SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'TPF'


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
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)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 8 TYR A 107
MET A 110
PHE A 292
THR A 297
LEU A 358
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.6A)
TPF  A 506 ( 4.0A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 0.74A 1ea1A-6ay4A:
40.4		 1ea1A-6ay4A:
32.43
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)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		4 / 8 TYR A 107
PHE A 109
MET A 110
PHE A 292
 TPF  A 506 (-4.2A)
None
TPF  A 506 (-4.6A)
TPF  A 506 ( 4.0A)
 0.94A 1ea1A-6ay4A:
40.4		 1ea1A-6ay4A:
32.43
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
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_A_TPFA1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE
, PUTATIVE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		6 / 10 PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
LEU A 358
 TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 0.92A 2wuzA-6ay4A:
46.4		 2wuzA-6ay4A:
36.59
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)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		8 / 10 TYR A 120
MET A 110
PHE A 114
ALA A 289
ALA A 293
THR A 297
LEU A 358
VAL A 468
 None
TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
EDO  A 503 (-4.0A)
 0.92A 2wuzA-6ay4A:
46.4		 2wuzA-6ay4A:
36.59
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.
2WUZ_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE
, PUTATIVE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		6 / 10 PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
LEU A 358
 TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 0.91A 2wuzB-6ay4A:
46.3		 2wuzB-6ay4A:
36.59
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)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		8 / 10 TYR A 120
MET A 110
PHE A 114
ALA A 289
ALA A 293
THR A 297
LEU A 358
VAL A 468
 None
TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
EDO  A 503 (-4.0A)
 0.95A 2wuzB-6ay4A:
46.3		 2wuzB-6ay4A:
36.59
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.
2WV2_A_TPFA1_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 9 PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
 TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
 0.93A 2wv2A-6ay4A:
45.2		 2wv2A-6ay4A:
36.16
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)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		7 / 9 TYR A 120
MET A 110
PHE A 114
ALA A 289
ALA A 293
THR A 297
LEU A 358
 None
TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 1.16A 2wv2A-6ay4A:
45.2		 2wv2A-6ay4A:
36.16
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_A_TPFA1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		7 / 7 MET A 110
PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
LEU A 358
 TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 0.66A 2wx2A-6ay4A:
44.6		 2wx2A-6ay4A:
36.59
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.
2WX2_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		7 / 8 TYR A 107
MET A 110
PHE A 114
ALA A 289
ALA A 293
THR A 297
LEU A 358
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 0.69A 2wx2B-6ay4A:
42.7		 2wx2B-6ay4A:
36.59
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)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		7 / 8 TYR A 107
MET A 110
TYR A 120
ALA A 289
ALA A 293
THR A 297
LEU A 358
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.6A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 0.71A 2wx2B-6ay4A:
42.7		 2wx2B-6ay4A:
36.59
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_A_X2NA1480_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		9 / 12 TYR A 107
PHE A 109
MET A 110
PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
MET A 362
 TPF  A 506 (-4.2A)
None
TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
None
 1.19A 2x2nA-6ay4A:
45.6		 2x2nA-6ay4A:
35.77
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)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 12 TYR A 107
TYR A 120
PRO A 213
ALA A 293
MET A 362
 TPF  A 506 (-4.2A)
None
None
TPF  A 506 ( 3.2A)
None
 1.28A 2x2nA-6ay4A:
45.6		 2x2nA-6ay4A:
35.77
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)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 12 TYR A 107
TYR A 120
PRO A 213
THR A 297
MET A 362
 TPF  A 506 (-4.2A)
None
None
HEM  A 501 (-3.4A)
None
 0.92A 2x2nA-6ay4A:
45.6		 2x2nA-6ay4A:
35.77
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_B_X2NB1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		9 / 12 PHE A 109
MET A 110
PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
LEU A 358
MET A 362
 None
TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
None
 1.16A 2x2nB-6ay4A:
45.7		 2x2nB-6ay4A:
35.77
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_C_X2NC1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		9 / 12 PHE A 109
MET A 110
PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
LEU A 358
MET A 362
 None
TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
