SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2pg6'

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.
1Z11_A_8MOA501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		10 / 11 PHE A 107
PHE A 111
VAL A 117
PHE A 118
ILE A 300
GLY A 301
THR A 305
ILE A 366
LEU A 370
PHE A 480
 None
None
HEM  A 500 (-3.7A)
None
None
HEM  A 500 ( 4.7A)
HEM  A 500 (-3.6A)
HEM  A 500 ( 4.1A)
HEM  A 500 ( 3.8A)
None
 0.29A 1z11A-2pg6A:
65.2		 1z11A-2pg6A:
99.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1Z11_B_8MOB501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		10 / 11 PHE A 107
PHE A 111
VAL A 117
PHE A 118
ILE A 300
GLY A 301
THR A 305
ILE A 366
LEU A 370
PHE A 480
 None
None
HEM  A 500 (-3.7A)
None
None
HEM  A 500 ( 4.7A)
HEM  A 500 (-3.6A)
HEM  A 500 ( 4.1A)
HEM  A 500 ( 3.8A)
None
 0.34A 1z11B-2pg6A:
64.4		 1z11B-2pg6A:
99.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1Z11_C_8MOC501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		9 / 10 PHE A 107
PHE A 111
VAL A 117
ILE A 300
GLY A 301
THR A 305
ILE A 366
LEU A 370
PHE A 480
 None
None
HEM  A 500 (-3.7A)
None
HEM  A 500 ( 4.7A)
HEM  A 500 (-3.6A)
HEM  A 500 ( 4.1A)
HEM  A 500 ( 3.8A)
None
 0.36A 1z11C-2pg6A:
64.7		 1z11C-2pg6A:
99.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1Z11_D_8MOD501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		9 / 10 PHE A 107
PHE A 111
VAL A 117
ILE A 300
GLY A 301
THR A 305
ILE A 366
LEU A 370
PHE A 480
 None
None
HEM  A 500 (-3.7A)
None
HEM  A 500 ( 4.7A)
HEM  A 500 (-3.6A)
HEM  A 500 ( 4.1A)
HEM  A 500 ( 3.8A)
None
 0.32A 1z11D-2pg6A:
64.7		 1z11D-2pg6A:
99.58
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.
2AVV_A_MK1A901_2
(POL POLYPROTEIN)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		3 / 3 ASP A 427
VAL A 398
PRO A 393
 None
 0.80A 2avvA-2pg6A:
undetectable		 2avvA-2pg6A:
14.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		5 / 7 SER A 131
LEU A 298
GLY A 302
THR A 305
ILE A 366
 None
None
HEM  A 500 (-3.5A)
HEM  A 500 (-3.6A)
HEM  A 500 ( 4.1A)
 1.32A 2bdmA-2pg6A:
39.0		 2bdmA-2pg6A:
55.56
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.
2OA1_B_ADNB2005_1
(TRYPTOPHAN
HALOGENASE)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		4 / 7 GLY A 302
GLY A 301
VAL A 181
LEU A 444
 HEM  A 500 (-3.5A)
HEM  A 500 ( 4.7A)
None
HEM  A 500 ( 4.7A)
 0.78A 2oa1B-2pg6A:
undetectable		 2oa1B-2pg6A:
21.49
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.
2X2I_D_QPSD1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		5 / 10 VAL A  92
SER A 433
SER A 369
VAL A 398
GLY A  83
 None
HEM  A 500 (-2.6A)
HEM  A 500 ( 3.7A)
None
None
 1.37A 2x2iD-2pg6A:
undetectable		 2x2iD-2pg6A:
18.89
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.
2XRZ_A_ACTA1470_0
(DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		4 / 5 ARG A  76
ALA A 105
ASP A 108
GLU A 103
 None
 1.44A 2xrzA-2pg6A:
undetectable		 2xrzA-2pg6A:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YGO_A_PCFA1213_1
(WNT INHIBITORY
FACTOR 1)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		4 / 6 LEU A 160
ILE A 157
MET A 457
VAL A 365
 None
 1.12A 2ygoA-2pg6A:
undetectable		 2ygoA-2pg6A:
17.44
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.
2ZSE_A_PAUA600_0
(PANTOTHENATE KINASE)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		4 / 7 ARG A 101
PHE A 107
PHE A 480
ILE A 300
 HEM  A 500 (-2.6A)
None
None
None
 0.90A 2zseA-2pg6A:
undetectable		 2zseA-2pg6A:
22.56
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.
