SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'VNT'


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.
2V0Z_O_C41O1327_2
(RENIN)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		4 / 8 SER A 296
THR A 295
PRO A 355
THR A 178
 HEM  A 501 (-3.2A)
VNT  A 502 ( 3.2A)
HEM  A 501 ( 4.8A)
None
 1.12A 2v0zO-4g3jA:
undetectable		 2v0zO-4g3jA:
21.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WUZ_A_TPFA1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE
, PUTATIVE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		6 / 10 ALA A 288
ALA A 291
THR A 295
LEU A 356
MET A 460
VAL A 461
 HEM  A 501 (-4.4A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
VNT  A 502 ( 4.9A)
 1.15A 2wuzA-4g3jA:
59.1		 2wuzA-4g3jA:
82.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WUZ_A_TPFA1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE
, PUTATIVE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		10 / 10 TYR A 103
MET A 106
PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
MET A 460
VAL A 461
 VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
VNT  A 502 ( 4.9A)
 0.62A 2wuzA-4g3jA:
59.1		 2wuzA-4g3jA:
82.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WUZ_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE
, PUTATIVE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		6 / 10 ALA A 288
ALA A 291
THR A 295
LEU A 356
MET A 460
VAL A 461
 HEM  A 501 (-4.4A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
VNT  A 502 ( 4.9A)
 1.18A 2wuzB-4g3jA:
59.0		 2wuzB-4g3jA:
82.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WUZ_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE
, PUTATIVE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		10 / 10 TYR A 103
MET A 106
PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
MET A 460
VAL A 461
 VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
VNT  A 502 ( 4.9A)
 0.63A 2wuzB-4g3jA:
59.0		 2wuzB-4g3jA:
82.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WV2_A_TPFA1_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		9 / 9 TYR A 103
MET A 106
PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
MET A 460
 VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
 0.64A 2wv2A-4g3jA:
59.3		 2wv2A-4g3jA:
96.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WX2_A_TPFA1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		6 / 7 MET A 106
PHE A 110
TYR A 103
ALA A 287
ALA A 291
THR A 295
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
 0.94A 2wx2A-4g3jA:
55.0		 2wx2A-4g3jA:
82.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WX2_A_TPFA1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		7 / 7 MET A 106
PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 0.74A 2wx2A-4g3jA:
55.0		 2wx2A-4g3jA:
82.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WX2_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		6 / 8 MET A 106
PHE A 110
ALA A 287
ALA A 291
THR A 295
LEU A 356
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 0.84A 2wx2B-4g3jA:
52.6		 2wx2B-4g3jA:
82.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WX2_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		6 / 8 PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
 VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 0.66A 2wx2B-4g3jA:
52.6		 2wx2B-4g3jA:
82.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WX2_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		4 / 8 TYR A 103
ALA A 287
ALA A 291
THR A 295
 VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
 0.66A 2wx2B-4g3jA:
52.6		 2wx2B-4g3jA:
82.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WX2_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		4 / 8 TYR A 103
ALA A 288
THR A 295
LEU A 356
 VNT  A 502 ( 4.8A)
HEM  A 501 (-4.4A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 1.04A 2wx2B-4g3jA:
52.6		 2wx2B-4g3jA:
82.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WX2_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		4 / 8 TYR A 103
TYR A 116
THR A 295
LEU A 356
 VNT  A 502 ( 4.8A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 1.03A 2wx2B-4g3jA:
52.6		 2wx2B-4g3jA:
82.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X2N_A_X2NA1480_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		11 / 12 PHE A 105
MET A 106
PHE A 110
TYR A 116
PRO A 210
ALA A 211
ALA A 287
ALA A 291
THR A 295
MET A 360
MET A 460
 VNT  A 502 (-4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 4.8A)
None
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 (-4.5A)
VNT  A 502 (-4.9A)
 0.77A 2x2nA-4g3jA:
60.1		 2x2nA-4g3jA:
95.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X2N_A_X2NA1480_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		6 / 12 PHE A 105
MET A 106
PRO A 210
ALA A 211
ALA A 287
MET A 360
 VNT  A 502 (-4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 ( 4.8A)
None
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.5A)
 1.33A 2x2nA-4g3jA:
60.1		 2x2nA-4g3jA:
95.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X2N_A_X2NA1480_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		5 / 12 PHE A 110
TYR A 103
ALA A 287
ALA A 291
THR A 295
 VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
 0.73A 2x2nA-4g3jA:
60.1		 2x2nA-4g3jA:
95.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X2N_A_X2NA1480_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		7 / 12 TYR A 103
PHE A 105
TYR A 116
PRO A 210
ALA A 211
THR A 295
MET A 460
 VNT  A 502 ( 4.8A)
VNT  A 502 (-4.8A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 4.8A)
None
VNT  A 502 ( 3.2A)
VNT  A 502 (-4.9A)
 0.98A 2x2nA-4g3jA:
60.1		 2x2nA-4g3jA:
95.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X2N_B_X2NB1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		6 / 12 MET A 106
PHE A 110
TYR A 103
ALA A 287
ALA A 291
THR A 295
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
 0.99A 2x2nB-4g3jA:
59.7		 2x2nB-4g3jA:
95.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X2N_B_X2NB1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		12 / 12 PHE A 105
MET A 106
PHE A 110
TYR A 116
PRO A 210
ALA A 211
ALA A 287
ALA A 291
THR A 295
LEU A 356
MET A 360
MET A 460
 VNT  A 502 (-4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 4.8A)
None
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.5A)
VNT  A 502 (-4.9A)
 0.84A 2x2nB-4g3jA:
59.7		 2x2nB-4g3jA:
95.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X2N_B_X2NB1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		6 / 12 PHE A 105
MET A 106
PRO A 210
ALA A 211
ALA A 287
MET A 360
 VNT  A 502 (-4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 ( 4.8A)
None
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.5A)
 1.34A 2x2nB-4g3jA:
59.7		 2x2nB-4g3jA:
95.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X2N_B_X2NB1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		6 / 12 PRO A 210
ALA A 212
ALA A 291
THR A 295
LEU A 356
MET A 360
 VNT  A 502 ( 4.8A)
None
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.5A)
 1.45A 2x2nB-4g3jA:
59.7		 2x2nB-4g3jA:
95.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X2N_C_X2NC1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		6 / 12 MET A 106
PHE A 110
TYR A 103
ALA A 287
ALA A 291
THR A 295
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
 0.91A 2x2nC-4g3jA:
60.4		 2x2nC-4g3jA:
95.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X2N_C_X2NC1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		12 / 12 PHE A 105
MET A 106
PHE A 110
TYR A 116
PRO A 210
VAL A 213
ALA A 287
ALA A 291
THR A 295
LEU A 356
MET A 360
MET A 460
 VNT  A 502 (-4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 4.8A)
None
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.5A)
VNT  A 502 (-4.9A)
 0.76A 2x2nC-4g3jA:
60.4		 2x2nC-4g3jA:
95.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X2N_C_X2NC1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		6 / 12 PHE A 105
MET A 106
PRO A 210
VAL A 213
ALA A 287
MET A 360
 VNT  A 502 (-4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 ( 4.8A)
None
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.5A)
 1.37A 2x2nC-4g3jA:
60.4		 2x2nC-4g3jA:
95.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X2N_D_X2ND1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		11 / 12 ILE A  46
PHE A 105
MET A 106
PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
MET A 360
MET A 460
 None
VNT  A 502 (-4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.5A)
VNT  A 502 (-4.9A)
 0.71A 2x2nD-4g3jA:
59.9		 2x2nD-4g3jA:
95.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X2N_D_X2ND1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		6 / 12 MET A 106
PHE A 110
TYR A 103
ALA A 287
ALA A 291
THR A 295
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
 0.96A 2x2nD-4g3jA:
59.9		 2x2nD-4g3jA:
95.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X2N_D_X2ND1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		6 / 12 TYR A 103
PHE A 105
MET A 106
THR A 295
LEU A 356
MET A 460
 VNT  A 502 ( 4.8A)
VNT  A 502 (-4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
 0.82A 2x2nD-4g3jA:
59.9		 2x2nD-4g3jA:
95.89
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.