None
 1.15A 2x2nC-6ay4A:
46.1		 2x2nC-6ay4A:
35.77
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)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 12 TYR A 120
PRO A 213
THR A 297
LEU A 358
MET A 362
 None
None
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
None
 0.88A 2x2nC-6ay4A:
46.1		 2x2nC-6ay4A:
35.77
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
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)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		10 / 12 TYR A 107
PHE A 109
MET A 110
PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
LEU A 358
MET A 362
 TPF  A 506 (-4.2A)
None
TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
None
 1.17A 2x2nD-6ay4A:
45.8		 2x2nD-6ay4A:
35.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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_A_4PZA501_1
(CYTOCHROME P450 2E1)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		3 / 3 ALA A 293
THR A 297
CYH A 430
 TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
HEM  A 501 ( 1.8A)
 0.44A 3e4eA-6ay4A:
32.0		 3e4eA-6ay4A:
28.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
3E4E_B_4PZB501_1
(CYTOCHROME P450 2E1)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		3 / 3 ALA A 293
THR A 297
CYH A 430
 TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
HEM  A 501 ( 1.8A)
 0.44A 3e4eB-6ay4A:
31.9		 3e4eB-6ay4A:
28.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JUS_A_ECLA600_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 8 TYR A 107
TYR A 120
GLY A 290
ALA A 293
THR A 297
 TPF  A 506 (-4.2A)
None
TPF  A 506 ( 4.6A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
 0.89A 3jusA-6ay4A:
36.5		 3jusA-6ay4A:
40.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JUS_A_ECNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 8 TYR A 107
TYR A 120
GLY A 290
ALA A 293
THR A 297
 TPF  A 506 (-4.2A)
None
TPF  A 506 ( 4.6A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
 0.89A 3jusA-6ay4A:
36.5		 3jusA-6ay4A:
40.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JUS_B_ECNB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 9 TYR A 107
TYR A 120
GLY A 290
ALA A 293
THR A 297
 TPF  A 506 (-4.2A)
None
TPF  A 506 ( 4.6A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
 0.86A 3jusB-6ay4A:
48.8		 3jusB-6ay4A:
40.88
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.
3KHM_A_TPFA501_1
(STEROL 14
ALPHA-DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		8 / 8 TYR A 107
MET A 110
PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
LEU A 358
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 0.79A 3khmA-6ay4A:
45.0		 3khmA-6ay4A:
37.68
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)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		7 / 9 MET A 110
PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
LEU A 358
 TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 0.90A 3l4dB-6ay4A:
46.6		 3l4dB-6ay4A:
36.02
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)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		6 / 9 TYR A 107
MET A 110
PHE A 114
TYR A 120
THR A 297
LEU A 358
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
None
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 0.83A 3l4dB-6ay4A:
46.6		 3l4dB-6ay4A:
36.02
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)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		8 / 9 TYR A 107
MET A 110
PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
LEU A 358
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 0.86A 3l4dC-6ay4A:
46.3		 3l4dC-6ay4A:
36.02
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)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		7 / 8 MET A 110
PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
LEU A 358
 TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 0.85A 3l4dD-6ay4A:
46.4		 3l4dD-6ay4A:
36.02
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_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		6 / 12 TYR A 107
PHE A 114
TYR A 120
ALA A 293
THR A 297
MET A 362
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
None
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
None
 0.79A 3ld6A-6ay4A:
49.2		 3ld6A-6ay4A:
40.88
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)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		6 / 12 TYR A 107
TYR A 120
GLY A 290
ALA A 293
THR A 297
MET A 362
 TPF  A 506 (-4.2A)
None
TPF  A 506 ( 4.6A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
None
 1.01A 3ld6A-6ay4A:
49.2		 3ld6A-6ay4A:
40.88
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
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)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 12 TYR A 107
PHE A 114
TYR A 120
ALA A 293
MET A 362
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
None
TPF  A 506 ( 3.2A)
None
 0.69A 3ld6B-6ay4A:
36.2		 3ld6B-6ay4A:
40.88
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)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 12 TYR A 107
PHE A 114
TYR A 120
ALA A 293
THR A 297
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
