SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5xxi'

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.
1MXD_A_ACRA734_1
(ALPHA AMYLASE)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		4 / 6 ASN A 116
TRP A 120
HIS A 368
GLY A  98
 None
HEM  A 504 (-4.0A)
HEM  A 504 (-3.8A)
None
 1.28A 1mxdA-5xxiA:
undetectable		 1mxdA-5xxiA:
19.88
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)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		6 / 9 PHE A 114
GLY A 296
ALA A 297
THR A 301
LEU A 362
LEU A 366
 LSN  A 503 (-3.8A)
LSN  A 501 (-3.5A)
LSN  A 501 ( 3.3A)
HEM  A 504 (-4.0A)
LSN  A 503 ( 3.7A)
HEM  A 504 ( 4.4A)
 0.76A 1nr6A-5xxiA:
55.4		 1nr6A-5xxiA:
76.24
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)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		7 / 12 ARG A  97
LEU A 208
ASN A 218
LEU A 366
PRO A 367
LEU A 388
PHE A 476
 HEM  A 504 (-2.5A)
LSN  A 501 (-3.9A)
LSN  A 503 (-3.1A)
HEM  A 504 ( 4.4A)
LSN  A 503 (-4.1A)
LSN  A 503 (-4.6A)
LSN  A 503 (-3.8A)
 0.86A 1og5A-5xxiA:
53.4		 1og5A-5xxiA:
96.80
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)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		7 / 12 ARG A  97
LEU A 208
THR A 364
LEU A 366
PRO A 367
LEU A 388
PHE A 476
 HEM  A 504 (-2.5A)
LSN  A 501 (-3.9A)
LSN  A 503 (-3.2A)
HEM  A 504 ( 4.4A)
LSN  A 503 (-4.1A)
LSN  A 503 (-4.6A)
LSN  A 503 (-3.8A)
 0.73A 1og5A-5xxiA:
53.4		 1og5A-5xxiA:
96.80
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)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		6 / 12 ARG A  97
PHE A 100
ALA A 103
ASN A 218
LEU A 366
PRO A 367
 HEM  A 504 (-2.5A)
LSN  A 503 (-4.1A)
LSN  A 503 ( 4.0A)
LSN  A 503 (-3.1A)
HEM  A 504 ( 4.4A)
LSN  A 503 (-4.1A)
 0.71A 1og5A-5xxiA:
53.4		 1og5A-5xxiA:
96.80
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)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		7 / 12 ARG A  97
PHE A 100
LEU A 208
ASN A 218
LEU A 366
PRO A 367
LEU A 388
 HEM  A 504 (-2.5A)
LSN  A 503 (-4.1A)
LSN  A 501 (-3.9A)
LSN  A 503 (-3.1A)
HEM  A 504 ( 4.4A)
LSN  A 503 (-4.1A)
LSN  A 503 (-4.6A)
 0.81A 1og5A-5xxiA:
53.4		 1og5A-5xxiA:
96.80
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)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		7 / 12 ARG A  97
PHE A 100
LEU A 208
THR A 364
LEU A 366
PRO A 367
LEU A 388
 HEM  A 504 (-2.5A)
LSN  A 503 (-4.1A)
LSN  A 501 (-3.9A)
LSN  A 503 (-3.2A)
HEM  A 504 ( 4.4A)
LSN  A 503 (-4.1A)
LSN  A 503 (-4.6A)
 0.84A 1og5A-5xxiA:
53.4		 1og5A-5xxiA:
96.80
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)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		5 / 12 LEU A 102
LEU A 208
ASN A 218
LEU A 388
PHE A 476
 LSN  A 503 (-3.5A)
LSN  A 501 (-3.9A)
LSN  A 503 (-3.1A)
LSN  A 503 (-4.6A)
LSN  A 503 (-3.8A)
 1.09A 1og5A-5xxiA:
53.4		 1og5A-5xxiA:
96.80
