SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3l4d'

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.
1EA1_A_TPFA470_1
(CYTOCHROME P450
51-LIKE RV0764C)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		5 / 8 TYR A 102
MET A 105
PHE A 289
THR A 294
LEU A 355
 HEM  A 481 (-4.7A)
TPF  A 490 ( 4.0A)
TPF  A 490 (-4.3A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
 0.91A 1ea1A-3l4dA:
37.1		 1ea1A-3l4dA:
32.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EA1_A_TPFA470_1
(CYTOCHROME P450
51-LIKE RV0764C)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		4 / 8 TYR A 102
PHE A 104
MET A 105
PHE A 289
 HEM  A 481 (-4.7A)
None
TPF  A 490 ( 4.0A)
TPF  A 490 (-4.3A)
 0.92A 1ea1A-3l4dA:
37.1		 1ea1A-3l4dA:
32.70
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.
1Q23_E_FUAE706_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		4 / 4 ALA A 392
VAL A 408
ALA A 411
HIS A 387
 None
 1.21A 1q23F-3l4dA:
undetectable		 1q23F-3l4dA:
20.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1X8V_A_ESLA471_1
(CYTOCHROME P450 51)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		4 / 8 PHE A 104
PHE A 109
ALA A 290
LEU A 355
 None
TPF  A 490 (-4.5A)
TPF  A 490 ( 3.4A)
TPF  A 490 (-4.4A)
 1.18A 1x8vA-3l4dA:
38.6		 1x8vA-3l4dA:
32.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1X8V_A_ESLA471_1
(CYTOCHROME P450 51)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		4 / 8 TYR A 102
PHE A 104
ALA A 290
LEU A 355
 HEM  A 481 (-4.7A)
None
TPF  A 490 ( 3.4A)
TPF  A 490 (-4.4A)
 0.85A 1x8vA-3l4dA:
38.6		 1x8vA-3l4dA:
32.63
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.
2QX4_B_ML1B233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		4 / 7 GLY A 291
THR A 294
GLN A 431
PHE A 138
 HEM  A 481 ( 3.7A)
TPF  A 490 ( 3.5A)
None
None
 1.11A 2qx4A-3l4dA:
undetectable
2qx4B-3l4dA:
undetectable		 2qx4A-3l4dA:
18.87
2qx4B-3l4dA:
18.87
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.
2UVN_A_ECNA1409_1
(CYTOCHROME P450 130)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		5 / 12 LEU A 384
PRO A 353
PRO A 354
GLY A 414
GLY A 416
 None
None
HEM  A 481 ( 4.6A)
None
HEM  A 481 (-3.7A)
 1.19A 2uvnA-3l4dA:
26.6		 2uvnA-3l4dA:
22.50
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		6 / 10 ALA A 287
ALA A 290
THR A 294
LEU A 355
MET A 459
VAL A 460
 HEM  A 481 (-3.3A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
TPF  A 490 (-4.7A)
None
 1.13A 2wuzA-3l4dA:
57.3		 2wuzA-3l4dA:
74.46
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		9 / 10 MET A 105
PHE A 109
TYR A 115
ALA A 286
ALA A 290
THR A 294
LEU A 355
MET A 459
VAL A 460
 TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
TPF  A 490 (-4.7A)
None
 0.64A 2wuzA-3l4dA:
57.3		 2wuzA-3l4dA:
74.46
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		9 / 10 TYR A 102
MET A 105
TYR A 115
ALA A 286
ALA A 290
THR A 294
LEU A 355
MET A 459
VAL A 460
 HEM  A 481 (-4.7A)
TPF  A 490 ( 4.0A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
TPF  A 490 (-4.7A)
None
 0.85A 2wuzA-3l4dA:
57.3		 2wuzA-3l4dA:
74.46
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		5 / 10 TYR A 115
ALA A 287
ALA A 290
THR A 294
MET A 459
 HEM  A 481 ( 4.9A)
HEM  A 481 (-3.3A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.7A)
 1.39A 2wuzA-3l4dA:
57.3		 2wuzA-3l4dA:
74.46
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		7 / 10 TYR A 115
