SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'TPF'
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 P45051-LIKE RV0764C) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 5 / 8 | TYR A 102MET A 105PHE A 289THR A 294LEU 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 P45051-LIKE RV0764C) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 4 / 8 | TYR A 102PHE A 104MET A 105PHE A 289 | HEM A 481 (-4.7A)NoneTPF 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 P45051-LIKE RV0764C) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 8 | TYR A 107MET A 110PHE A 292THR A 297LEU 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 P45051-LIKE RV0764C) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 4 / 8 | TYR A 107PHE A 109MET A 110PHE A 292 | TPF A 506 (-4.2A)NoneTPF 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-ALPHADEMETHYLASE (Leishmaniainfantum) | 4 / 8 | PHE A 104PHE A 109ALA A 290LEU A 355 | NoneTPF 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-ALPHADEMETHYLASE (Leishmaniainfantum) | 4 / 8 | TYR A 102PHE A 104ALA A 290LEU A 355 | HEM A 481 (-4.7A)NoneTPF 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 (RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE[QUINONE]) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 4 / 7 | GLY A 291THR A 294GLN A 431PHE A 138 | HEM A 481 ( 3.7A)TPF A 490 ( 3.5A)NoneNone | 1.11A | 2qx4A-3l4dA:undetectable2qx4B-3l4dA:undetectable | 2qx4A-3l4dA:18.872qx4B-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 (LANOSTEROL14-ALPHA-DEMETHYLASE, PUTATIVE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 6 / 10 | ALA A 287ALA A 290THR A 294LEU A 355MET A 459VAL 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 (LANOSTEROL14-ALPHA-DEMETHYLASE, PUTATIVE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 9 / 10 | MET A 105PHE A 109TYR A 115ALA A 286ALA A 290THR A 294LEU A 355MET A 459VAL 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 (LANOSTEROL14-ALPHA-DEMETHYLASE, PUTATIVE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 9 / 10 | TYR A 102MET A 105TYR A 115ALA A 286ALA A 290THR A 294LEU A 355MET A 459VAL 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 (LANOSTEROL14-ALPHA-DEMETHYLASE, PUTATIVE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 5 / 10 | TYR A 115ALA A 287ALA A 290THR A 294MET 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 (LANOSTEROL14-ALPHA-DEMETHYLASE, PUTATIVE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 7 / 10 | TYR A 115MET A 105PHE A 109ALA A 286ALA A 290THR A 294MET 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 (LANOSTEROL14-ALPHA-DEMETHYLASE, PUTATIVE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 6 / 10 | PHE A 114TYR A 120ALA A 289ALA A 293THR A 297LEU A 358 | TPF A 506 (-4.4A)NoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE, PUTATIVE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 8 / 10 | TYR A 120MET A 110PHE A 114ALA A 289ALA A 293THR A 297LEU A 358VAL A 468 | NoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE, PUTATIVE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 6 / 10 | ALA A 287ALA A 290THR A 294LEU A 355MET A 459VAL 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 (LANOSTEROL14-ALPHA-DEMETHYLASE, PUTATIVE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 9 / 10 | MET A 105PHE A 109TYR A 115ALA A 286ALA A 290THR A 294LEU A 355MET A 459VAL 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 (LANOSTEROL14-ALPHA-DEMETHYLASE, PUTATIVE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 9 / 10 | TYR A 102MET A 105TYR A 115ALA A 286ALA A 290THR A 294LEU A 355MET A 459VAL 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 (LANOSTEROL14-ALPHA-DEMETHYLASE, PUTATIVE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 5 / 10 | TYR A 115ALA A 287ALA A 290THR A 294MET 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 (LANOSTEROL14-ALPHA-DEMETHYLASE, PUTATIVE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 7 / 10 | TYR A 115MET A 105PHE A 109ALA A 286ALA A 290THR A 294MET 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 (LANOSTEROL14-ALPHA-DEMETHYLASE, PUTATIVE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 6 / 10 | PHE A 114TYR A 120ALA A 289ALA A 293THR A 297LEU A 358 | TPF A 506 (-4.4A)NoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE, PUTATIVE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 8 / 10 | TYR A 120MET A 110PHE A 114ALA A 289ALA A 293THR A 297LEU A 358VAL A 468 | NoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 8 / 9 | TYR A 102MET A 105PHE