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)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		5 / 12 LEU A 102
LEU A 208
THR A 364
LEU A 388
PHE A 476
 LSN  A 503 (-3.5A)
LSN  A 501 (-3.9A)
LSN  A 503 (-3.2A)
LSN  A 503 (-4.6A)
LSN  A 503 (-3.8A)
 0.94A 1og5A-5xxiA:
53.4		 1og5A-5xxiA:
96.80
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)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		5 / 12 PHE A 100
LEU A 102
LEU A 208
ASN A 218
LEU A 388
 LSN  A 503 (-4.1A)
LSN  A 503 (-3.5A)
LSN  A 501 (-3.9A)
LSN  A 503 (-3.1A)
LSN  A 503 (-4.6A)
 1.16A 1og5A-5xxiA:
53.4		 1og5A-5xxiA:
96.80
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)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		5 / 12 PHE A 100
LEU A 102
LEU A 208
THR A 364
LEU A 388
 LSN  A 503 (-4.1A)
LSN  A 503 (-3.5A)
LSN  A 501 (-3.9A)
LSN  A 503 (-3.2A)
LSN  A 503 (-4.6A)
 1.08A 1og5A-5xxiA:
53.4		 1og5A-5xxiA:
96.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		7 / 12 ARG A  97
ASN A 218
THR A 364
LEU A 366
PRO A 367
LEU A 388
PHE A 476
 HEM  A 504 (-2.5A)
LSN  A 503 (-3.1A)
LSN  A 503 (-3.2A)
HEM  A 504 ( 4.4A)
LSN  A 503 (-4.1A)
LSN  A 503 (-4.6A)
LSN  A 503 (-3.8A)
 0.81A 1og5B-5xxiA:
58.9		 1og5B-5xxiA:
96.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		7 / 12 ARG A  97
ILE A  99
PHE A 100
ALA A 103
ASN A 218
LEU A 366
PRO A 367
 HEM  A 504 (-2.5A)
None
LSN  A 503 (-4.1A)
LSN  A 503 ( 4.0A)
LSN  A 503 (-3.1A)
HEM  A 504 ( 4.4A)
LSN  A 503 (-4.1A)
 0.84A 1og5B-5xxiA:
58.9		 1og5B-5xxiA:
96.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		8 / 12 ARG A  97
ILE A  99
PHE A 100
ASN A 218
THR A 364
LEU A 366
PRO A 367
LEU A 388
 HEM  A 504 (-2.5A)
None
LSN  A 503 (-4.1A)
LSN  A 503 (-3.1A)
LSN  A 503 (-3.2A)
HEM  A 504 ( 4.4A)
LSN  A 503 (-4.1A)
LSN  A 503 (-4.6A)
 0.91A 1og5B-5xxiA:
58.9		 1og5B-5xxiA:
96.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		5 / 12 ILE A  99
PHE A 100
LEU A 102
ALA A 103
ASN A 218
 None
LSN  A 503 (-4.1A)
LSN  A 503 (-3.5A)
LSN  A 503 ( 4.0A)
LSN  A 503 (-3.1A)
 1.03A 1og5B-5xxiA:
58.9		 1og5B-5xxiA:
96.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		6 / 12 ILE A  99
PHE A 100
LEU A 102
ASN A 218
THR A 364
LEU A 388
 None
LSN  A 503 (-4.1A)
LSN  A 503 (-3.5A)
LSN  A 503 (-3.1A)
LSN  A 503 (-3.2A)
LSN  A 503 (-4.6A)
 1.12A 1og5B-5xxiA:
58.9		 1og5B-5xxiA:
96.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		5 / 12 LEU A 102
ASN A 218
THR A 364
LEU A 388
PHE A 476
 LSN  A 503 (-3.5A)
LSN  A 503 (-3.1A)
LSN  A 503 (-3.2A)
LSN  A 503 (-4.6A)
LSN  A 503 (-3.8A)
 0.94A 1og5B-5xxiA:
58.9		 1og5B-5xxiA:
96.80
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)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		10 / 12 VAL A 113
ASN A 204
ILE A 205
LEU A 208
VAL A 237
ASP A 293
GLY A 296
ALA A 297
THR A 301
LEU A 366
 HEM  A 504 ( 3.7A)