MET A 105
PHE A 109
ALA A 286
ALA A 290
THR A 294
MET A 459
 HEM  A 481 ( 4.9A)
TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.7A)
 1.14A 2wuzA-3l4dA:
57.3		 2wuzA-3l4dA:
74.46
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		6 / 10 ALA A 287
ALA A 290
THR A 294
LEU A 355
MET A 459
VAL A 460
 HEM  A 481 (-3.3A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
TPF  A 490 (-4.7A)
None
 1.16A 2wuzB-3l4dA:
57.1		 2wuzB-3l4dA:
74.46
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		9 / 10 MET A 105
PHE A 109
TYR A 115
ALA A 286
ALA A 290
THR A 294
LEU A 355
MET A 459
VAL A 460
 TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
TPF  A 490 (-4.7A)
None
 0.66A 2wuzB-3l4dA:
57.1		 2wuzB-3l4dA:
74.46
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		9 / 10 TYR A 102
MET A 105
TYR A 115
ALA A 286
ALA A 290
THR A 294
LEU A 355
MET A 459
VAL A 460
 HEM  A 481 (-4.7A)
TPF  A 490 ( 4.0A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
TPF  A 490 (-4.7A)
None
 0.86A 2wuzB-3l4dA:
57.1		 2wuzB-3l4dA:
74.46
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		5 / 10 TYR A 115
ALA A 287
ALA A 290
THR A 294
MET A 459
 HEM  A 481 ( 4.9A)
HEM  A 481 (-3.3A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.7A)
 1.41A 2wuzB-3l4dA:
57.1		 2wuzB-3l4dA:
74.46
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		7 / 10 TYR A 115
MET A 105
PHE A 109
ALA A 286
ALA A 290
THR A 294
MET A 459
 HEM  A 481 ( 4.9A)
TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.7A)
 1.15A 2wuzB-3l4dA:
57.1		 2wuzB-3l4dA:
74.46
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		8 / 9 TYR A 102
MET A 105
PHE A 109
ALA A 286
ALA A 290
THR A 294
LEU A 355
MET A 459
 HEM  A 481 (-4.7A)
TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
TPF  A 490 (-4.7A)
 0.80A 2wv2A-3l4dA:
57.8		 2wv2A-3l4dA:
76.39
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		7 / 9 TYR A 102
PHE A 109
TYR A 115
ALA A 286
ALA A 290
THR A 294
LEU A 355
 HEM  A 481 (-4.7A)
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
 0.62A 2wv2A-3l4dA:
57.8		 2wv2A-3l4dA:
76.39
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		5 / 9 TYR A 115
MET A 105
PHE A 109
ALA A 290
THR A 294
 HEM  A 481 ( 4.9A)
TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
 1.24A 2wv2A-3l4dA:
57.8		 2wv2A-3l4dA:
76.39
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		5 / 7 MET A 105
PHE A 109
TYR A 102
ALA A 290
THR A 294
 TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
HEM  A 481 (-4.7A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
 1.23A 2wx2A-3l4dA:
54.3		 2wx2A-3l4dA:
74.46
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		7 / 7 MET A 105
PHE A 109
TYR A 115
ALA A 286
ALA A 290
THR A 294
LEU A 355
 TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
 0.71A 2wx2A-3l4dA:
54.3		 2wx2A-3l4dA:
74.46
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		6 / 8 MET A 105
PHE A 109
ALA A 286
ALA A 290
THR A 294
LEU A 355
 TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
 0.97A 2wx2B-3l4dA:
50.9		 2wx2B-3l4dA:
74.46
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		5 / 8 MET A 105
PHE A 109
TYR A 102
ALA A 290
THR A 294
 TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
HEM  A 481 (-4.7A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
 1.36A 2wx2B-3l4dA:
50.9		 2wx2B-3l4dA:
74.46