3GSS_B_EAAB211_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		4 / 7 PHE A 211
ILE A 300
THR A 305
GLY A 207
 None
None
HEM  A 500 (-3.6A)
None
 0.96A 3gssB-2pg6A:
undetectable		 3gssB-2pg6A:
20.61
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.
3GWX_A_EPAA1_1
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		5 / 10 GLN A 150
ILE A 157
LEU A 310
VAL A 178
VAL A 306
 None
None
None
None
HEM  A 500 ( 4.3A)
 0.99A 3gwxA-2pg6A:
undetectable		 3gwxA-2pg6A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWX_A_EPAA1_1
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		5 / 10 GLN A 150
LEU A 310
VAL A 178
VAL A 306
LEU A 449
 None
None
None
HEM  A 500 ( 4.3A)
None
 0.97A 3gwxA-2pg6A:
undetectable		 3gwxA-2pg6A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HS4_A_AZMA702_1
(CARBONIC ANHYDRASE 2)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		4 / 7 VAL A 327
LYS A 326
TYR A 351
PRO A 413
 None
 1.29A 3hs4A-2pg6A:
undetectable		 3hs4A-2pg6A:
18.72
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)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		4 / 7 VAL A 327
TYR A 351
GLU A 358
PRO A 413
 None
 1.15A 3hs4A-2pg6A:
undetectable		 3hs4A-2pg6A:
18.72
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)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		4 / 8 ARG A  76
LEU A 370
ILE A 366
PHE A 480
 None
HEM  A 500 ( 3.8A)
HEM  A 500 ( 4.1A)
None
 0.91A 3ln1A-2pg6A:
0.0		 3ln1A-2pg6A:
21.88
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.
3LN1_B_CELB682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		4 / 7 ARG A  76
LEU A 370
ILE A 366
PHE A 480
 None
HEM  A 500 ( 3.8A)
HEM  A 500 ( 4.1A)
None
 0.91A 3ln1B-2pg6A:
0.2		 3ln1B-2pg6A:
21.88
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.
3PS9_A_SAMA670_1
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		4 / 6 GLY A 388
THR A 389
LEU A 385
ASP A 377
 None
 0.99A 3ps9A-2pg6A:
undetectable		 3ps9A-2pg6A:
20.27
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.
3QT0_A_486A4_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		4 / 4 LYS A 250
GLN A 242
ILE A 208
LEU A 202
 None
 0.96A 3qt0A-2pg6A:
0.0		 3qt0A-2pg6A:
18.70
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)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		7 / 10 PHE A 107
PHE A 111
VAL A 117
PHE A 118
THR A 305
ILE A 366
PHE A 480
 None
None
HEM  A 500 (-3.7A)
None
HEM  A 500 (-3.6A)
HEM  A 500 ( 4.1A)
None
 0.53A 3t3qA-2pg6A:
64.4		 3t3qA-2pg6A:
98.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T3Q_B_9PLB501_1
(CYTOCHROME P450 2A6)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		7 / 10 PHE A 107
PHE A 111
VAL A 117
PHE A 118
THR A 305
ILE A 366
PHE A 480
 None
None
HEM  A 500 (-3.7A)
None
HEM  A 500 (-3.6A)
HEM  A 500 ( 4.1A)
None
 0.53A 3t3qB-2pg6A:
64.9		 3t3qB-2pg6A:
98.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T3Q_C_9PLC501_1
(CYTOCHROME P450 2A6)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		7 / 10 PHE A 107
PHE A 111
VAL A 117
PHE A 118
THR A 305
ILE A 366
PHE A 480
 None
None
HEM  A 500 (-3.7A)
None
HEM  A 500 (-3.6A)
HEM  A 500 ( 4.1A)
None
 0.52A 3t3qC-2pg6A:
64.3		 3t3qC-2pg6A:
98.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T3Q_D_9PLD501_1
(CYTOCHROME P450 2A6)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		7 / 10 PHE A 107
PHE A 111
VAL A 117
PHE A 118
THR A 305
ILE A 366
PHE A 480
 None
None
HEM  A 500 (-3.7A)
None
HEM  A 500 (-3.6A)
HEM  A 500 ( 4.1A)
None
 0.55A 3t3qD-2pg6A:
64.4		 3t3qD-2pg6A:
98.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T3R_A_9PLA501_1
(CYTOCHROME P450 2A6)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		10 / 11 PHE A 107
PHE A 111
VAL A 117
PHE A 118
PHE A 209
ILE A 300
GLY A 301
THR A 305
LEU A 370
PHE A 480
 None
None
HEM  A 500 (-3.7A)
None
None
None
HEM  A 500 ( 4.7A)
HEM  A 500 (-3.6A)
HEM  A 500 ( 3.8A)
None
 0.62A 3t3rA-2pg6A:
63.9		 3t3rA-2pg6A:
99.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T3R_A_9PLA501_1
(CYTOCHROME P450 2A6)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		5 / 11 PHE A 271
PHE A 267
GLY A 115
LEU A 298
PHE A 440
 None
None
None
None
HEM  A 500 (-3.9A)
 1.15A 3t3rA-2pg6A:
63.9		 3t3rA-2pg6A:
99.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T3R_B_9PLB501_1
(CYTOCHROME P450 2A6)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		8 / 9 PHE A 107
PHE A 111
VAL A 117
PHE A 209
ILE A 300
GLY A 301
THR A 305
PHE A 480
 None
None
HEM  A 500 (-3.7A)
None
None
HEM  A 500 ( 4.7A)
HEM  A 500 (-3.6A)
None
 0.60A 3t3rB-2pg6A:
64.3		 3t3rB-2pg6A:
99.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T3R_C_9PLC501_1
(CYTOCHROME P450 2A6)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		8 / 9 PHE A 107
PHE A 111
VAL A 117
PHE A 209
ILE A 300
GLY A 301
THR A 305
PHE A 480
 None
None
HEM  A 500 (-3.7A)
None
None
HEM  A 500 ( 4.7A)
HEM  A 500 (-3.6A)
None
 0.50A 3t3rC-2pg6A:
63.9		 3t3rC-2pg6A:
99.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T3R_D_9PLD501_1
(CYTOCHROME P450 2A6)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		9 / 10 PHE A 107
PHE A 111
VAL A 117
PHE A 118
PHE A 209
ILE A 300
GLY A 301
THR A 305
PHE A 480
 None
None
HEM  A 500 (-3.7A)
None
None
None
HEM  A 500 ( 4.7A)
HEM  A 500 (-3.6A)
None
 0.74A 3t3rD-2pg6A:
62.6		 3t3rD-2pg6A:
99.58
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)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		4 / 8 PHE A 107
PHE A 111
PHE A 118
THR A 305
 None
None
None
HEM  A 500 (-3.6A)
 0.45A 3t3sD-2pg6A:
61.6		 3t3sD-2pg6A:
94.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T3S_F_9PLF1_1
(CYTOCHROME P450 2A13)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		4 / 8 PHE A 107
PHE A 111
PHE A 209
THR A 305
 None
None
None
HEM  A 500 (-3.6A)
 0.67A 3t3sF-2pg6A:
58.7		 3t3sF-2pg6A:
94.12
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)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		5 / 12 PHE A 440
ILE A 208
THR A 294
PHE A 480
ALA A 481
 HEM  A 500 (-3.9A)
None
None
None
None
 1.23A 3ua1A-2pg6A:
35.9		 3ua1A-2pg6A:
30.04
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.
4C49_C_HCYC1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		5 / 12 SER A 175
THR A 212
PHE A 107
ILE A 300
PHE A 209
 None
 1.47A 4c49C-2pg6A:
undetectable		 4c49C-2pg6A:
21.49
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.