LSN  A 501 (-3.7A)
None
LSN  A 501 (-3.9A)
LSN  A 501 (-4.5A)
LSN  A 501 (-3.9A)
LSN  A 501 (-3.5A)
LSN  A 501 ( 3.3A)
HEM  A 504 (-4.0A)
HEM  A 504 ( 4.4A)
 0.59A 1r9oA-5xxiA:
54.8		 1r9oA-5xxiA:
100.00
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)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		10 / 12 VAL A 113
ILE A 205
LEU A 208
VAL A 237
MET A 240
ASP A 293
GLY A 296
ALA A 297
THR A 301
LEU A 366
 HEM  A 504 ( 3.7A)
None
LSN  A 501 (-3.9A)
LSN  A 501 (-4.5A)
LSN  A 501 (-3.3A)
LSN  A 501 (-3.9A)
LSN  A 501 (-3.5A)
LSN  A 501 ( 3.3A)
HEM  A 504 (-4.0A)
HEM  A 504 ( 4.4A)
 0.75A 1r9oA-5xxiA:
54.8		 1r9oA-5xxiA:
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.
1VE3_B_SAMB301_0
(HYPOTHETICAL PROTEIN
PH0226)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		5 / 12 ALA A  82
GLY A  79
ILE A 389
SER A 390
ALA A  86
 None
 1.12A 1ve3B-5xxiA:
undetectable		 1ve3B-5xxiA:
20.04
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)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		4 / 7 LEU A 294
PHE A 295
GLY A 298
THR A 302
 HEM  A 504 ( 4.7A)
None
HEM  A 504 (-3.4A)
HEM  A 504 (-4.3A)
 0.39A 2bdmA-5xxiA:
39.4		 2bdmA-5xxiA:
51.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0M_C_KLNC1499_1
(CYTOCHROME P450 3A4)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		4 / 7 LEU A 131
PHE A 263
ILE A 123
GLY A 437
 None
None
None
HEM  A 504 (-3.5A)
 1.02A 2v0mC-5xxiA:
36.7		 2v0mC-5xxiA:
30.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VN0_A_TDZA501_1
(CYTOCHROME P450 2C8)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		5 / 12 ASN A 204
LEU A 208
VAL A 237
GLU A 300
THR A 301
 LSN  A 501 (-3.7A)
LSN  A 501 (-3.9A)
LSN  A 501 (-4.5A)
None
HEM  A 504 (-4.0A)
 1.03A 2vn0A-5xxiA:
51.3		 2vn0A-5xxiA:
78.40
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)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		3 / 3 ALA A 297
THR A 301
CYH A 435
 LSN  A 501 ( 3.3A)
HEM  A 504 (-4.0A)
HEM  A 504 (-2.4A)
 0.75A 3e4eA-5xxiA:
50.5		 3e4eA-5xxiA:
58.75
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)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		3 / 3 ALA A 297
THR A 301
CYH A 435
 LSN  A 501 ( 3.3A)
HEM  A 504 (-4.0A)
HEM  A 504 (-2.4A)
 0.69A 3e4eB-5xxiA:
44.3		 3e4eB-5xxiA:
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.
3HS4_A_AZMA702_1
(CARBONIC ANHYDRASE 2)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		4 / 7 LYS A 322
TYR A 347
GLU A 354
PRO A 409
 None
 1.21A 3hs4A-5xxiA:
undetectable		 3hs4A-5xxiA:
18.22
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.
3HS4_A_AZMA702_1
(CARBONIC ANHYDRASE 2)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		4 / 7 VAL A 323
TYR A 347
GLU A 354
PRO A 409
 None
 1.11A 3hs4A-5xxiA:
undetectable		 3hs4A-5xxiA:
18.22
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.