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		7 / 8 TYR A 102
MET A 105
TYR A 115
ALA A 286
ALA A 290
THR A 294
LEU A 355
 HEM  A 481 (-4.7A)
TPF  A 490 ( 4.0A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
 0.58A 2wx2B-3l4dA:
50.9		 2wx2B-3l4dA:
74.46
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		12 / 12 TYR A 102
PHE A 104
MET A 105
PHE A 109
TYR A 115
PRO A 209
ALA A 210
ALA A 286
ALA A 290
THR A 294
MET A 359
MET A 459
 HEM  A 481 (-4.7A)
None
TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
None
None
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
None
TPF  A 490 (-4.7A)
 0.52A 2x2nA-3l4dA:
58.7		 2x2nA-3l4dA:
75.97
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		7 / 12 TYR A 102
PHE A 104
MET A 105
PRO A 209
ALA A 210
ALA A 286
MET A 359
 HEM  A 481 (-4.7A)
None
TPF  A 490 ( 4.0A)
None
None
TPF  A 490 (-3.4A)
None
 1.31A 2x2nA-3l4dA:
58.7		 2x2nA-3l4dA:
75.97
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		7 / 12 TYR A 102
PHE A 104
TYR A 115
PRO A 209
ALA A 210
ALA A 290
MET A 359
 HEM  A 481 (-4.7A)
None
HEM  A 481 ( 4.9A)
None
None
TPF  A 490 ( 3.4A)
None
 1.42A 2x2nA-3l4dA:
58.7		 2x2nA-3l4dA:
75.97
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		12 / 12 PHE A 104
MET A 105
PHE A 109
TYR A 115
PRO A 209
ALA A 210
ALA A 286
ALA A 290
THR A 294
LEU A 355
MET A 359
MET A 459
 None
TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
None
None
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
None
TPF  A 490 (-4.7A)
 0.57A 2x2nB-3l4dA:
59.2		 2x2nB-3l4dA:
75.97
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		6 / 12 PHE A 104
MET A 105
PRO A 209
ALA A 210
ALA A 286
MET A 359
 None
TPF  A 490 ( 4.0A)
None
None
TPF  A 490 (-3.4A)
None
 1.33A 2x2nB-3l4dA:
59.2		 2x2nB-3l4dA:
75.97
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		6 / 12 PHE A 104
TYR A 115
PRO A 209
ALA A 210
ALA A 290
MET A 359
 None
HEM  A 481 ( 4.9A)
None
None
TPF  A 490 ( 3.4A)
None
 1.46A 2x2nB-3l4dA:
59.2		 2x2nB-3l4dA:
75.97
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		5 / 12 PHE A 109
TYR A 115
PRO A 209
ALA A 210
LEU A 358
 TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
None
None
HEM  A 481 (-3.6A)
 1.23A 2x2nB-3l4dA:
59.2		 2x2nB-3l4dA:
75.97
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		5 / 12 TYR A 115
PRO A 209
ALA A 210
ALA A 290
LEU A 358
 HEM  A 481 ( 4.9A)
None
None
TPF  A 490 ( 3.4A)
HEM  A 481 (-3.6A)
 1.24A 2x2nB-3l4dA:
59.2		 2x2nB-3l4dA:
75.97
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		12 / 12 PHE A 104
MET A 105
PHE A 109
TYR A 115
PRO A 209
VAL A 212
ALA A 286
ALA A 290
THR A 294
LEU A 355
MET A 359
MET A 459
 None
TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
None
None
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
None
TPF  A 490 (-4.7A)
 0.49A 2x2nC-3l4dA:
37.3		 2x2nC-3l4dA:
75.97
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		6 / 12 PHE A 104
MET A 105
PRO A 209
VAL A 212
ALA A 286
MET A 359
 None
TPF  A 490 ( 4.0A)
None
None
TPF  A 490 (-3.4A)
None
 1.34A 2x2nC-3l4dA:
37.3		 2x2nC-3l4dA:
75.97
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		6 / 12 PHE A 104
MET A 105
VAL A 101
ALA A 290
THR A 294
LEU A 355
 None
TPF  A 490 ( 4.0A)
None
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
 1.34A 2x2nC-3l4dA:
37.3		 2x2nC-3l4dA:
75.97
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		6 / 12 PHE A 104
