SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3e4e'

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.
1HSH_A_MK1A401_2
(HIV-II PROTEASE)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 9 ALA A 438
ILE A 115
GLY A 300
ILE A 180
ILE A 114
 HEM  A 500 (-3.8A)
HEM  A 500 (-4.0A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.0A)
 0.94A 1hshB-3e4eA:
undetectable		 1hshB-3e4eA:
11.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 12 ARG A 100
PHE A 116
LEU A 210
LEU A 368
PRO A 369
 HEM  A 500 (-2.4A)
None
None
HEM  A 500 (-3.6A)
None
 0.71A 1og5A-3e4eA:
51.4		 1og5A-3e4eA:
59.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 8 PHE A 106
ALA A 105
ILE A 236
ASN A 219
 None
 1.05A 1pnlA-3e4eA:
undetectable
1pnlB-3e4eA:
undetectable		 1pnlA-3e4eA:
16.74
1pnlB-3e4eA:
21.38
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)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		7 / 12 ASN A 206
LEU A 210
VAL A 239
ASP A 295
ALA A 299
THR A 303
LEU A 368
 None
None
None
None
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
HEM  A 500 (-3.6A)
 0.90A 1r9oA-3e4eA:
49.2		 1r9oA-3e4eA:
59.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_C_CHDC3271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 7 LYS A 461
LEU A 460
PHE A 458
LEU A 312
 None
 1.06A 1v55C-3e4eA:
undetectable
1v55J-3e4eA:
undetectable		 1v55C-3e4eA:
19.83
1v55J-3e4eA:
7.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_J_CHDJ3060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 7 ILE A 172
LEU A 308
TYR A 485
LEU A 460
 None
 0.89A 1v55A-3e4eA:
0.3
1v55J-3e4eA:
undetectable		 1v55A-3e4eA:
21.62
1v55J-3e4eA:
7.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_P_CHDP4271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 7 LYS A 461
LEU A 460
PHE A 458
LEU A 312
 None
 1.00A 1v55P-3e4eA:
undetectable
1v55W-3e4eA:
undetectable		 1v55P-3e4eA:
19.83
1v55W-3e4eA:
7.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_W_CHDW4060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 8 ILE A 172
LEU A 308
TYR A 485
LEU A 460
 None
 0.93A 1v55N-3e4eA:
undetectable
1v55W-3e4eA:
undetectable		 1v55N-3e4eA:
21.62
1v55W-3e4eA:
7.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2B60_B_RITB100_1
(GAG-POL POLYPROTEIN)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 12 ALA A 438
ILE A 115
GLY A 300
ILE A 180
ILE A 114
 HEM  A 500 (-3.8A)
HEM  A 500 (-4.0A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.0A)
 0.79A 2b60A-3e4eA:
undetectable		 2b60A-3e4eA:
14.00
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.