3MG0_K_BO2K1402_1
(PROTEASOME COMPONENT
PRE2
PROTEASOME COMPONENT
C5)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		5 / 11 THR A 302
ALA A 149
VAL A 177
ALA A 441
GLY A 442
 HEM  A 504 (-4.3A)
None
None
HEM  A 504 (-3.5A)
None
 0.92A 3mg0K-5xxiA:
undetectable
3mg0L-5xxiA:
undetectable		 3mg0K-5xxiA:
20.44
3mg0L-5xxiA:
18.84
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.
3OXV_C_478C200_1
(HIV-1 PROTEASE)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		5 / 9 GLY A 296
VAL A 177
GLY A 437
VAL A 436
ILE A 178
 LSN  A 501 (-3.5A)
None
HEM  A 504 (-3.5A)
HEM  A 504 (-4.1A)
None
 0.79A 3oxvC-5xxiA:
undetectable		 3oxvC-5xxiA:
14.52
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)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		4 / 6 LEU A 208
ALA A 297
THR A 301
LEU A 366
 LSN  A 501 (-3.9A)
LSN  A 501 ( 3.3A)
HEM  A 504 (-4.0A)
HEM  A 504 ( 4.4A)
 0.87A 3t3zA-5xxiA:
50.1		 3t3zA-5xxiA:
58.75
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)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		4 / 6 LEU A 208
ALA A 297
THR A 301
LEU A 366
 LSN  A 501 (-3.9A)
LSN  A 501 ( 3.3A)
HEM  A 504 (-4.0A)
HEM  A 504 ( 4.4A)
 0.88A 3t3zB-5xxiA:
43.6		 3t3zB-5xxiA:
58.75
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)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		4 / 6 LEU A 208
ALA A 297
THR A 301
LEU A 366
 LSN  A 501 (-3.9A)
LSN  A 501 ( 3.3A)
HEM  A 504 (-4.0A)
HEM  A 504 ( 4.4A)
 0.88A 3t3zD-5xxiA:
50.0		 3t3zD-5xxiA:
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.
4B9Z_A_ACRA1818_2
(ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		4 / 5 PHE A 476
PHE A  69
TRP A 212
GLN A 214
 LSN  A 503 (-3.8A)
LSN  A 503 ( 4.8A)
None
LSN  A 503 ( 3.0A)
 1.15A 4b9zA-5xxiA:
0.0		 4b9zA-5xxiA:
20.67
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.
4BUP_B_SAMB500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		5 / 12 TYR A  80
GLY A  79
ALA A  82
SER A 429
GLU A 400
 None
None
None
HEM  A 504 (-2.8A)
None
 1.48A 4bupB-5xxiA:
1.7		 4bupB-5xxiA:
19.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EJG_B_NCTB501_1
(CYTOCHROME P450 2A13)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		4 / 8 PHE A 114
ALA A 297
LEU A 362
LEU A 366
 LSN  A 503 (-3.8A)
LSN  A 501 ( 3.3A)
LSN  A 503 ( 3.7A)
HEM  A 504 ( 4.4A)
 0.88A 4ejgB-5xxiA:
49.2		 4ejgB-5xxiA:
50.32
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)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		4 / 7 PHE A 114
ALA A 297
LEU A 362
LEU A 366
 LSN  A 503 (-3.8A)
LSN  A 501 ( 3.3A)
LSN  A 503 ( 3.7A)
HEM  A 504 ( 4.4A)
 0.81A 4ejgC-5xxiA:
49.5		 4ejgC-5xxiA:
50.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEX_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		4 / 7 ASP A 293
ASN A 107
GLU A 104
GLU A 285
 LSN  A 501 (-3.9A)
None
None
None
 0.89A 4fexB-5xxiA:
undetectable		 4fexB-5xxiA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IFX_A_ACTA404_0
(THIAMINE
BIOSYNTHESIS
LIPOPROTEIN APBE)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		4 / 5 SER A 460
LYS A 459
LEU A 467
ASP A 463
 None
 1.37A 4ifxA-5xxiA:
undetectable		 4ifxA-5xxiA:
21.00
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.