TYR A 115
PRO A 209
VAL A 212
ALA A 290
MET A 359
 None
HEM  A 481 ( 4.9A)
None
None
TPF  A 490 ( 3.4A)
None
 1.49A 2x2nC-3l4dA:
37.3		 2x2nC-3l4dA:
75.97
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		12 / 12 ILE A  46
TYR A 102
PHE A 104
MET A 105
PHE A 109
TYR A 115
ALA A 286
ALA A 290
THR A 294
LEU A 355
MET A 359
MET A 459
 None
HEM  A 481 (-4.7A)
None
TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
None
TPF  A 490 (-4.7A)
 0.65A 2x2nD-3l4dA:
37.0		 2x2nD-3l4dA:
75.97
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.
3BJW_E_SVRE510_2
(PHOSPHOLIPASE A2)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		4 / 6 VAL A 372
GLN A  84
GLY A  65
LEU A 385
 None
 1.10A 3bjwE-3l4dA:
undetectable		 3bjwE-3l4dA:
11.53
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.
3E4E_A_4PZA501_1
(CYTOCHROME P450 2E1)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		3 / 3 ALA A 290
THR A 294
CYH A 422
 TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
HEM  A 481 (-2.2A)
 0.42A 3e4eA-3l4dA:
31.1		 3e4eA-3l4dA:
26.72
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.
3E4E_B_4PZB501_1
(CYTOCHROME P450 2E1)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		3 / 3 ALA A 290
THR A 294
CYH A 422
 TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
HEM  A 481 (-2.2A)
 0.33A 3e4eB-3l4dA:
31.1		 3e4eB-3l4dA:
26.72
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.
3HCO_A_CHDA3_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		4 / 4 LEU A  53
PRO A  52
LEU A 384
ARG A 351
 None
 1.28A 3hcoA-3l4dA:
undetectable		 3hcoA-3l4dA:
21.63
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.
3HCO_B_CHDB1_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		4 / 4 LEU A  53
PRO A  52
LEU A 384
ARG A 351
 None
 1.29A 3hcoB-3l4dA:
undetectable		 3hcoB-3l4dA:
21.63
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		4 / 8 MET A 105
PHE A 109
TYR A 102
ALA A 290
 TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
HEM  A 481 (-4.7A)
TPF  A 490 ( 3.4A)
 0.97A 3khmA-3l4dA:
55.4		 3khmA-3l4dA:
76.03
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		7 / 8 TYR A 102
MET A 105
PHE A 109
ALA A 286
ALA A 290
THR A 294
LEU A 355
 HEM  A 481 (-4.7A)
TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
 0.56A 3khmA-3l4dA:
55.4		 3khmA-3l4dA:
76.03
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		7 / 8 TYR A 102
MET A 105
TYR A 115
ALA A 286
ALA A 290
THR A 294
LEU A 355
 HEM  A 481 (-4.7A)
TPF  A 490 ( 4.0A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
 0.49A 3khmA-3l4dA:
55.4		 3khmA-3l4dA:
76.03
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		5 / 12 TYR A 102
TYR A 115
ALA A 290
THR A 294
MET A 359
 HEM  A 481 (-4.7A)
HEM  A 481 ( 4.9A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
None
 0.64A 3ld6A-3l4dA:
46.0		 3ld6A-3l4dA:
35.02
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		5 / 12 PHE A 109
TYR A 115
ALA A 290
THR A 294
MET A 359
 TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
None
 0.96A 3ld6B-3l4dA:
46.0		 3ld6B-3l4dA:
35.02
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		5 / 12 TYR A 102
TYR A 115
ALA A 290
THR A 294
MET A 359
 HEM  A 481 (-4.7A)
HEM  A 481 ( 4.9A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
None
 0.66A 3ld6B-3l4dA:
46.0		 3ld6B-3l4dA:
35.02
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.
