hi4 CYTOCHROME P450 1A2
(Homo
sapiens) 		5 / 12 ILE A 117
PHE A 226
PHE A 260
ASP A 320
LEU A 497
 None
BHF  A 800 (-3.6A)
BHF  A 800 (-3.6A)
BHF  A 800 (-4.0A)
BHF  A 800 (-4.4A)
 1.01A 6dwnD-2hi4A:
55.0		 6dwnD-2hi4A:
81.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		6 / 12 ASN A 228
PHE A 231
PHE A 268
ASP A 326
GLY A 329
LEU A 509
 BHF  A 800 (-4.2A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 3.8A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 4.0A)
BHF  A 800 (-4.7A)
 1.26A 6dwnD-3pm0A:
46.9		 6dwnD-3pm0A:
58.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		 3pm0 CYTOCHROME P450 1B1
(Homo
sapiens) 		8 / 12 PHE A 231
PHE A 268
ASP A 326
GLY A 329
ALA A 330
ASP A 333
ILE A 399
LEU A 509
 BHF  A 800 (-3.4A)
BHF  A 800 ( 3.8A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
BHF  A 800 ( 4.1A)
HEM  A 900 (-4.0A)
BHF  A 800 (-4.7A)
 0.71A 6dwnD-3pm0A:
46.9		 6dwnD-3pm0A:
58.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		11 / 12 ILE A 115
SER A 122
ASN A 222
PHE A 224
PHE A 258
ASP A 313
GLY A 316
ALA A 317
PHE A 319
ILE A 386
LEU A 496
 BHF  A 602 (-4.7A)
HEM  A 601 (-3.4A)
BHF  A 602 ( 3.8A)
BHF  A 602 (-3.3A)
BHF  A 602 ( 3.9A)
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 3.4A)
BHF  A 602 ( 4.7A)
HEM  A 601 (-3.6A)
None
 0.78A 6dwnD-4i8vA:
59.1		 6dwnD-4i8vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		11 / 12 ILE A 115
SER A 122
PHE A 224
PHE A 258
ASP A 313
GLY A 316
ALA A 317
PHE A 319
ASP A 320
ILE A 386
LEU A 496
 BHF  A 602 (-4.7A)
HEM  A 601 (-3.4A)
BHF  A 602 (-3.3A)
BHF  A 602 ( 3.9A)
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 3.4A)
BHF  A 602 ( 4.7A)
BHF  A 602 (-3.7A)
HEM  A 601 (-3.6A)
None
 0.53A 6dwnD-4i8vA:
59.1		 6dwnD-4i8vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		6 / 12 SER A 120
PHE A 224
ASP A 313
GLY A 316
PHE A 319
ASP A 320
 BHF  A 602 ( 4.5A)
BHF  A 602 (-3.3A)
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 4.7A)
BHF  A 602 (-3.7A)
 1.42A 6dwnD-4i8vA:
59.1		 6dwnD-4i8vA:
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.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		4 / 6 ARG A 106
SER A 122
ALA A 317
THR A 321
 HEM  A 601 (-2.7A)
HEM  A 601 (-3.4A)
BHF  A 602 ( 3.4A)
HEM  A 601 (-3.4A)
 1.14A 6ma6A-4i8vA:
34.2		 6ma6A-4i8vA:
8.85