4DUB_B_LDPB501_1
(CYTOCHROME P450 BM3
VARIANT 9D7)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		5 / 6 PHE A  98
ALA A  90
PRO A  34
LEU A  81
VAL A  68
 None
 1.33A 4dubB-2pg6A:
34.8		 4dubB-2pg6A:
25.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EJG_C_NCTC501_1
(CYTOCHROME P450 2A13)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		4 / 7 PHE A 107
PHE A 111
PHE A 118
LEU A 370
 None
None
None
HEM  A 500 ( 3.8A)
 0.57A 4ejgC-2pg6A:
62.5		 4ejgC-2pg6A:
94.12
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)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		6 / 7 PHE A 107
PHE A 209
GLY A 301
THR A 305
ILE A 366
PHE A 480
 None
None
HEM  A 500 ( 4.7A)
HEM  A 500 (-3.6A)
HEM  A 500 ( 4.1A)
None
 0.41A 4ejjA-2pg6A:
64.2		 4ejjA-2pg6A:
99.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EJJ_B_NCTB501_1
(CYTOCHROME P450 2A6)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		6 / 7 PHE A 107
VAL A 117
PHE A 209
GLY A 301
THR A 305
PHE A 480
 None
HEM  A 500 (-3.7A)
None
HEM  A 500 ( 4.7A)
HEM  A 500 (-3.6A)
None
 0.37A 4ejjB-2pg6A:
64.3		 4ejjB-2pg6A:
99.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EJJ_C_NCTC501_1
(CYTOCHROME P450 2A6)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		5 / 5 PHE A 107
PHE A 209
ILE A 300
GLY A 301
THR A 305
 None
None
None
HEM  A 500 ( 4.7A)
HEM  A 500 (-3.6A)
 0.34A 4ejjC-2pg6A:
64.2		 4ejjC-2pg6A:
99.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EJJ_D_NCTD501_1
(CYTOCHROME P450 2A6)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		6 / 7 PHE A 107
GLY A 301
THR A 305
ILE A 366
LEU A 370
PHE A 480
 None
HEM  A 500 ( 4.7A)
HEM  A 500 (-3.6A)
HEM  A 500 ( 4.1A)
HEM  A 500 ( 3.8A)
None
 0.47A 4ejjD-2pg6A:
63.8		 4ejjD-2pg6A:
99.58
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.
4POO_A_SAMA301_0
(PUTATIVE RNA
METHYLASE)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		5 / 12 GLY A 396
ILE A 366
LEU A 399
THR A 482
SER A 213
 None
HEM  A 500 ( 4.1A)
None
None
None
 1.29A 4pooA-2pg6A:
undetectable		 4pooA-2pg6A:
20.19
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.
4QA2_A_SHHA404_2
(HISTONE DEACETYLASE
8)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		3 / 3 PRO A 393
MET A 394
TYR A 392
 None
 1.03A 4qa2B-2pg6A:
undetectable		 4qa2B-2pg6A:
22.77
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.
4QOP_A_HQEA503_1
(CATALASE)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		5 / 9 ILE A 268
ASP A 269
PRO A 264
PHE A 138
ASP A 189
 None
 1.41A 4qopA-2pg6A:
undetectable		 4qopA-2pg6A:
23.20
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)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		4 / 5 PHE A 314
PHE A 460
PHE A 491
VAL A 456
 None
 1.17A 5a1rA-2pg6A:
35.7		 5a1rA-2pg6A:
30.04
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_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		4 / 7 GLY A 336
PHE A 452
ASP A 345
PHE A 343
 None
 0.85A 5hieA-2pg6A:
undetectable		 5hieA-2pg6A:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		4 / 7 GLY A 336
PHE A 452
ASP A 345
PHE A 343
 None
 0.88A 5hieB-2pg6A:
undetectable		 5hieB-2pg6A:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_D_P06D801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		4 / 8 GLY A 336
PHE A 452
ASP A 345
PHE A 343
 None
 0.86A 5hieD-2pg6A:
undetectable		 5hieD-2pg6A:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEO_A_VDYA206_1
(CDL2.3A)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		5 / 12 LEU A 370
PHE A 118
LEU A 241
LEU A 296
THR A 212
 HEM  A 500 ( 3.8A)
None
None
None
None
 1.34A 5ieoA-2pg6A:
undetectable		 5ieoA-2pg6A:
15.02
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.
5NZX_A_9F2A1102_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		4 / 8 PHE A 238
THR A 214
GLN A 234
GLY A 217
 None
 0.96A 5nzxA-2pg6A:
undetectable		 5nzxA-2pg6A:
21.88
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.
5NZY_A_CE3A1102_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		4 / 7 PHE A 238
THR A 214
GLN A 234
GLY A 217
 None
 0.95A 5nzyA-2pg6A:
undetectable		 5nzyA-2pg6A:
21.88
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.
5XIP_A_HFGA1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		5 / 12 LEU A 296
PHE A 118
PHE A 480
SER A 213
GLY A 217
 None
 1.22A 5xipA-2pg6A:
undetectable		 5xipA-2pg6A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YW0_A_ACTA411_0
(UNCHARACTERIZED
PROTEIN KDOO)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		3 / 3 LYS A 463
LEU A 492
ARG A 461
 None
 0.90A 5yw0A-2pg6A:
undetectable		 5yw0A-2pg6A:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		 2pg6 CYTOCHROME P450 2A6
(Homo
sapiens) 		3 / 3 ASP A 169
SER A 175
SER A 307
 None
 0.73A 6mxtA-2pg6A:
undetectable		 6mxtA-2pg6A:
21.10