4IG1_A_ACTA504_0
(FAD:PROTEIN FMN
TRANSFERASE)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		4 / 5 SER A 460
LYS A 459
LEU A 467
ASP A 463
 None
 1.39A 4ig1A-5xxiA:
undetectable		 4ig1A-5xxiA:
21.00
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.
4P3Q_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		4 / 5 ASP A 360
LEU A 361
ARG A 307
THR A 392
 None
 1.47A 4p3qA-5xxiA:
undetectable		 4p3qA-5xxiA:
16.70
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.
4QZT_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 2)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		3 / 3 PHE A 482
THR A 159
LEU A 461
 None
 0.75A 4qztA-5xxiA:
undetectable		 4qztA-5xxiA:
14.66
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.
4X3M_B_ADNB301_1
(RNA 2'-O RIBOSE
METHYLTRANSFERASE)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		5 / 9 LEU A 445
GLY A 442
ILE A 359
LEU A 361
THR A 305
 None
None
None
None
HEM  A 504 (-3.9A)
 0.85A 4x3mB-5xxiA:
undetectable		 4x3mB-5xxiA:
18.53
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.
4X3M_B_ADNB301_1
(RNA 2'-O RIBOSE
METHYLTRANSFERASE)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		5 / 9 PRO A 427
LEU A 445
GLY A 442
LEU A 361
THR A 305
 None
None
None
None
HEM  A 504 (-3.9A)
 1.20A 4x3mB-5xxiA:
undetectable		 4x3mB-5xxiA:
18.53
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.
4XDT_A_ACTA406_0
(FAD:PROTEIN FMN
TRANSFERASE)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		4 / 5 SER A 460
LYS A 459
LEU A 467
ASP A 463
 None
 1.38A 4xdtA-5xxiA:
undetectable		 4xdtA-5xxiA:
21.00
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.
4ZE1_A_X2NA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		5 / 12 GLY A  98
LEU A  54
PHE A  65
GLY A  62
THR A 386
 None
 1.29A 4ze1A-5xxiA:
30.4		 4ze1A-5xxiA:
25.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEN_B_VDYB201_1
(CDL2.2)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		5 / 10 PRO A 382
LEU A  29
VAL A  64
ILE A 387
LEU A  77
 None
 1.17A 5ienB-5xxiA:
undetectable		 5ienB-5xxiA:
14.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_A_PCFA1805_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		4 / 7 PHE A 446
VAL A 352
ILE A 452
THR A 348
 None
 0.84A 5vkqA-5xxiA:
undetectable
5vkqD-5xxiA:
undetectable		 5vkqA-5xxiA:
13.72
5vkqD-5xxiA:
13.72
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)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		12 / 12 ALA A 106
ARG A 108
VAL A 113
PHE A 114
ASN A 204
LEU A 208
VAL A 237
MET A 240
GLY A 296
ALA A 297
LEU A 362
LEU A 366
 LSN  A 501 ( 3.9A)
LSN  A 501 (-3.2A)
HEM  A 504 ( 3.7A)
LSN  A 503 (-3.8A)
LSN  A 501 (-3.7A)
LSN  A 501 (-3.9A)
LSN  A 501 (-4.5A)
LSN  A 501 (-3.3A)
LSN  A 501 (-3.5A)
LSN  A 501 ( 3.3A)
LSN  A 503 ( 3.7A)
HEM  A 504 ( 4.4A)
 0.20A 5x23A-5xxiA:
63.7		 5x23A-5xxiA:
99.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X23_A_LSNA503_1
(CYTOCHROME P450 2C9)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		5 / 5 PRO A 227
GLY A 228
THR A 229
ASN A 231
LYS A 232
 LSN  A 502 (-3.7A)
LSN  A 502 (-3.4A)
LSN  A 502 (-3.9A)
