SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2QH'


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.
1KIJ_B_NOVB444_1
(DNA GYRASE SUBUNIT B)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		5 / 12 GLU A 374
ARG A 372
ILE A 396
PRO A 397
ILE A  84
 2QH  A 602 ( 4.8A)
None
None
None
None
 1.14A 1kijB-4ny4A:
undetectable		 1kijB-4ny4A:
20.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1W0F_A_STRA1499_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		4 / 4 PHE A 213
ASP A 217
PHE A 219
VAL A 240
 2QH  A 602 (-4.2A)
None
None
None
 1.01A 1w0fA-4ny4A:
57.1		 1w0fA-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		6 / 6 ARG A 105
SER A 119
ILE A 301
ALA A 305
THR A 309
ALA A 370
 HEM  A 601 ( 2.8A)
2QH  A 602 (-3.9A)
None
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
2QH  A 602 ( 3.1A)
 0.41A 1w0gA-4ny4A:
56.9		 1w0gA-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2J0D_A_ERYA1498_0
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		10 / 12 PHE A  57
ARG A 106
PHE A 108
SER A 119
ILE A 120
ILE A 301
PHE A 304
ALA A 370
ARG A 372
GLU A 374
 None
None
2QH  A 602 (-4.4A)
2QH  A 602 (-3.9A)
None
None
2QH  A 602 (-3.3A)
2QH  A 602 ( 3.1A)
None
2QH  A 602 ( 4.8A)
 0.75A 2j0dA-4ny4A:
54.0		 2j0dA-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2J0D_A_ERYA1498_0
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		11 / 12 PHE A  57
PHE A 108
SER A 119
ILE A 120
ILE A 301
PHE A 304
ALA A 305
THR A 309
ALA A 370
ARG A 372
GLU A 374
 None
2QH  A 602 (-4.4A)
2QH  A 602 (-3.9A)
None
None
2QH  A 602 (-3.3A)
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
2QH  A 602 ( 3.1A)
None
2QH  A 602 ( 4.8A)
 0.89A 2j0dA-4ny4A:
54.0		 2j0dA-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_A_KLNA1500_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		6 / 11 ARG A 105
SER A 119
LEU A 210
ILE A 301
ALA A 305
MET A 371
 HEM  A 601 ( 2.8A)
2QH  A 602 (-3.9A)
None
None
2QH  A 602 ( 3.6A)
None
 1.03A 2v0mA-4ny4A:
53.2		 2v0mA-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_A_KLNA1500_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		7 / 11 PHE A  57
ARG A 105
SER A 119
ILE A 301
ALA A 305
MET A 371
ARG A 372
 None
HEM  A 601 ( 2.8A)
2QH  A 602 (-3.9A)
None
2QH  A 602 ( 3.6A)
None
None
 0.55A 2v0mA-4ny4A:
53.2		 2v0mA-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_A_KLNA1500_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		6 / 11 PHE A  57
ARG A 105
SER A 119
ILE A 301
PHE A 304
ALA A 305
 None
HEM  A 601 ( 2.8A)
2QH  A 602 (-3.9A)
None
2QH  A 602 (-3.3A)
2QH  A 602 ( 3.6A)
 1.19A 2v0mA-4ny4A:
53.2		 2v0mA-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_A_KLNA1500_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		5 / 11 SER A 119
ILE A 301
ALA A 305
MET A 371
GLU A 374
 2QH  A 602 (-3.9A)
None
2QH  A 602 ( 3.6A)
None
2QH  A 602 ( 4.8A)
 0.74A 2v0mA-4ny4A:
53.2		 2v0mA-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_A_KLNA1500_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		5 / 11 SER A 119
ILE A 301
PHE A 304
ALA A 305
GLU A 374
 2QH  A 602 (-3.9A)
None
2QH  A 602 (-3.3A)
2QH  A 602 ( 3.6A)
2QH  A 602 ( 4.8A)
 1.22A 2v0mA-4ny4A:
53.2		 2v0mA-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_A_KLNA1501_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		7 / 10 PHE A  57
ASP A  76
ARG A 106
SER A 119
ILE A 120
THR A 224
ILE A 301
 None
None
None
2QH  A 602 (-3.9A)
None
None
None
 0.62A 2v0mA-4ny4A:
53.2		 2v0mA-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_B_KLNB1498_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		5 / 9 PHE A  57