3NK2_X_LDPX433_1
(6-HYDROXY-L-NICOTINE
OXIDASE)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		4 / 7 MET A 283
LEU A 264
LEU A 126
PHE A 109
 None
None
HEM  A 481 (-4.3A)
TPF  A 490 (-4.5A)
 1.15A 3nk2X-3l4dA:
undetectable		 3nk2X-3l4dA:
24.65
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.
3PGH_C_FLPC701_1
(CYCLOOXYGENASE-2)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		5 / 12 LEU A 260
LEU A 187
VAL A 280
GLY A 282
LEU A 235
 None
 0.97A 3pghC-3l4dA:
undetectable		 3pghC-3l4dA:
21.05
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.
3PGH_D_FLPD701_1
(CYCLOOXYGENASE-2)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		5 / 12 LEU A 260
LEU A 187
VAL A 280
GLY A 282
LEU A 235
 None
 0.96A 3pghD-3l4dA:
undetectable		 3pghD-3l4dA:
21.05
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.
3T3Z_C_9PLC501_1
(CYTOCHROME P450 2E1)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		4 / 5 PHE A 109
PHE A 289
ALA A 290
THR A 294
 TPF  A 490 (-4.5A)
TPF  A 490 (-4.3A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
 1.15A 3t3zC-3l4dA:
30.7		 3t3zC-3l4dA:
26.72
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.
4NKX_B_STRB601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		4 / 5 ILE A 423
LEU A 133
GLU A 425
VAL A 432
 HEM  A 481 (-4.7A)
HEM  A 481 (-4.8A)
None
None
 1.00A 4nkxB-3l4dA:
31.4		 4nkxB-3l4dA:
24.76
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.
4WMZ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		5 / 9 TYR A 102
TYR A 115
THR A 294
LEU A 355
MET A 459
 HEM  A 481 (-4.7A)
HEM  A 481 ( 4.9A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
TPF  A 490 (-4.7A)
 0.85A 4wmzA-3l4dA:
39.7		 4wmzA-3l4dA:
29.00
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.
5CDQ_E_MFXE2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		4 / 5 SER A  97
ARG A 121
GLY A 112
GLU A 279
 None
 1.10A 5cdqA-3l4dA:
undetectable
5cdqB-3l4dA:
undetectable
5cdqC-3l4dA:
undetectable		 5cdqA-3l4dA:
21.90
5cdqB-3l4dA:
17.62
5cdqC-3l4dA:
21.90
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.
5CDQ_V_MFXV2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		4 / 5 SER A  97
ARG A 121
GLY A 112
GLU A 279
 None
 1.10A 5cdqR-3l4dA:
1.6
5cdqS-3l4dA:
undetectable
5cdqT-3l4dA:
1.7		 5cdqR-3l4dA:
21.90
5cdqS-3l4dA:
17.62
5cdqT-3l4dA:
21.90
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.
5ESF_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		4 / 8 TYR A 102
TYR A 115
THR A 294
LEU A 355
 HEM  A 481 (-4.7A)
HEM  A 481 ( 4.9A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
 0.57A 5esfA-3l4dA:
39.9		 5esfA-3l4dA:
29.74
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.
5ESH_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		5 / 12 TYR A 102
TYR A 115
PHE A 289
THR A 294
LEU A 355
 HEM  A 481 (-4.7A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-4.3A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
 1.04A 5eshA-3l4dA:
38.7		 5eshA-3l4dA:
29.74
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.