A 109ALA A 286ALA A 290THR A 294LEU A 355MET 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 7 / 9 | TYR A 102PHE A 109TYR A 115ALA A 286ALA A 290THR A 294LEU 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 5 / 9 | TYR A 115MET A 105PHE A 109ALA A 290THR 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 9 | PHE A 114TYR A 120ALA A 289ALA A 293THR A 297 | TPF A 506 (-4.4A)NoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 7 / 9 | TYR A 120MET A 110PHE A 114ALA A 289ALA A 293THR A 297LEU A 358 | NoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 5 / 7 | MET A 105PHE A 109TYR A 102ALA A 290THR 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 7 / 7 | MET A 105PHE A 109TYR A 115ALA A 286ALA A 290THR A 294LEU 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 7 / 7 | MET A 110PHE A 114TYR A 120ALA A 289ALA A 293THR A 297LEU A 358 | TPF A 506 (-4.6A)TPF A 506 (-4.4A)NoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 6 / 8 | MET A 105PHE A 109ALA A 286ALA A 290THR A 294LEU 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 5 / 8 | MET A 105PHE A 109TYR A 102ALA A 290THR 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 7 / 8 | TYR A 102MET A 105TYR A 115ALA A 286ALA A 290THR A 294LEU 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 7 / 8 | TYR A 107MET A 110PHE A 114ALA A 289ALA A 293THR A 297LEU 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 7 / 8 | TYR A 107MET A 110TYR A 120ALA A 289ALA A 293THR A 297LEU A 358 | TPF A 506 (-4.2A)TPF A 506 (-4.6A)NoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 12 / 12 | TYR A 102PHE A 104MET A 105PHE A 109TYR A 115PRO A 209ALA A 210ALA A 286ALA A 290THR A 294MET A 359MET A 459 | HEM A 481 (-4.7A)NoneTPF A 490 ( 4.0A)TPF A 490 (-4.5A)HEM A 481 ( 4.9A)NoneNoneTPF A 490 (-3.4A)TPF A 490 ( 3.4A)TPF A 490 ( 3.5A)NoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 7 / 12 | TYR A 102PHE A 104MET A 105PRO A 209ALA A 210ALA A 286MET A 359 | HEM A 481 (-4.7A)NoneTPF A 490 ( 4.0A)NoneNoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 7 / 12 | TYR A 102PHE A 104TYR A 115PRO A 209ALA A 210ALA A 290MET A 359 | HEM A 481 (-4.7A)NoneHEM A 481 ( 4.9A)NoneNoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 9 / 12 | TYR A 107PHE A 109MET A 110PHE A 114TYR A 120ALA A 289ALA A 293THR A 297MET A 362 | TPF A 506 (-4.2A)NoneTPF A 506 (-4.6A)TPF A 506 (-4.4A)NoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 12 | TYR A 107TYR A 120PRO A 213ALA A 293MET A 362 | TPF A 506 (-4.2A)NoneNoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 12 | TYR A 107TYR A 120PRO A 213THR A 297MET A 362 | TPF A 506 (-4.2A)NoneNoneHEM 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 12 / 12 | PHE A 104MET A 105PHE A 109TYR A 115PRO A 209ALA A 210ALA A 286ALA A 290THR A 294LEU A 355MET A 359MET A 459 | NoneTPF A 490 ( 4.0A)TPF A 490 (-4.5A)HEM A 481 ( 4.9A)NoneNoneTPF A 490 (-3.4A)TPF A 490 ( 3.4A)TPF A 490 ( 3.5A)TPF A 490 (-4.4A)NoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 6 / 12 | PHE A 104MET A 105PRO A 209ALA A 210ALA A 286MET A 359 | NoneTPF A 490 ( 4.0A)NoneNoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 6 / 12 | PHE A 104TYR A 115PRO A 209ALA A 210ALA A 290MET A 359 | NoneHEM A 481 ( 4.9A)NoneNoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 5 / 12 | PHE A 109TYR A 115PRO A 209ALA A 210LEU A 358 | TPF A 490 (-4.5A)HEM A 481 ( 4.9A)NoneNoneHEM 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 5 / 12 | TYR A 115PRO A 209ALA A 210ALA A 290LEU A 358 | HEM A 481 ( 4.9A)NoneNoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 9 / 12 | PHE A 109MET A 110PHE A 114TYR A 120ALA A 289ALA A 293THR A 297LEU A 358MET A 362 | NoneTPF A 506 (-4.6A)TPF A 506 (-4.4A)NoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 12 / 12 | PHE A 104MET A 105PHE A 109TYR A 115PRO A 209VAL A 212ALA A 286ALA A 290THR A 294LEU A 355MET A 359MET A 459 | NoneTPF A 490 ( 4.0A)TPF A 490 (-4.5A)HEM A 481 ( 4.9A)NoneNoneTPF A 490 (-3.4A)TPF A 490 ( 3.4A)TPF A 490 ( 3.5A)TPF A 490 (-4.4A)NoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 6 / 12 | PHE A 104MET A 105PRO A 209VAL A 212ALA A 286MET A 359 | NoneTPF A 490 ( 4.0A)NoneNoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 6 / 12 | PHE A 104MET A 105VAL A 101ALA A 290THR A 294LEU A 355 | NoneTPF A 490 ( 4.0A)NoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 6 / 12 | PHE A 104TYR A 115PRO A 209VAL A 212ALA A 290MET A 359 | NoneHEM A 481 ( 4.9A)NoneNoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 9 / 12 | PHE A 109MET A 110PHE A 114TYR A 120ALA A 