ARG A 105
LEU A 210
ILE A 301
ALA A 305
 None
HEM  A 601 ( 2.8A)
None
None
2QH  A 602 ( 3.6A)
 1.01A 2v0mB-4ny4A:
53.2		 2v0mB-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_B_KLNB1498_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		6 / 9 PHE A  57
ARG A 105
SER A 119
ILE A 301
ALA A 305
GLU A 374
 None
HEM  A 601 ( 2.8A)
2QH  A 602 (-3.9A)
None
2QH  A 602 ( 3.6A)
2QH  A 602 ( 4.8A)
 0.61A 2v0mB-4ny4A:
53.2		 2v0mB-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_B_KLNB1499_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		4 / 7 PHE A  57
SER A 119
ILE A 120
ILE A 301
 None
2QH  A 602 (-3.9A)
None
None
 0.60A 2v0mB-4ny4A:
53.2		 2v0mB-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_B_KLNB1499_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		4 / 7 PHE A  57
SER A 119
THR A 224
ILE A 301
 None
2QH  A 602 (-3.9A)
None
None
 0.57A 2v0mB-4ny4A:
53.2		 2v0mB-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_C_KLNC1498_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		6 / 12 ARG A 105
SER A 119
LEU A 210
ILE A 301
ALA A 305
THR A 309
 HEM  A 601 ( 2.8A)
2QH  A 602 (-3.9A)
None
None
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
 1.01A 2v0mC-4ny4A:
51.9		 2v0mC-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_C_KLNC1498_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		9 / 12 PHE A  57
ARG A 105
SER A 119
PHE A 241
ILE A 301
ALA A 305
THR A 309
MET A 371
ARG A 372
 None
HEM  A 601 ( 2.8A)
2QH  A 602 (-3.9A)
2QH  A 602 (-4.5A)
None
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
None
None
 0.82A 2v0mC-4ny4A:
51.9		 2v0mC-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_C_KLNC1498_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		6 / 12 PHE A  57
PHE A 241
ALA A 305
THR A 309
MET A 371
GLU A 374
 None
2QH  A 602 (-4.5A)
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
None
2QH  A 602 ( 4.8A)
 1.18A 2v0mC-4ny4A:
51.9		 2v0mC-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_D_KLND1498_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		7 / 11 ARG A 105
SER A 119
ILE A 301
ALA A 305
THR A 309
MET A 371
ARG A 372
 HEM  A 601 ( 2.8A)
2QH  A 602 (-3.9A)
None
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
None
None
 0.59A 2v0mD-4ny4A:
53.0		 2v0mD-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_D_KLND1498_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		5 / 11 ARG A 105
SER A 119
ILE A 301
PHE A 304
ALA A 305
 HEM  A 601 ( 2.8A)
2QH  A 602 (-3.9A)
None
2QH  A 602 (-3.3A)
2QH  A 602 ( 3.6A)
 1.06A 2v0mD-4ny4A:
53.0		 2v0mD-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_D_KLND1498_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		7 / 11 ARG A 105
SER A 119
LEU A 210
ILE A 301
ALA A 305
THR A 309
MET A 371
 HEM  A 601 ( 2.8A)
2QH  A 602 (-3.9A)
None
None
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
None
 1.03A 2v0mD-4ny4A:
53.0		 2v0mD-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_D_KLND1498_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		5 / 11 ILE A 301
ALA A 305
THR A 309
MET A 371
GLU A 374
 None
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
None
2QH  A 602 ( 4.8A)
 0.81A 2v0mD-4ny4A:
53.0		 2v0mD-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NXU_A_RITA600_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		5 / 12 PHE A 108
SER A 119
ILE A 301
PHE A 304
GLU A 374
 2QH  A 602 (-4.4A)
2QH  A 602 (-3.9A)
None
2QH  A 602 (-3.3A)
2QH  A 602 ( 4.8A)
 1.02A 3nxuA-4ny4A:
53.3		 3nxuA-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NXU_A_RITA600_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		8 / 12 PHE A 108
SER A 119
PHE A 241
ILE A 301
ALA A 305
ILE A 369
ALA A 370
GLU A 374
 2QH  A 602 (-4.4A)
2QH  A 602 (-3.9A)
2QH  A 602 (-4.5A)
None
2QH  A 602 ( 3.6A)
HEM  A 601 (-4.7A)
2QH  A 602 ( 3.1A)
2QH  A 602 ( 4.8A)
 0.82A 3nxuA-4ny4A:
53.3		 3nxuA-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NXU_A_RITA600_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		6 / 12 SER A 119
LEU A 210
ILE A 301
ALA A 305
ILE A 369
ALA A 370
 2QH  A 602 (-3.9A)
None
None
2QH  A 602 ( 3.6A)
HEM  A 601 (-4.7A)
2QH  A 602 ( 3.1A)
 1.04A 3nxuA-4ny4A:
53.3		 3nxuA-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NXU_A_RITA600_2
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		4 / 7 ARG A 105
ILE A 120
THR A 309
ARG A 372
 HEM  A 601 ( 2.8A)
None
2QH  A 602 ( 3.7A)
None
 0.45A 3nxuA-4ny4A:
53.3		 3nxuA-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NXU_B_RITB600_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		7 / 12 MET A 114
SER A 119
LEU A 210
ILE A 301
ALA A 305
ILE A 369
ALA A 370
 None
2QH  A 602 (-3.9A)
None
None
2QH  A 602 ( 3.6A)
HEM  A 601 (-4.7A)
2QH  A 602 ( 3.1A)
 1.04A 3nxuB-4ny4A:
53.1		 3nxuB-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NXU_B_RITB600_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		8 / 12 PHE A 108
MET A 114
SER A 119
PHE A 241
ILE A 301
ALA A 305
ILE A 369
ALA A 370
 2QH  A 602 (-4.4A)
None
2QH  A 602 (-3.9A)
2QH  A 602 (-4.5A)
None
2QH  A 602 ( 3.6A)
HEM  A 601 (-4.7A)
2QH  A 602 ( 3.1A)
 0.81A 3nxuB-4ny4A:
53.1		 3nxuB-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NXU_B_RITB600_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		8 / 12 PHE A 108
MET A 114
SER A 119
THR A 224
ILE A 301
ALA A 305
ILE A 369
ALA A 370
 2QH  A 602 (-4.4A)
None
2QH  A 602 (-3.9A)
None
None
2QH  A 602 ( 3.6A)
HEM  A 601 (-4.7A)
2QH  A 602 ( 3.1A)
 0.83A 3nxuB-4ny4A:
53.1		 3nxuB-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NXU_B_RITB600_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		6 / 12 PHE A 108
SER A 119
THR A 224
ILE A 301
PHE A 304
ALA A 305
 2QH  A 602 (-4.4A)
2QH  A 602 (-3.9A)
None
None
2QH  A 602 (-3.3A)
2QH  A 602 ( 3.6A)
 1.32A 3nxuB-4ny4A:
53.1		 3nxuB-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NXU_B_RITB600_2
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		6 / 9 ARG A 105
ILE A 120
THR A 309
ARG A 372
LEU A 373
GLU A 374
 HEM  A 601 ( 2.8A)
None
2QH  A 602 ( 3.7A)
None
HEM  A 601 (-4.1A)
2QH  A 602 ( 4.8A)
 0.53A 3nxuB-4ny4A:
53.1		 3nxuB-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NXU_B_RITB600_2
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		6 / 9 ARG A 105
THR A 309
ARG A 372
LEU A 373
GLU A 374
GLY A 481
 HEM  A 601 ( 2.8A)
2QH  A 602 ( 3.7A)
None
HEM  A 601 (-4.1A)
2QH  A 602 ( 4.8A)
None
 0.83A 3nxuB-4ny4A:
53.1		 3nxuB-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		11 / 12 PHE A  57
ASP A  76
ARG A 105
ARG A 106
SER A 119
ILE A 120
PHE A 215
THR A 224
ALA A 305
THR A 309
ALA A 370
 None
None
HEM  A 601 ( 2.8A)
None
2QH  A 602 (-3.9A)
None
2QH  A 602 (-3.9A)
None
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
2QH  A 602 ( 3.1A)
 0.48A 3ua1A-4ny4A:
58.4		 3ua1A-4ny4A:
99.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XEY_A_1N1A601_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		3 / 3 MET A 371
ASP A 214
PHE A 213
 None
None
2QH  A 602 (-4.2A)
 0.98A 4xeyA-4ny4A:
undetectable		 4xeyA-4ny4A:
21.66
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.