2DYS_P_CHDP310_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 7 LYS A 461
LEU A 460
PHE A 458
LEU A 312
 None
 0.98A 2dysP-3e4eA:
1.3
2dysW-3e4eA:
undetectable		 2dysP-3e4eA:
19.83
2dysW-3e4eA:
7.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIJ_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 7 LYS A 461
LEU A 460
PHE A 458
LEU A 312
 None
 0.98A 2eijP-3e4eA:
undetectable
2eijW-3e4eA:
undetectable		 2eijP-3e4eA:
19.83
2eijW-3e4eA:
7.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIM_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 7 LYS A 461
LEU A 460
PHE A 458
LEU A 312
 None
 1.08A 2eimC-3e4eA:
undetectable
2eimJ-3e4eA:
undetectable		 2eimC-3e4eA:
19.83
2eimJ-3e4eA:
7.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIM_W_CHDW1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 7 LYS A 461
LEU A 460
PHE A 458
LEU A 312
 None
 0.98A 2eimP-3e4eA:
undetectable
2eimW-3e4eA:
undetectable		 2eimP-3e4eA:
19.83
2eimW-3e4eA:
7.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIN_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 7 LYS A 461
LEU A 460
PHE A 458
LEU A 312
 None
 1.03A 2einC-3e4eA:
undetectable
2einJ-3e4eA:
undetectable		 2einC-3e4eA:
19.83
2einJ-3e4eA:
7.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HRE_D_CHDD702_0
(FERROCHELATASE)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		3 / 3 ARG A 110
GLY A 119
PRO A 120
 None
 0.55A 2hreD-3e4eA:
undetectable		 2hreD-3e4eA:
19.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNH_A_9CRA501_1
(CYTOCHROME P450 2C8)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 11 ARG A 100
GLY A 101
ILE A 115
ALA A 299
THR A 303
 HEM  A 500 (-2.4A)
None
HEM  A 500 (-4.0A)
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
 0.82A 2nnhA-3e4eA:
51.4		 2nnhA-3e4eA:
59.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 10 ILE A 115
ALA A 299
THR A 303
VAL A 364
PRO A 369
 HEM  A 500 (-4.0A)
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
HEM  A 500 ( 4.4A)
None
 0.69A 2nnjA-3e4eA:
52.3		 2nnjA-3e4eA:
59.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2NNJ_A_225A501_1
(CYTOCHROME P450 2C8)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 10 ILE A 115
LEU A 210
ALA A 299
THR A 303
PRO A 369
 HEM  A 500 (-4.0A)
None
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
None
 1.01A 2nnjA-3e4eA:
52.3		 2nnjA-3e4eA:
59.12
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.
2RKF_A_AB1A501_1
(PROTEASE RETROPEPSIN)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 12 ALA A 438
ILE A 115
GLY A 300
ILE A 180
ILE A 114
 HEM  A 500 (-3.8A)
HEM  A 500 (-4.0A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.0A)
 0.79A 2rkfA-3e4eA:
undetectable		 2rkfA-3e4eA:
11.56
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.
2RKF_A_AB1A501_2
(PROTEASE RETROPEPSIN)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 12 ALA A 438
ILE A 115
GLY A 300
ILE A 180
ILE A 114
 HEM  A 500 (-3.8A)
HEM  A 500 (-4.0A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.0A)
 0.85A 2rkfB-3e4eA:
undetectable		 2rkfB-3e4eA:
11.56
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.
2YGN_A_PCFA1179_1
(WNT INHIBITORY
FACTOR 1)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 5 ILE A 314
PRO A 411
VAL A  86
PHE A 403
 None
 1.11A 2ygnA-3e4eA:
undetectable		 2ygnA-3e4eA:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_P_CHDP1271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 7 LYS A 461
LEU A 460
PHE A 458
LEU A 312
 None
 1.06A 3asoP-3e4eA:
undetectable
3asoW-3e4eA:
undetectable		 3asoP-3e4eA:
19.83
3asoW-3e4eA:
7.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL9_A_DR7A100_1
(PROTEASE)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 8 ALA A 438
GLY A 300
ILE A 180
THR A 292
 HEM  A 500 (-3.8A)
HEM  A 500 (-3.4A)
None
None
 0.74A 3el9A-3e4eA:
undetectable		 3el9A-3e4eA:
13.30
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.
3HS4_A_AZMA702_1
(CARBONIC ANHYDRASE 2)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 7 LYS A 324
TYR A 349
GLU A 356
PRO A 411
 None
 1.10A 3hs4A-3e4eA:
undetectable		 3hs4A-3e4eA:
18.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 9 PHE A 116
PHE A 207
PHE A 298
ALA A 299
VAL A 364
 None
None
None
HEM  A 500 ( 3.3A)
HEM  A 500 ( 4.4A)
 1.14A 3me6D-3e4eA:
54.2		 3me6D-3e4eA:
49.38
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.