5ESH_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		5 / 12 TYR A 102
TYR A 115
THR A 294
LEU A 355
MET A 459
 HEM  A 481 (-4.7A)
HEM  A 481 ( 4.9A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
TPF  A 490 (-4.7A)
 0.66A 5eshA-3l4dA:
38.7		 5eshA-3l4dA:
29.74
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.
5ESJ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		4 / 8 TYR A 102
THR A 294
LEU A 355
MET A 459
 HEM  A 481 (-4.7A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
TPF  A 490 (-4.7A)
 0.77A 5esjA-3l4dA:
40.0		 5esjA-3l4dA:
28.70
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.
5HS1_A_VORA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		4 / 8 TYR A 102
THR A 294
LEU A 355
LEU A 358
 HEM  A 481 (-4.7A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
HEM  A 481 (-3.6A)
 0.53A 5hs1A-3l4dA:
39.7		 5hs1A-3l4dA:
28.92
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.
5IKR_B_ID8B602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		5 / 12 LEU A 260
LEU A 187
VAL A 280
GLY A 282
LEU A 235
 None
 1.05A 5ikrB-3l4dA:
1.3		 5ikrB-3l4dA:
22.05
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.
5JW1_B_CELB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		5 / 12 LEU A 260
LEU A 187
VAL A 280
GLY A 282
LEU A 235
 None
 1.07A 5jw1B-3l4dA:
undetectable		 5jw1B-3l4dA:
21.62
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.
5ND7_B_TA1B601_2
(TUBULIN BETA-2B
CHAIN)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		3 / 3 THR A 273
PRO A 120
ARG A 123
 None
None
HEM  A 481 (-3.4A)
 0.83A 5nd7B-3l4dA:
undetectable		 5nd7B-3l4dA:
20.95
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.
5O96_F_SAMF501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		5 / 10 GLY A 110
GLU A 279
GLY A 282
ARG A 121
ALA A 116
 None
 1.07A 5o96E-3l4dA:
undetectable
5o96F-3l4dA:
undetectable		 5o96E-3l4dA:
20.70
5o96F-3l4dA:
20.70
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		7 / 12 PHE A  48
ALA A 286
ALA A 290
THR A 294
LEU A 355
MET A 357
MET A 359
 None
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
None
None
 1.09A 5tl8A-3l4dA:
46.7		 5tl8A-3l4dA:
36.02
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		9 / 12 PHE A 104
PHE A 109
TYR A 115
ALA A 286
ALA A 290
THR A 294
LEU A 355
MET A 357
MET A 359
 None
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
None
None
 1.03A 5tl8A-3l4dA:
46.7		 5tl8A-3l4dA:
36.02
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.
5V5Z_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		6 / 12 TYR A 102
TYR A 115
PHE A 104
THR A 294
LEU A 355
MET A 459
 HEM  A 481 (-4.7A)
HEM  A 481 ( 4.9A)
None
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
TPF  A 490 (-4.7A)
 1.07A 5v5zA-3l4dA:
39.9		 5v5zA-3l4dA:
28.44
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.
5V5Z_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		6 / 12 TYR A 102
TYR A 115
PHE A 289
PHE A 104
THR A 294
LEU A 355
 HEM  A 481 (-4.7A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-4.3A)
None
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
 1.22A 5v5zA-3l4dA:
39.9		 5v5zA-3l4dA:
28.44
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.