4XEY_B_1N1B601_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		3 / 3 MET A 371
ASP A 214
PHE A 213
 None
None
2QH  A 602 (-4.2A)
 0.97A 4xeyB-4ny4A:
undetectable		 4xeyB-4ny4A:
21.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5A1R_A_STRA600_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		5 / 5 PHE A 213
ASP A 217
PHE A 219
PHE A 220
VAL A 240
 2QH  A 602 (-4.2A)
None
None
None
None
 0.89A 5a1rA-4ny4A:
58.2		 5a1rA-4ny4A:
99.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TE8_B_08JB602_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		5 / 8 ARG A 105
SER A 119
ALA A 305
THR A 309
ALA A 370
 HEM  A 601 ( 2.8A)
2QH  A 602 (-3.9A)
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
2QH  A 602 ( 3.1A)
 0.75A 5te8B-4ny4A:
51.5		 5te8B-4ny4A:
99.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VC0_A_RITA602_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		5 / 12 ASP A  76
ARG A 106
LEU A 211
ILE A 369
ALA A 370
 None
None
None
HEM  A 601 (-4.7A)
2QH  A 602 ( 3.1A)
 0.97A 5vc0A-4ny4A:
53.4		 5vc0A-4ny4A:
99.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VC0_A_RITA602_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		8 / 12 ASP A  76
ARG A 106
PHE A 108
SER A 119
ILE A 301
ALA A 305
ILE A 369
ALA A 370
 None
None
2QH  A 602 (-4.4A)
2QH  A 602 (-3.9A)
None
2QH  A 602 ( 3.6A)
HEM  A 601 (-4.7A)
2QH  A 602 ( 3.1A)
 0.62A 5vc0A-4ny4A:
53.4		 5vc0A-4ny4A:
99.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VC0_A_RITA602_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		7 / 12 ASP A  76
ARG A 106
PHE A 108
SER A 119
ILE A 301
PHE A 304
ALA A 305
 None
None
2QH  A 602 (-4.4A)
2QH  A 602 (-3.9A)
None
2QH  A 602 (-3.3A)
2QH  A 602 ( 3.6A)
 1.16A 5vc0A-4ny4A:
53.4		 5vc0A-4ny4A:
99.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VC0_A_RITA602_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		5 / 12 PHE A  57
PHE A 108
SER A 119
ILE A 301
ALA A 305
 None
2QH  A 602 (-4.4A)
2QH  A 602 (-3.9A)
None
2QH  A 602 ( 3.6A)
 1.00A 5vc0A-4ny4A:
53.4		 5vc0A-4ny4A:
99.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VC0_A_RITA602_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		6 / 12 SER A 119
LEU A 210
ILE A 301
ALA A 305
ILE A 369
ALA A 370
 2QH  A 602 (-3.9A)
None
None
2QH  A 602 ( 3.6A)
HEM  A 601 (-4.7A)
2QH  A 602 ( 3.1A)
 0.97A 5vc0A-4ny4A:
53.4		 5vc0A-4ny4A:
99.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VC0_A_RITA602_2
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		5 / 7 ARG A 105
ILE A 120
THR A 224
THR A 309
ARG A 372
 HEM  A 601 ( 2.8A)
None
None
2QH  A 602 ( 3.7A)
None
 0.73A 5vc0A-4ny4A:
53.2		 5vc0A-4ny4A:
99.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VCE_A_RITA602_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		10 / 12 PHE A 108
SER A 119
ILE A 120
PHE A 241
ILE A 301
ALA A 305
THR A 309
ILE A 369
ALA A 370
GLU A 374
 2QH  A 602 (-4.4A)
2QH  A 602 (-3.9A)
None
2QH  A 602 (-4.5A)
None
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
HEM  A 601 (-4.7A)
2QH  A 602 ( 3.1A)
2QH  A 602 ( 4.8A)
 0.61A 5vceA-4ny4A:
57.8		 5vceA-4ny4A:
98.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VCE_A_RITA602_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		7 / 12 SER A 119
ILE A 120
ARG A 212
PHE A 241
ILE A 301
THR A 309
ILE A 369
 2QH  A 602 (-3.9A)
None
2QH  A 602 (-4.0A)
2QH  A 602 (-4.5A)
None
2QH  A 602 ( 3.7A)
HEM  A 601 (-4.7A)
 1.24A 5vceA-4ny4A:
57.8		 5vceA-4ny4A:
98.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VCE_A_RITA602_2
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		5 / 6 ARG A 105
ARG A 106
PHE A 213
ILE A 223
THR A 224
 HEM  A 601 ( 2.8A)
None
2QH  A 602 (-4.2A)
None
None
 0.50A 5vceA-4ny4A:
57.8		 5vceA-4ny4A:
98.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		11 / 12 PHE A  57
ASP A  76
PHE A 108
SER A 119
ILE A 120
PHE A 215
THR A 224
ALA A 305
THR A 309
ALA A 370
GLU A 374
 None
None
2QH  A 602 (-4.4A)
2QH  A 602 (-3.9A)
None
2QH  A 602 (-3.9A)
None
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