3E4E_A_4PZA501_1
(CYTOCHROME P450 2E1)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		3 / 3 ALA A 291
THR A 295
CYH A 422
 HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
HEM  A 501 (-2.3A)
 0.45A 3e4eA-4g3jA:
31.6		 3e4eA-4g3jA:
25.10
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.
3E4E_B_4PZB501_1
(CYTOCHROME P450 2E1)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		3 / 3 ALA A 291
THR A 295
CYH A 422
 HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
HEM  A 501 (-2.3A)
 0.36A 3e4eB-4g3jA:
31.6		 3e4eB-4g3jA:
25.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3KHM_A_TPFA501_1
(STEROL 14
ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		7 / 8 MET A 106
PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 0.57A 3khmA-4g3jA:
55.7		 3khmA-4g3jA:
85.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3KHM_A_TPFA501_1
(STEROL 14
ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		4 / 8 PHE A 110
TYR A 103
ALA A 287
ALA A 291
 VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
 0.68A 3khmA-4g3jA:
55.7		 3khmA-4g3jA:
85.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3KHM_A_TPFA501_1
(STEROL 14
ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		4 / 8 TYR A 103
ALA A 288
THR A 295
LEU A 356
 VNT  A 502 ( 4.8A)
HEM  A 501 (-4.4A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 0.99A 3khmA-4g3jA:
55.7		 3khmA-4g3jA:
85.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3KHM_A_TPFA501_1
(STEROL 14
ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		4 / 8 TYR A 103
MET A 106
THR A 295
LEU A 356
 VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 0.93A 3khmA-4g3jA:
55.7		 3khmA-4g3jA:
85.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3L4D_A_TPFA490_1
(STEROL 14-ALPHA
DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		5 / 8 PHE A 110
TYR A 103
ALA A 287
ALA A 291
THR A 295
 VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
 0.82A 3l4dA-4g3jA:
58.3		 3l4dA-4g3jA:
78.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3L4D_A_TPFA490_1
(STEROL 14-ALPHA
DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		7 / 8 PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
MET A 460
 VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
 0.48A 3l4dA-4g3jA:
58.3		 3l4dA-4g3jA:
78.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3L4D_A_TPFA490_1
(STEROL 14-ALPHA
DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		5 / 8 TYR A 103
ALA A 288
ALA A 291
THR A 295
LEU A 356
 VNT  A 502 ( 4.8A)
HEM  A 501 (-4.4A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 1.23A 3l4dA-4g3jA:
58.3		 3l4dA-4g3jA:
78.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3L4D_A_TPFA490_1
(STEROL 14-ALPHA
DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		7 / 8 TYR A 103
PHE A 110
TYR A 116
ALA A 291
THR A 295
LEU A 356
MET A 460
 VNT  A 502 ( 4.8A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
 0.80A 3l4dA-4g3jA:
58.3		 3l4dA-4g3jA:
78.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3L4D_B_TPFB490_1
(STEROL 14-ALPHA
DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		6 / 9 MET A 106
PHE A 110
TYR A 103
ALA A 287
ALA A 291
THR A 295
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
 0.92A 3l4dB-4g3jA:
57.7		 3l4dB-4g3jA:
78.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3L4D_B_TPFB490_1
(STEROL 14-ALPHA
DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		8 / 9 MET A 106
PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
MET A 460
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
 0.44A 3l4dB-4g3jA:
57.7		 3l4dB-4g3jA:
78.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3L4D_B_TPFB490_1
(STEROL 14-ALPHA
DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		5 / 9 TYR A 103
ALA A 288
ALA A 291
THR A 295
LEU A 356
 VNT  A 502 ( 4.8A)
HEM  A 501 (-4.4A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 1.33A 3l4dB-4g3jA:
57.7		 3l4dB-4g3jA:
78.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3L4D_B_TPFB490_1
(STEROL 14-ALPHA
DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		7 / 9 TYR A 103
MET A 106
TYR A 116
ALA A 291
THR A 295
LEU A 356
MET A 460
 VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 4.5A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
 0.79A 3l4dB-4g3jA:
57.7		 3l4dB-4g3jA:
78.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3L4D_C_TPFC490_1
(STEROL 14-ALPHA
DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		6 / 9 MET A 106
PHE A 110
TYR A 103
ALA A 287
ALA A 291
THR A 295
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
 0.84A 3l4dC-4g3jA:
57.8		 3l4dC-4g3jA:
78.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3L4D_C_TPFC490_1
(STEROL 14-ALPHA
DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		8 / 9 MET A 106
PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
MET A 460
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
 0.54A 3l4dC-4g3jA:
57.8		 3l4dC-4g3jA:
78.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3L4D_C_TPFC490_1
(STEROL 14-ALPHA
DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		6 / 9 TYR A 103
MET A 106
TYR A 116
THR A 295
LEU A 356
MET A 460
 VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
 0.92A 3l4dC-4g3jA:
57.8		 3l4dC-4g3jA:
78.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3L4D_D_TPFD490_1
(STEROL 14-ALPHA
DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		7 / 8 MET A 106
PHE A 110
ALA A 287
ALA A 291
THR A 295
LEU A 356
MET A 460
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
 0.42A 3l4dD-4g3jA:
57.6		 3l4dD-4g3jA:
78.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3L4D_D_TPFD490_1
(STEROL 14-ALPHA
DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		7 / 8 MET A 106
PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 0.43A 3l4dD-4g3jA:
57.6		 3l4dD-4g3jA:
78.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3L4D_D_TPFD490_1
(STEROL 14-ALPHA
DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		4 / 8 PHE A 110
TYR A 103
ALA A 287
ALA A 291
 VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
 0.47A 3l4dD-4g3jA:
57.6		 3l4dD-4g3jA:
78.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		5 / 12 PHE A 110
TYR A 116
ALA A 291
THR A 295
MET A 360
 VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 (-4.5A)
 0.89A 3ld6A-4g3jA:
45.7		 3ld6A-4g3jA:
35.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		5 / 12 PHE A 110
TYR A 116
ALA A 291
THR A 295
MET A 360
 VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 (-4.5A)
 0.86A 3ld6B-4g3jA:
45.9		 3ld6B-4g3jA:
35.47
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.
3T3S_C_9PLC1_1
(CYTOCHROME P450 2A13)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		4 / 7 PHE A 290
ALA A 291
THR A 295
LEU A 356
 VNT  A 502 (-4.4A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 0.51A 3t3sC-4g3jA:
31.2		 3t3sC-4g3jA:
26.96
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.
3T3Z_A_9PLA501_1
(CYTOCHROME P450 2E1)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		4 / 6 PHE A 110
LEU A 208
PHE A 290
ALA A 291
 VNT  A 502 (-4.4A)
None
VNT  A 502 (-4.4A)
HEM  A 501 ( 3.5A)
 0.98A 3t3zA-4g3jA:
31.1		 3t3zA-4g3jA:
25.10
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.
3T3Z_C_9PLC501_1
(CYTOCHROME P450 2E1)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		4 / 5 PHE A 110
PHE A 290
ALA A 291
THR A 295
 VNT  A 502 (-4.4A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
 1.19A 3t3zC-4g3jA:
31.0		 3t3zC-4g3jA:
25.10
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.
3T3Z_D_9PLD501_1
(CYTOCHROME P450 2E1)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		4 / 6 PHE A 110
LEU A 208
PHE A 290
ALA A 291
 VNT  A 502 (-4.4A)
None
VNT  A 502 (-4.4A)
HEM  A 501 ( 3.5A)
 1.00A 3t3zD-4g3jA:
30.9		 3t3zD-4g3jA:
25.10
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.