None
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
 0.70A 3ld6B-6ay4A:
36.2		 3ld6B-6ay4A:
40.88
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)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 12 TYR A 107
TYR A 120
GLY A 290
ALA A 293
MET A 362
 TPF  A 506 (-4.2A)
None
TPF  A 506 ( 4.6A)
TPF  A 506 ( 3.2A)
None
 0.99A 3ld6B-6ay4A:
36.2		 3ld6B-6ay4A:
40.88
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)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 12 TYR A 107
TYR A 120
GLY A 290
ALA A 293
THR A 297
 TPF  A 506 (-4.2A)
None
TPF  A 506 ( 4.6A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
 0.94A 3ld6B-6ay4A:
36.2		 3ld6B-6ay4A:
40.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
3T3Z_A_9PLA501_1
(CYTOCHROME P450 2E1)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		4 / 6 LEU A 467
PHE A 292
ALA A 293
THR A 297
 EDO  A 503 (-4.2A)
TPF  A 506 ( 4.0A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
 0.85A 3t3zA-6ay4A:
31.3		 3t3zA-6ay4A:
28.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3Z_B_9PLB501_1
(CYTOCHROME P450 2E1)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		4 / 6 LEU A 467
PHE A 292
ALA A 293
THR A 297
 EDO  A 503 (-4.2A)
TPF  A 506 ( 4.0A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
 0.91A 3t3zB-6ay4A:
31.4		 3t3zB-6ay4A:
28.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
3T3Z_D_9PLD501_1
(CYTOCHROME P450 2E1)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		4 / 6 LEU A 467
PHE A 292
ALA A 293
THR A 297
 EDO  A 503 (-4.2A)
TPF  A 506 ( 4.0A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
 0.84A 3t3zD-6ay4A:
31.4		 3t3zD-6ay4A:
28.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UYM_B_VORB590_1
(14-ALPHA STEROL
DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		4 / 7 TYR A 107
PHE A 114
TYR A 120
LEU A 467
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
None
EDO  A 503 (-4.2A)
 0.72A 4uymB-6ay4A:
44.1		 4uymB-6ay4A:
35.33
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.
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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WMZ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 9 PHE A 114
TYR A 120
PHE A 292
THR A 297
LEU A 358
 TPF  A 506 (-4.4A)
None
TPF  A 506 ( 4.0A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 1.38A 4wmzA-6ay4A:
42.8		 4wmzA-6ay4A:
33.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WMZ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 9 TYR A 107
PHE A 114
TYR A 120
THR A 297
LEU A 358
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
None
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 0.66A 4wmzA-6ay4A:
42.8		 4wmzA-6ay4A:
33.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZE0_A_VORA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 9 TYR A 107
PHE A 114
PHE A 292
THR A 297
LEU A 358
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
TPF  A 506 ( 4.0A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 1.36A 4ze0A-6ay4A:
41.9		 4ze0A-6ay4A:
33.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZE1_A_X2NA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		4 / 5 VAL A  51
TYR A 107
PRO A 213
THR A 297
 None
TPF  A 506 (-4.2A)
None
HEM  A 501 (-3.4A)
 0.87A 4ze1A-6ay4A:
undetectable		 4ze1A-6ay4A:
33.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZE2_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 12 TYR A 107
PHE A 114
THR A 297
LEU A 358
THR A 465
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
None
 0.90A 4ze2A-6ay4A:
42.6		 4ze2A-6ay4A:
33.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZE3_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 7 TYR A 107
PHE A 114
PHE A 292
THR A 297
LEU A 358
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
TPF  A 506 ( 4.0A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 1.36A 4ze3A-6ay4A:
42.9		 4ze3A-6ay4A:
33.03
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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ESG_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 12 PHE A 114
TYR A 120
PHE A 292
THR A 297
LEU A 358
 TPF  A 506 (-4.4A)
None
TPF  A 506 ( 4.0A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 1.38A 5esgA-6ay4A:
42.9		 5esgA-6ay4A:
33.21
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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ESH_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 12 TYR A 107
TYR A 120
PHE A 292
THR A 297
LEU A 358
 TPF  A 506 (-4.2A)
None
TPF  A 506 ( 4.0A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 1.16A 5eshA-6ay4A:
42.2		 5eshA-6ay4A:
33.21
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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ESL_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 12 TYR A 107
PHE A 114
TYR A 120
PHE A 292
THR A 297
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
None
TPF  A 506 ( 4.0A)
HEM  A 501 (-3.4A)
 1.27A 5eslA-6ay4A:
42.1		 5eslA-6ay4A:
33.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ESL_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 12 TYR A 107