3NU4_B_478B401_2
(PROTEASE)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 9 ALA A 438
ILE A 115
GLY A 300
ILE A 180
ILE A 114
 HEM  A 500 (-3.8A)
HEM  A 500 (-4.0A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.0A)
 0.80A 3nu4B-3e4eA:
undetectable		 3nu4B-3e4eA:
13.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RUK_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		6 / 12 PHE A 116
ASP A 295
ALA A 299
THR A 303
VAL A 364
CYH A 437
 None
None
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
HEM  A 500 ( 4.4A)
HEM  A 500 ( 1.6A)
 1.10A 3rukA-3e4eA:
43.4		 3rukA-3e4eA:
31.76
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)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 12 ALA A 438
ILE A 183
LEU A 265
GLY A 300
ALA A 299
 HEM  A 500 (-3.8A)
None
None
HEM  A 500 (-3.4A)
HEM  A 500 ( 3.3A)
 0.98A 3rukB-3e4eA:
43.4		 3rukB-3e4eA:
31.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S43_A_478A401_2
(PROTEASE)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 10 ALA A 438
ILE A 115
GLY A 300
ILE A 180
ILE A 114
 HEM  A 500 (-3.8A)
HEM  A 500 (-4.0A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.0A)
 0.80A 3s43B-3e4eA:
undetectable		 3s43B-3e4eA:
13.90
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.
3S45_B_478B201_1
(PROTEASE)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 9 ALA A 438
ILE A 115
GLY A 300
ILE A 180
ILE A 114
 HEM  A 500 (-3.8A)
HEM  A 500 (-4.0A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.0A)
 0.86A 3s45A-3e4eA:
undetectable		 3s45A-3e4eA:
11.85
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.
3S79_A_ASDA601_1
(CYTOCHROME P450 19A1)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 12 ARG A 100
ILE A 115
ALA A 299
THR A 303
VAL A 364
 HEM  A 500 (-2.4A)
HEM  A 500 (-4.0A)
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
HEM  A 500 ( 4.4A)
 0.72A 3s79A-3e4eA:
37.3		 3s79A-3e4eA:
26.56
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.
3S7S_A_EXMA601_1
(CYTOCHROME P450 19A1)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 9 ARG A 100
ILE A 115
ALA A 299
THR A 303
VAL A 364
 HEM  A 500 (-2.4A)
HEM  A 500 (-4.0A)
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
HEM  A 500 ( 4.4A)
 0.62A 3s7sA-3e4eA:
37.0		 3s7sA-3e4eA:
26.56
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.
3SPK_A_TPVA100_2
(HIV-1 PROTEASE)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 7 ALA A 438
GLY A 300
ILE A 180
THR A 292
 HEM  A 500 (-3.8A)
HEM  A 500 (-3.4A)
None
None
 0.71A 3spkB-3e4eA:
undetectable		 3spkB-3e4eA:
12.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T3Q_A_9PLA501_1
(CYTOCHROME P450 2A6)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 10 PHE A 106
PHE A 116
ALA A 299
THR A 303
PHE A 478
 None
None
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
None
 1.28A 3t3qA-3e4eA:
56.7		 3t3qA-3e4eA:
50.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T3S_A_9PLA1_1
(CYTOCHROME P450 2A13)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 9 PHE A 116
PHE A 207
PHE A 298
ALA A 299
THR A 303
 None
None
None
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
 1.06A 3t3sA-3e4eA:
56.1		 3t3sA-3e4eA:
51.14
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)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 8 PHE A 106
PHE A 116
PHE A 298
ALA A 299
THR A 303
 None
None
None
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
 1.28A 3t3sD-3e4eA:
55.6		 3t3sD-3e4eA:
51.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T3S_E_9PLE1_1
(CYTOCHROME P450 2A13)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 8 PHE A 116
PHE A 207
PHE A 298
ALA A 299
 None
None
None
HEM  A 500 ( 3.3A)
 1.03A 3t3sE-3e4eA:
54.4		 3t3sE-3e4eA:
51.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T3Z_A_9PLA501_1
(CYTOCHROME P450 2E1)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		6 / 6 PHE A 116
LEU A 210
PHE A 298
ALA A 299
THR A 303
LEU A 368
 None
None
None
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
HEM  A 500 (-3.6A)
 0.25A 3t3zA-3e4eA:
63.9		 3t3zA-3e4eA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T3Z_B_9PLB501_1
(CYTOCHROME P450 2E1)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		6 / 6 PHE A 116
LEU A 210
PHE A 298
ALA A 299
THR A 303
LEU A 368
 None
None
None
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
HEM  A 500 (-3.6A)
 0.24A 3t3zB-3e4eA:
63.8		 3t3zB-3e4eA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T3Z_C_9PLC501_1
(CYTOCHROME P450 2E1)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 5 PHE A 106
PHE A 298
ALA A 299
THR A 303
 None
None
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
 0.98A 3t3zC-3e4eA:
63.5		 3t3zC-3e4eA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T3Z_C_9PLC501_1
(CYTOCHROME P450 2E1)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 5 PHE A 116
PHE A 298
ALA A 299
THR A 303
LEU A 368
 None
None
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
HEM  A 500 (-3.6A)
 0.28A 3t3zC-3e4eA:
63.5		 3t3zC-3e4eA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T3Z_D_9PLD501_1
(CYTOCHROME P450 2E1)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		6 / 6 PHE A 116
LEU A 210
PHE A 298
ALA A 299
THR A 303
LEU A 368
 None
None
None
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
HEM  A 500 (-3.6A)
 0.28A 3t3zD-3e4eA:
63.6		 3t3zD-3e4eA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EJG_A_NCTA501_1
(CYTOCHROME P450 2A13)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 7 PHE A 106
PHE A 116
ALA A 299
THR A 303
 None
None
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
 0.92A 4ejgA-3e4eA:
52.3		 4ejgA-3e4eA:
51.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EJG_D_NCTD501_1
(CYTOCHROME P450 2A13)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 6 PHE A 106
PHE A 116
ALA A 299
THR A 303
 None
None
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
 0.90A 4ejgD-3e4eA:
56.2		 4ejgD-3e4eA:
51.14
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.
4HYT_A_OBNA1104_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 5 PRO A 365
ASP A 394
ILE A  53
VAL A  79
 None
 1.32A 4hytA-3e4eA:
undetectable		 4hytA-3e4eA:
18.25
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.
4JJK_A_FOLA601_0
(FORMATE--TETRAHYDROF
OLATE LIGASE)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 8 ASN A 178
ALA A 175
LEU A 450
LEU A 154
 None
 0.93A 4jjkA-3e4eA:
undetectable		 4jjkA-3e4eA:
22.73
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.
4KQ8_A_ASDA602_1
(CYTOCHROME P450 19A1)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 10 ARG A 100
ILE A 115
ALA A 299
THR A 303
VAL A 364
 HEM  A 500 (-2.4A)
HEM  A 500 (-4.0A)
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
HEM  A 500 ( 4.4A)
 0.67A 4kq8A-3e4eA:
37.1		 4kq8A-3e4eA:
28.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJT_B_017B101_1
(PROTEASE)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 11 ALA A 438
GLY A 300
ILE A 180
THR A 292
ILE A 114
 HEM  A 500 (-3.8A)
HEM  A 500 (-3.4A)
None
None
HEM  A 500 (-4.0A)
 0.97A 4njtA-3e4eA:
undetectable		 4njtA-3e4eA:
14.22
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.
4NJU_A_TPVA500_2
(PROTEASE)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 10 ALA A 438
GLY A 300
ILE A 180
THR A 292
ILE A 114
 HEM  A 500 (-3.8A)
HEM  A 500 (-3.4A)
None
None
HEM  A 500 (-4.0A)
 1.07A 4njuB-3e4eA:
undetectable		 4njuB-3e4eA:
14.22
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.