4EJG_B_NCTB501_1
(CYTOCHROME P450 2A13)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		4 / 8 PHE A 290
ALA A 291
THR A 295
LEU A 356
 VNT  A 502 (-4.4A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 0.64A 4ejgB-4g3jA:
31.4		 4ejgB-4g3jA:
26.96
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.
4WMZ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		5 / 9 PHE A 110
TYR A 116
THR A 295
LEU A 356
MET A 460
 VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
 1.33A 4wmzA-4g3jA:
39.7		 4wmzA-4g3jA:
29.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESF_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		4 / 8 PHE A 110
TYR A 116
THR A 295
LEU A 356
 VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 0.93A 5esfA-4g3jA:
40.0		 5esfA-4g3jA:
29.62
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.
5SYJ_A_NIZA810_1
(CATALASE-PEROXIDASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		4 / 6 ARG A 398
HIS A 389
LEU A 357
PRO A  52
 None
None
VNT  A 502 ( 4.9A)
None
 1.20A 5syjA-4g3jA:
undetectable		 5syjA-4g3jA:
20.41
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.
5SYJ_B_NIZB810_1
(CATALASE-PEROXIDASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		4 / 6 ARG A 398
HIS A 389
LEU A 357
PRO A  52
 None
None
VNT  A 502 ( 4.9A)
None
 1.21A 5syjB-4g3jA:
undetectable		 5syjB-4g3jA:
20.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TL8_A_X2NA502_1
(PROTEIN CYP51)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		9 / 12 PHE A  48
PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
MET A 358
MET A 360
 VNT  A 502 (-4.2A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
VNT  A 502 (-4.5A)
 1.26A 5tl8A-4g3jA:
29.2		 5tl8A-4g3jA:
36.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TL8_A_X2NA502_1
(PROTEIN CYP51)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		8 / 12 PHE A 105
PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
MET A 360
 VNT  A 502 (-4.8A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.5A)
 0.90A 5tl8A-4g3jA:
29.2		 5tl8A-4g3jA:
36.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TL8_A_X2NA502_1
(PROTEIN CYP51)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		6 / 12 PHE A 110
TYR A 103
ALA A 287
ALA A 291
THR A 295
LEU A 356
 VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 1.05A 5tl8A-4g3jA:
29.2		 5tl8A-4g3jA:
36.32
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.
5V5Z_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		5 / 12 TYR A 103
PHE A 290
PHE A 105
THR A 295
LEU A 356
 VNT  A 502 ( 4.8A)
VNT  A 502 (-4.4A)
VNT  A 502 (-4.8A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 1.30A 5v5zA-4g3jA:
40.2		 5v5zA-4g3jA:
29.22
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.