5XPR_A_K86A1201_1
(ENDOTHELIN B
RECEPTOR,ENDOLYSIN,E
NDOTHELIN B RECEPTOR)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		5 / 12 VAL A 432
LEU A 303
LEU A 318
ILE A 322
ALA A 341
 None
 1.25A 5xprA-3l4dA:
undetectable		 5xprA-3l4dA:
22.81
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		9 / 10 MET A 105
PHE A 109
TYR A 115
ALA A 286
PHE A 289
ALA A 290
THR A 294
LEU A 355
CYH A 422
 TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 (-4.3A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
HEM  A 481 (-2.2A)
 0.86A 6ay4A-3l4dA:
46.5		 6ay4A-3l4dA:
36.02
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		6 / 10 MET A 105
TYR A 102
PHE A 289
ALA A 290
THR A 294
CYH A 422
 TPF  A 490 ( 4.0A)
HEM  A 481 (-4.7A)
TPF  A 490 (-4.3A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
HEM  A 481 (-2.2A)
 1.26A 6ay4A-3l4dA:
46.5		 6ay4A-3l4dA:
36.02
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		9 / 10 TYR A 102
MET A 105
PHE A 109
TYR A 115
ALA A 286
PHE A 289
THR A 294
LEU A 355
CYH A 422
 HEM  A 481 (-4.7A)
TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 (-4.3A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
HEM  A 481 (-2.2A)
 0.85A 6ay4A-3l4dA:
46.5		 6ay4A-3l4dA:
36.02
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		8 / 9 TYR A 102
PHE A 109
TYR A 115
ALA A 286
ALA A 290
THR A 294
LEU A 355
CYH A 422
 HEM  A 481 (-4.7A)
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
HEM  A 481 (-2.2A)
 0.79A 6ay6A-3l4dA:
46.6		 6ay6A-3l4dA:
36.02
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		5 / 12 PHE A 109
TYR A 115
ALA A 286
ALA A 290
LEU A 207
 TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
None
 1.04A 6aybA-3l4dA:
46.5		 6aybA-3l4dA:
36.02
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		9 / 12 TYR A 102
PHE A 104
PHE A 109
TYR A 115
ALA A 286
ALA A 290
THR A 294
LEU A 355
MET A 359
 HEM  A 481 (-4.7A)
None
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
None
 0.81A 6aybA-3l4dA:
46.5		 6aybA-3l4dA:
36.02
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)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		9 / 12 TYR A 102
PHE A 104
PHE A 109
TYR A 115
PHE A 213
ALA A 286
ALA A 290
THR A 294
LEU A 355
 HEM  A 481 (-4.7A)
None
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
None
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
 1.06A 6aybA-3l4dA:
46.5		 6aybA-3l4dA:
36.02
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.
6AYC_A_1YNA502_1
(PROTEIN CYP51)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		5 / 12 ALA A 130
PHE A 109
MET A 105
PHE A 104
LEU A 355
 None
TPF  A 490 (-4.5A)
TPF  A 490 ( 4.0A)
None
TPF  A 490 (-4.4A)
 1.27A 6aycA-3l4dA:
46.8		 6aycA-3l4dA:
10.60
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.
6AYC_A_1YNA502_1
(PROTEIN CYP51)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		10 / 12 TYR A 102
PHE A 104
MET A 105
PHE A 109
TYR A 115
ALA A 286
ALA A 290
THR A 294
LEU A 355
MET A 359
 HEM  A 481 (-4.7A)
None
TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
None
 0.85A 6aycA-3l4dA:
46.8		 6aycA-3l4dA:
10.60
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.
6BER_A_DVAA2_0
(E(DVA)DP(DGL)(DHI)(D
PR)N(DAL)(DPR))		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		3 / 3 GLU A 347
ASP A 352
PRO A 353
 None
 0.66A 6berA-3l4dA:
undetectable		 6berA-3l4dA:
2.36
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.
6FGD_A_ACTA819_0
(GEPHYRIN)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		3 / 3 ARG A 232
GLY A 110
GLU A 111
 None
 0.51A 6fgdA-3l4dA:
undetectable		 6fgdA-3l4dA:
20.17
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.
6NCS_A_ACTA303_0
(N-ACETYLNEURAMINIC
ACID (SIALIC ACID)
SYNTHETASE)		 3l4d STEROL 14-ALPHA
DEMETHYLASE
(Leishmania
infantum) 		3 / 3 ILE A 297
THR A 296
PRO A 463
 None
 0.57A 6ncsA-3l4dA:
undetectable		 6ncsA-3l4dA:
20.83