4NJU_C_TPVC500_2
(PROTEASE)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 10 ALA A 438
GLY A 300
ILE A 180
THR A 292
ILE A 114
 HEM  A 500 (-3.8A)
HEM  A 500 (-3.4A)
None
None
HEM  A 500 (-4.0A)
 1.07A 4njuD-3e4eA:
undetectable		 4njuD-3e4eA:
14.22
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.
4NJV_A_RITA500_1
(PROTEASE)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 12 ALA A 438
GLY A 300
ILE A 180
THR A 292
ILE A 114
 HEM  A 500 (-3.8A)
HEM  A 500 (-3.4A)
None
None
HEM  A 500 (-4.0A)
 1.05A 4njvA-3e4eA:
undetectable		 4njvA-3e4eA:
14.22
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)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 12 LEU A 133
ILE A 183
LEU A 265
GLY A 300
ALA A 299
 None
None
None
HEM  A 500 (-3.4A)
HEM  A 500 ( 3.3A)
 0.72A 4nkvB-3e4eA:
43.3		 4nkvB-3e4eA:
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.
4Q1X_A_017A101_2
(ASPARTYL PROTEASE)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 12 ALA A 438
ILE A 115
GLY A 300
ILE A 180
ILE A 114
 HEM  A 500 (-3.8A)
HEM  A 500 (-4.0A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.0A)
 0.91A 4q1xB-3e4eA:
undetectable		 4q1xB-3e4eA:
14.00
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.
4XV2_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 4 GLY A 137
LEU A 449
PHE A 448
ILE A 341
 None
 0.91A 4xv2A-3e4eA:
undetectable		 4xv2A-3e4eA:
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.
5B1A_J_CHDJ102_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 7 ILE A 172
LEU A 308
TYR A 485
LEU A 460
 None
 0.92A 5b1aA-3e4eA:
undetectable
5b1aJ-3e4eA:
undetectable		 5b1aA-3e4eA:
21.62
5b1aJ-3e4eA:
7.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E5J_A_017A201_1
(PROTEASE)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 12 ALA A 438
ILE A 115
GLY A 300
ILE A 180
ILE A 114
 HEM  A 500 (-3.8A)
HEM  A 500 (-4.0A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.0A)
 0.76A 5e5jA-3e4eA:
undetectable		 5e5jA-3e4eA:
13.90
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.
5E5J_A_017A201_2
(PROTEASE)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 12 ALA A 438
ILE A 115
GLY A 300
ILE A 180
ILE A 114
 HEM  A 500 (-3.8A)
HEM  A 500 (-4.0A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.0A)
 0.84A 5e5jB-3e4eA:
undetectable		 5e5jB-3e4eA:
13.90
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.
5E5K_B_017B201_1
(HIV-1 PROTEASE)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 12 ALA A 438
ILE A 115
GLY A 300
ILE A 180
ILE A 114
 HEM  A 500 (-3.8A)
HEM  A 500 (-4.0A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.0A)
 0.76A 5e5kA-3e4eA:
undetectable		 5e5kA-3e4eA:
13.90
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.
5G48_A_1FLA1375_1
(DNA POLYMERASE III
SUBUNIT BETA)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 8 THR A 306
PRO A 176
ILE A 172
LEU A 312
 None
 0.95A 5g48A-3e4eA:
undetectable		 5g48A-3e4eA:
23.59
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.
5HIE_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 7 ILE A 289
GLY A 288
LEU A 199
ASP A 295
 None
 0.73A 5hieB-3e4eA:
undetectable		 5hieB-3e4eA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_D_P06D801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 8 ILE A 289
GLY A 288
PHE A 203
ASP A 295
 None
 0.93A 5hieD-3e4eA:
undetectable		 5hieD-3e4eA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JKV_A_ASDA602_1
(AROMATASE)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 12 ARG A 100
ILE A 115
ALA A 299
THR A 303
VAL A 364
 HEM  A 500 (-2.4A)
HEM  A 500 (-4.0A)
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
HEM  A 500 ( 4.4A)
 0.72A 5jkvA-3e4eA:
37.2		 5jkvA-3e4eA:
26.56
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.