PHE A 114
TYR A 120
THR A 297
THR A 465
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
None
HEM  A 501 (-3.4A)
None
 0.74A 5eslA-6ay4A:
42.1		 5eslA-6ay4A:
33.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ESM_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		4 / 7 TYR A 107
PHE A 114
THR A 297
LEU A 358
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 0.58A 5esmA-6ay4A:
42.8		 5esmA-6ay4A:
33.03
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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HS1_A_VORA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		4 / 8 TYR A 107
PHE A 114
THR A 297
LEU A 358
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 0.66A 5hs1A-6ay4A:
42.8		 5hs1A-6ay4A:
32.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JLC_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 12 ALA A  54
TYR A 107
PHE A 114
TYR A 120
THR A 465
 None
TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
None
None
 0.98A 5jlcA-6ay4A:
42.3		 5jlcA-6ay4A:
32.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JLC_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 12 TYR A 107
PHE A 114
TYR A 120
THR A 297
THR A 465
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
None
HEM  A 501 (-3.4A)
None
 0.65A 5jlcA-6ay4A:
42.3		 5jlcA-6ay4A:
32.26
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
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)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		12 / 12 PHE A  53
ALA A  54
PHE A 109
PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
LEU A 358
MET A 360
MET A 362
THR A 465
 None
None
None
TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
None
None
None
 0.49A 5tl8A-6ay4A:
63.0		 5tl8A-6ay4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TL8_A_X2NA502_2
(PROTEIN CYP51)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		6 / 6 PRO A  57
TYR A 107
PRO A 213
LEU A 214
PHE A 216
LEU A 467
 None
TPF  A 506 (-4.2A)
None
None
None
EDO  A 503 (-4.2A)
 0.67A 5tl8A-6ay4A:
63.0		 5tl8A-6ay4A:
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.
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
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.
6AY6_A_VORA501_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		8 / 9 TYR A 107
PHE A 114
ALA A 289
ALA A 293
THR A 297
LEU A 358
CYH A 430
LEU A 467
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
HEM  A 501 ( 1.8A)
EDO  A 503 (-4.2A)
 0.50A 6ay6A-6ay4A:
63.1		 6ay6A-6ay4A:
100.00
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)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		8 / 9 TYR A 107
PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
LEU A 358
CYH A 430
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
HEM  A 501 ( 1.8A)
 0.51A 6ay6A-6ay4A:
63.1		 6ay6A-6ay4A:
100.00
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
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)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		12 / 12 TYR A 107
PHE A 109
PHE A 114
TYR A 120
PHE A 217
ALA A 289
ALA A 293
THR A 297
LEU A 358
ILE A 359
MET A 362
LEU A 467
 TPF  A 506 (-4.2A)
None
TPF  A 506 (-4.4A)
None
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
None
None
EDO  A 503 (-4.2A)
 0.64A 6aybA-6ay4A:
62.6		 6aybA-6ay4A:
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.
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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AYC_A_1YNA502_1
(PROTEIN CYP51)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		11 / 12 PHE A  50
ALA A  54
TYR A 107
PHE A 109
MET A 110
PHE A 114
ALA A 289
ALA A 293
THR A 297
LEU A 358
MET A 362
 None
None
TPF  A 506 (-4.2A)
None
TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
None
 0.65A 6aycA-6ay4A:
63.2		 6aycA-6ay4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AYC_A_1YNA502_1
(PROTEIN CYP51)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		11 / 12 PHE A  50
ALA A  54
TYR A 107
PHE A 109
PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
LEU A 358
MET A 362
 None
None
TPF  A 506 (-4.2A)
None
TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
None
 0.67A 6aycA-6ay4A:
63.2		 6aycA-6ay4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AYC_A_1YNA502_1
(PROTEIN CYP51)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 12 PHE A  83
PHE A 114
ALA A 289
ALA A 293
THR A 297
 None
TPF  A 506 (-4.4A)
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
 1.22A 6aycA-6ay4A:
63.2		 6aycA-6ay4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AYC_A_1YNA502_2
(PROTEIN CYP51)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		6 / 7 VAL A 119
PRO A 213
LEU A 214
PHE A 216
PHE A 292
LEU A 467
 None
None
None
None
TPF  A 506 ( 4.0A)
EDO  A 503 (-4.2A)
 0.28A 6aycA-6ay4A:
63.2		 6aycA-6ay4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AYC_A_1YNA502_2
(PROTEIN CYP51)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		6 / 7 VAL A 119
PRO A 213
LEU A 214
PHE A 292
MET A 360
LEU A 467
 None
None
None
TPF  A 506 ( 4.0A)
None
EDO  A 503 (-4.2A)
 0.43A 6aycA-6ay4A:
63.2		 6aycA-6ay4A:
100.00