LSN  A 502 (-4.3A)
LSN  A 502 (-2.9A)
 0.44A 5x23A-5xxiA:
63.7		 5x23A-5xxiA:
99.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X23_A_LSNA504_1
(CYTOCHROME P450 2C9)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		8 / 8 PHE A  69
ILE A  74
PHE A 100
ASN A 218
PRO A 363
THR A 364
PRO A 367
PHE A 476
 LSN  A 503 ( 4.8A)
LSN  A 503 (-4.7A)
LSN  A 503 (-4.1A)
LSN  A 503 (-3.1A)
LSN  A 503 (-3.6A)
LSN  A 503 (-3.2A)
LSN  A 503 (-4.1A)
LSN  A 503 (-3.8A)
 0.36A 5x23A-5xxiA:
63.7		 5x23A-5xxiA:
99.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X24_A_LSNA502_1
(CYTOCHROME P450 2C9)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		12 / 12 ALA A 106
ARG A 108
PHE A 114
ASN A 204
LEU A 233
VAL A 237
MET A 240
VAL A 292
ASP A 293
GLY A 296
THR A 301
LEU A 366
 LSN  A 501 ( 3.9A)
LSN  A 501 (-3.2A)
LSN  A 503 (-3.8A)
LSN  A 501 (-3.7A)
LSN  A 501 ( 4.0A)
LSN  A 501 (-4.5A)
LSN  A 501 (-3.3A)
LSN  A 501 (-4.9A)
LSN  A 501 (-3.9A)
LSN  A 501 (-3.5A)
HEM  A 504 (-4.0A)
HEM  A 504 ( 4.4A)
 0.30A 5x24A-5xxiA:
62.5		 5x24A-5xxiA:
99.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X24_A_LSNA503_1
(CYTOCHROME P450 2C9)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		6 / 6 PHE A 226
PRO A 227
GLY A 228
THR A 229
ASN A 231
LYS A 232
 LSN  A 502 (-4.7A)
LSN  A 502 (-3.7A)
LSN  A 502 (-3.4A)
LSN  A 502 (-3.9A)
LSN  A 502 (-4.3A)
LSN  A 502 (-2.9A)
 0.39A 5x24A-5xxiA:
62.5		 5x24A-5xxiA:
99.78
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.
6EU9_B_REAB601_1
(RETINOIC ACID
RECEPTOR)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		5 / 10 LEU A 234
LEU A 201
GLY A 109
GLY A 296
VAL A 292
 None
LSN  A 501 (-4.1A)
None
LSN  A 501 (-3.5A)
LSN  A 501 (-4.9A)
 0.97A 6eu9B-5xxiA:
1.9		 6eu9B-5xxiA:
10.00
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.
6EW0_B_TA1B501_2
(TUBULIN BETA CHAIN)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		4 / 5 LEU A 310
THR A 450
PRO A 409
ARG A 357
 None
 1.31A 6ew0B-5xxiA:
undetectable		 6ew0B-5xxiA:
9.27
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.
6EW0_D_TA1D501_2
(TUBULIN BETA CHAIN)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		4 / 5 LEU A 310
THR A 450
PRO A 409
ARG A 357
 None
 1.31A 6ew0D-5xxiA:
undetectable		 6ew0D-5xxiA:
9.27
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.
6EW0_H_TA1H501_2
(TUBULIN BETA CHAIN)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		4 / 5 LEU A 310
THR A 450
PRO A 409
ARG A 357
 None
 1.31A 6ew0H-5xxiA:
undetectable		 6ew0H-5xxiA:
9.27
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.
6EW0_I_TA1I501_2
(TUBULIN BETA CHAIN)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		4 / 5 LEU A 310
THR A 450
PRO A 409
ARG A 357
 None
 1.31A 6ew0I-5xxiA:
undetectable		 6ew0I-5xxiA:
9.27
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.
6G9B_A_IXXA609_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN
ENVELOPE
GLYCOPROTEIN)		 5xxi CYTOCHROME P450 2C9
(Homo
sapiens) 		4 / 7 LEU A 453
LEU A 310
LEU A 485
LEU A 152
 None
 0.71A 6g9bA-5xxiA:
undetectable
6g9bB-5xxiA:
0.0		 6g9bA-5xxiA:
9.72
6g9bB-5xxiA:
11.11