2QH  A 602 ( 3.1A)
2QH  A 602 ( 4.8A)
 0.62A 5vcgA-4ny4A:
58.5		 5vcgA-4ny4A:
98.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VEU_A_RITA602_1
(CYTOCHROME P450 3A5)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		5 / 12 ARG A 106
ALA A 305
THR A 309
ALA A 370
GLY A 481
 None
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
2QH  A 602 ( 3.1A)
None
 0.86A 5veuA-4ny4A:
51.5		 5veuA-4ny4A:
83.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VEU_A_RITA602_1
(CYTOCHROME P450 3A5)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		5 / 12 SER A 119
PHE A 213
ALA A 305
THR A 309
ALA A 370
 2QH  A 602 (-3.9A)
2QH  A 602 (-4.2A)
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
2QH  A 602 ( 3.1A)
 1.11A 5veuA-4ny4A:
51.5		 5veuA-4ny4A:
83.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VEU_A_RITA602_1
(CYTOCHROME P450 3A5)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		6 / 12 SER A 119
PHE A 241
ILE A 301
ALA A 305
THR A 309
ALA A 370
 2QH  A 602 (-3.9A)
2QH  A 602 (-4.5A)
None
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
2QH  A 602 ( 3.1A)
 0.84A 5veuA-4ny4A:
51.5		 5veuA-4ny4A:
83.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VEU_B_RITB602_1
(CYTOCHROME P450 3A5)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		6 / 12 SER A 119
PHE A 241
ILE A 301
ALA A 305
THR A 309
ALA A 370
 2QH  A 602 (-3.9A)
2QH  A 602 (-4.5A)
None
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
2QH  A 602 ( 3.1A)
 0.64A 5veuB-4ny4A:
51.8		 5veuB-4ny4A:
83.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VEU_H_RITH602_1
(CYTOCHROME P450 3A5)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		5 / 12 ARG A 105
ALA A 305
THR A 309
GLU A 374
GLY A 481
 HEM  A 601 ( 2.8A)
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
2QH  A 602 ( 4.8A)
None
 0.89A 5veuH-4ny4A:
51.8		 5veuH-4ny4A:
83.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VEU_H_RITH602_1
(CYTOCHROME P450 3A5)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		5 / 12 ARG A 105
SER A 119
ALA A 305
THR A 309
GLU A 374
 HEM  A 601 ( 2.8A)
2QH  A 602 (-3.9A)
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
2QH  A 602 ( 4.8A)
 0.65A 5veuH-4ny4A:
51.8		 5veuH-4ny4A:
83.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VEU_H_RITH602_1
(CYTOCHROME P450 3A5)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		6 / 12 ARG A 105
SER A 119
PHE A 241
ILE A 301
ALA A 305
THR A 309
 HEM  A 601 ( 2.8A)
2QH  A 602 (-3.9A)
2QH  A 602 (-4.5A)
None
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
 0.66A 5veuH-4ny4A:
51.8		 5veuH-4ny4A:
83.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X5Q_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		4 / 7 PHE A 213
LEU A 482
GLY A 481
PHE A 215
 2QH  A 602 (-4.2A)
None
None
2QH  A 602 (-3.9A)
 0.88A 5x5qC-4ny4A:
undetectable		 5x5qC-4ny4A:
22.13
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.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		4 / 8 PHE A 213
LEU A 482
GLY A 481
PHE A 215
 2QH  A 602 (-4.2A)
None
None
2QH  A 602 (-3.9A)
 0.86A 5x5qD-4ny4A:
undetectable		 5x5qD-4ny4A:
22.13
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.
5X5Q_F_D16F402_1
(THYMIDYLATE SYNTHASE)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		4 / 8 PHE A 213
LEU A 482
GLY A 481
PHE A 215
 2QH  A 602 (-4.2A)
None
None
2QH  A 602 (-3.9A)
 0.87A 5x5qF-4ny4A:
undetectable		 5x5qF-4ny4A:
22.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		5 / 6 ARG A 105
SER A 119
ALA A 305
THR A 309
ALA A 370
 HEM  A 601 ( 2.8A)
2QH  A 602 (-3.9A)
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
2QH  A 602 ( 3.1A)
 0.38A 6ma6A-4ny4A:
57.9		 6ma6A-4ny4A:
97.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6MA7_A_TPFA602_0
(CYTOCHROME P450 3A4)		 4ny4 CYTOCHROME P450 3A4
(Homo
sapiens) 		5 / 7 ARG A 105
SER A 119
ALA A 305
THR A 309
ALA A 370
 HEM  A 601 ( 2.8A)
2QH  A 602 (-3.9A)
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
2QH  A 602 ( 3.1A)
 0.47A 6ma7A-4ny4A:
57.6		 6ma7A-4ny4A:
97.47