SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '6ay4'

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)		 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
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.
1OPJ_B_STIB4_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		4 / 6 LEU A 438
VAL A 315
ILE A 444
ARG A 406
 None
 0.86A 1opjB-6ay4A:
undetectable		 1opjB-6ay4A:
19.83
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.
1T9W_A_NFNA6001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		3 / 3 SER A  49
GLY A  48
ARG A  39
 None
 0.63A 1t9wA-6ay4A:
2.6		 1t9wA-6ay4A:
18.40
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.
2QB4_A_DSMA802_1
(TRANSPORTER)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		4 / 7 ILE A 381
PHE A  83
ILE A  61
PHE A  53
 None
 1.00A 2qb4A-6ay4A:
undetectable		 2qb4A-6ay4A:
20.73
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.
2W8Y_A_486A1000_1
(PROGESTERONE
RECEPTOR)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 12 LEU A 291
GLY A 138
PHE A 237
LEU A 240
VAL A 146
 EDO  A 505 ( 4.3A)
None
None
None
None
 1.37A 2w8yA-6ay4A:
undetectable		 2w8yA-6ay4A:
19.83
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)		 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)		 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)		 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)		 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)		 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)		 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)		 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)		 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)		 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)		 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
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.
3H52_A_486A3_1
(GLUCOCORTICOID
RECEPTOR)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 12 MET A 174
LEU A 173
MET A 453
LEU A 448
ILE A 446
 None
 1.42A 3h52A-6ay4A:
undetectable		 3h52A-6ay4A:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HS4_A_AZMA702_1
(CARBONIC ANHYDRASE 2)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		4 / 7 LYS A 318
TYR A 343
GLU A 350
PRO A 404
 None
 1.29A 3hs4A-6ay4A:
undetectable		 3hs4A-6ay4A:
19.16
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)		 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)		 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)		 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.
3S3V_A_TOPA193_1
(DIHYDROFOLATE
REDUCTASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		4 / 5 ASP A 280
LEU A 241
ILE A 286
PHE A 134
 None
 1.22A 3s3vA-6ay4A:
undetectable		 3s3vA-6ay4A:
17.39
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.
3T3R_A_9PLA501_1
(CYTOCHROME P450 2A6)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		5 / 11 VAL A 135
PHE A 144
GLY A 432
LEU A 186
PHE A 147
 None
None
HEM  A 501 ( 3.9A)
None
None
 1.13A 3t3rA-6ay4A:
32.2		 3t3rA-6ay4A:
26.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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_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
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
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.
4XJE_A_TOYA202_1
(AADB)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		4 / 8 ASP A 265
ASP A 262
ILE A 150
ASP A 189
 None
 0.79A 4xjeA-6ay4A:
1.1		 4xjeA-6ay4A:
18.76
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		4 / 8 ASP A 265
ASP A 262
ILE A 150
ASP A 189
 None
 0.62A 5cfsA-6ay4A:
1.3		 5cfsA-6ay4A:
18.76
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.
5CSH_B_ACTB401_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		4 / 5 ARG A 410
ARG A 406
ASN A 398
VAL A 401
 None
 1.49A 5cshB-6ay4A:
undetectable		 5cshB-6ay4A:
20.56
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
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
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
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)		 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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		4 / 8 PRO A 404
THR A 305
TYR A 343
PRO A 422
 None
 1.23A 5x2sI-6ay4A:
undetectable
5x2sJ-6ay4A:
undetectable
5x2sK-6ay4A:
undetectable		 5x2sI-6ay4A:
15.77
5x2sJ-6ay4A:
14.66
5x2sK-6ay4A:
15.77
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		4 / 8 PRO A 460
THR A 475
TYR A 455
PRO A 357
 None
None
None
HEM  A 501 ( 4.4A)
 1.21A 5x2sI-6ay4A:
undetectable
5x2sJ-6ay4A:
undetectable
5x2sK-6ay4A:
undetectable		 5x2sI-6ay4A:
15.77
5x2sJ-6ay4A:
14.66
5x2sK-6ay4A:
15.77
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)		 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
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
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.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		4 / 6 SER A 299
ASP A 176
GLN A 295
THR A 475
 None
None
EDO  A 505 (-3.8A)
None
 1.50A 6djzA-6ay4A:
undetectable		 6djzA-6ay4A:
20.18
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.
6EKZ_A_SNPA413_0
(AROMATIC
PEROXYGENASE)		 6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE
(Naegleria
fowleri) 		4 / 7 GLN A 238
GLY A 115
GLY A 285
VAL A 118
 None
 0.90A 6ekzA-6ay4A:
undetectable		 6ekzA-6ay4A:
10.56