5V5Z_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		6 / 12 TYR A 103
TYR A 116
PHE A 105
THR A 295
LEU A 356
MET A 460
 VNT  A 502 ( 4.8A)
HEM  A 501 ( 4.5A)
VNT  A 502 (-4.8A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
 1.33A 5v5zA-4g3jA:
40.2		 5v5zA-4g3jA:
29.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AY4_A_TPFA506_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		5 / 10 MET A 106
PHE A 110
TYR A 103
ALA A 115
CYH A 422
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 4.7A)
HEM  A 501 (-2.3A)
 1.45A 6ay4A-4g3jA:
46.2		 6ay4A-4g3jA:
36.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AY4_A_TPFA506_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		9 / 10 MET A 106
PHE A 110
TYR A 103
ALA A 287
PHE A 290
ALA A 291
THR A 295
LEU A 356
CYH A 422
 VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
HEM  A 501 (-2.3A)
 0.95A 6ay4A-4g3jA:
46.2		 6ay4A-4g3jA:
36.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AY4_A_TPFA506_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		7 / 10 PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
CYH A 422
 VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
HEM  A 501 (-2.3A)
 0.92A 6ay4A-4g3jA:
46.2		 6ay4A-4g3jA:
36.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AY4_A_TPFA506_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		6 / 10 TYR A 103
MET A 106
PHE A 290
THR A 295
LEU A 356
CYH A 422
 VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
HEM  A 501 (-2.3A)
 1.10A 6ay4A-4g3jA:
46.2		 6ay4A-4g3jA:
36.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AY4_A_TPFA506_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		5 / 10 TYR A 103
TYR A 116
THR A 295
LEU A 356
CYH A 422
 VNT  A 502 ( 4.8A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
HEM  A 501 (-2.3A)
 1.24A 6ay4A-4g3jA:
46.2		 6ay4A-4g3jA:
36.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AY6_A_VORA501_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		6 / 9 PHE A 110
TYR A 103
ALA A 287
ALA A 291
THR A 295
CYH A 422
 VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
HEM  A 501 (-2.3A)
 1.18A 6ay6A-4g3jA:
46.4		 6ay6A-4g3jA:
36.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AY6_A_VORA501_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		7 / 9 PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
CYH A 422
 VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
HEM  A 501 (-2.3A)
 0.73A 6ay6A-4g3jA:
46.4		 6ay6A-4g3jA:
36.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AY6_A_VORA501_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		5 / 9 TYR A 103
TYR A 116
THR A 295
LEU A 356
CYH A 422
 VNT  A 502 ( 4.8A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
HEM  A 501 (-2.3A)
 0.99A 6ay6A-4g3jA:
46.4		 6ay6A-4g3jA:
36.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		8 / 12 PHE A 105
PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
MET A 360
 VNT  A 502 (-4.8A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.5A)
 0.88A 6aybA-4g3jA:
46.3		 6aybA-4g3jA:
36.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		8 / 12 PHE A 105
PHE A 110
TYR A 116
PHE A 214
ALA A 287
ALA A 291
THR A 295
LEU A 356
 VNT  A 502 (-4.8A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
None
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 1.18A 6aybA-4g3jA:
46.3		 6aybA-4g3jA:
36.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		6 / 12 PHE A 110
TYR A 103
ALA A 287
ALA A 291
THR A 295
LEU A 356
 VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 1.04A 6aybA-4g3jA:
46.3		 6aybA-4g3jA:
36.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		5 / 12 PHE A 110
TYR A 116
ALA A 287
ALA A 291
LEU A 208
 VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
None
 1.16A 6aybA-4g3jA:
46.3		 6aybA-4g3jA:
36.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		6 / 12 TYR A 103
PHE A 105
TYR A 116
PHE A 214
THR A 295
LEU A 356
 VNT  A 502 ( 4.8A)
VNT  A 502 (-4.8A)
HEM  A 501 ( 4.5A)
None
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 1.39A 6aybA-4g3jA:
46.3		 6aybA-4g3jA:
36.32
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.
6AYC_A_1YNA502_1
(PROTEIN CYP51)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		9 / 12 PHE A 105
MET A 106
PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
MET A 360
 VNT  A 502 (-4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.5A)
 0.86A 6aycA-4g3jA:
46.8		 6aycA-4g3jA:
10.87
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.
6AYC_A_1YNA502_1
(PROTEIN CYP51)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		6 / 12 PHE A 110
TYR A 103
ALA A 287
ALA A 291
THR A 295
LEU A 356
 VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 1.05A 6aycA-4g3jA:
46.8		 6aycA-4g3jA:
10.87
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.
6AYC_A_1YNA502_1
(PROTEIN CYP51)		 4g3j STEROL
14-ALPHA-DEMETHYLASE
(Trypanosoma
brucei) 		5 / 12 TYR A 103
PHE A 105
TYR A 116
THR A 295
LEU A 356
 VNT  A 502 ( 4.8A)
VNT  A 502 (-4.8A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
 1.15A 6aycA-4g3jA:
46.8		 6aycA-4g3jA:
10.87