5OY0_1_PQN1842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 10 PHE A 430
ALA A 299
GLY A 439
ILE A 454
LEU A 455
 HEM  A 500 (-4.5A)
HEM  A 500 ( 3.3A)
HEM  A 500 ( 3.7A)
None
None
 1.21A 5oy01-3e4eA:
undetectable
5oy07-3e4eA:
undetectable		 5oy01-3e4eA:
14.14
5oy07-3e4eA:
6.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5T8H_B_478B401_1
(PROTEASE)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 12 ALA A 438
ILE A 115
GLY A 300
ILE A 180
ILE A 114
 HEM  A 500 (-3.8A)
HEM  A 500 (-4.0A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.0A)
 0.77A 5t8hA-3e4eA:
undetectable		 5t8hA-3e4eA:
13.90
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.
5T8H_B_478B401_2
(PROTEASE)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 12 ALA A 438
ILE A 115
GLY A 300
ILE A 180
ILE A 114
 HEM  A 500 (-3.8A)
HEM  A 500 (-4.0A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.0A)
 0.84A 5t8hB-3e4eA:
undetectable		 5t8hB-3e4eA:
13.90
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.
5W97_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 6 LYS A 461
LEU A 460
PHE A 458
LEU A 312
 None
 1.03A 5w97C-3e4eA:
undetectable
5w97J-3e4eA:
undetectable		 5w97C-3e4eA:
19.83
5w97J-3e4eA:
7.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X19_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 6 LYS A 461
LEU A 460
PHE A 458
LEU A 312
 None
 1.12A 5x19P-3e4eA:
1.3		 5x19P-3e4eA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_P_CHDP304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 7 LYS A 461
LEU A 460
PHE A 458
LEU A 312
 None
 1.03A 5x1fP-3e4eA:
undetectable
5x1fW-3e4eA:
undetectable		 5x1fP-3e4eA:
19.83
5x1fW-3e4eA:
7.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X23_A_LSNA502_1
(CYTOCHROME P450 2C9)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 12 ALA A 105
ASN A 206
LEU A 210
VAL A 239
ALA A 299
 None
None
None
None
HEM  A 500 ( 3.3A)
 0.99A 5x23A-3e4eA:
50.6		 5x23A-3e4eA:
59.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XXI_A_LSNA501_1
(CYTOCHROME P450 2C9)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 12 ALA A 105
ASN A 206
ASP A 295
ALA A 299
LEU A 368
 None
None
None
HEM  A 500 ( 3.3A)
HEM  A 500 (-3.6A)
 1.04A 5xxiA-3e4eA:
50.5		 5xxiA-3e4eA:
58.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XXI_A_LSNA501_1
(CYTOCHROME P450 2C9)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		5 / 12 ALA A 105
ASN A 206
VAL A 239
ASP A 295
ALA A 299
 None
None
None
None
HEM  A 500 ( 3.3A)
 0.91A 5xxiA-3e4eA:
50.5		 5xxiA-3e4eA:
58.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 8 ILE A 172
LEU A 308
TYR A 485
LEU A 460
 None
 0.93A 5zcpN-3e4eA:
undetectable
5zcpW-3e4eA:
undetectable		 5zcpN-3e4eA:
21.62
5zcpW-3e4eA:
7.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G9B_A_IXXA609_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN
ENVELOPE
GLYCOPROTEIN)		 3e4e CYTOCHROME P450 2E1
(Homo
sapiens) 		4 / 7 LEU A 455
LEU A 312
LEU A 487
LEU A 154
 None
 0.72A 6g9bA-3e4eA:
0.0
6g9bB-3e4eA:
0.1		 6g9bA-3e4eA:
11.42
6g9bB-3e4eA:
12.78