289ALA A 293THR A 297LEU A 358MET A 362 | NoneTPF A 506 (-4.6A)TPF A 506 (-4.4A)NoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 12 | TYR A 120PRO A 213THR A 297LEU A 358MET A 362 | NoneNoneHEM 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 12 / 12 | ILE A 46TYR A 102PHE A 104MET A 105PHE A 109TYR A 115ALA A 286ALA A 290THR A 294LEU A 355MET A 359MET A 459 | NoneHEM A 481 (-4.7A)NoneTPF 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)NoneTPF 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 (LANOSTEROL14-ALPHA-DEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 10 / 12 | TYR A 107PHE A 109MET A 110PHE A 114TYR A 120ALA A 289ALA A 293THR A 297LEU A 358MET A 362 | TPF A 506 (-4.2A)NoneTPF A 506 (-4.6A)TPF A 506 (-4.4A)NoneTPF 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-ALPHADEMETHYLASE (Leishmaniainfantum) | 3 / 3 | ALA A 290THR A 294CYH 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, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 3 / 3 | ALA A 293THR A 297CYH 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-ALPHADEMETHYLASE (Leishmaniainfantum) | 3 / 3 | ALA A 290THR A 294CYH 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, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 3 / 3 | ALA A 293THR A 297CYH 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 8 | TYR A 107TYR A 120GLY A 290ALA A 293THR A 297 | TPF A 506 (-4.2A)NoneTPF 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 8 | TYR A 107TYR A 120GLY A 290ALA A 293THR A 297 | TPF A 506 (-4.2A)NoneTPF 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 9 | TYR A 107TYR A 120GLY A 290ALA A 293THR A 297 | TPF A 506 (-4.2A)NoneTPF 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 14ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 4 / 8 | MET A 105PHE A 109TYR A 102ALA 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 14ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 7 / 8 | TYR A 102MET A 105PHE A 109ALA A 286ALA A 290THR A 294LEU 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 14ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 7 / 8 | TYR A 102MET A 105TYR A 115ALA A 286ALA A 290THR A 294LEU 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 14ALPHA-DEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 8 / 8 | TYR A 107MET A 110PHE A 114TYR A 120ALA A 289ALA A 293THR A 297LEU A 358 | TPF A 506 (-4.2A)TPF A 506 (-4.6A)TPF A 506 (-4.4A)NoneTPF 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 7 / 9 | MET A 110PHE A 114TYR A 120ALA A 289ALA A 293THR A 297LEU A 358 | TPF A 506 (-4.6A)TPF A 506 (-4.4A)NoneTPF 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 6 / 9 | TYR A 107MET A 110PHE A 114TYR A 120THR A 297LEU A 358 | TPF A 506 (-4.2A)TPF A 506 (-4.6A)TPF A 506 (-4.4A)NoneHEM 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 8 / 9 | TYR A 107MET A 110PHE A 114TYR A 120ALA A 289ALA A 293THR A 297LEU A 358 | TPF A 506 (-4.2A)TPF A 506 (-4.6A)TPF A 506 (-4.4A)NoneTPF 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 7 / 8 | MET A 110PHE A 114TYR A 120ALA A 289ALA A 293THR A 297LEU A 358 | TPF A 506 (-4.6A)TPF A 506 (-4.4A)NoneTPF 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-ALPHADEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 5 / 12 | TYR A 102TYR A 115ALA A 290THR A 294MET 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 6 / 12 | TYR A 107PHE A 114TYR A 120ALA A 293THR A 297MET A 362 | TPF A 506 (-4.2A)TPF A 506 (-4.4A)NoneTPF 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 6 / 12 | TYR A 107TYR A 120GLY A 290ALA A 293THR A 297MET A 362 | TPF A 506 (-4.2A)NoneTPF 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-ALPHADEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 5 / 12 | PHE A 109TYR A 115ALA A 290THR A 294MET 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-ALPHADEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 5 / 12 | TYR A 102TYR A 115ALA A 290THR A 294MET 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 12 | TYR A 107PHE A 114TYR A 120ALA A 293MET A 362 | TPF A 506 (-4.2A)TPF A 506 (-4.4A)NoneTPF 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 12 | TYR A 107PHE A 114TYR A 120ALA A 293THR A 297 | TPF A 506 (-4.2A)TPF A 506 (-4.4A)NoneTPF 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 12 | TYR A 107TYR A 120GLY A 290ALA A 293MET A 362 | TPF A 506 (-4.2A)NoneTPF 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 12 | TYR A 107TYR A 120GLY A 290ALA A 293THR A 297 | TPF A 506 (-4.2A)NoneTPF 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-NICOTINEOXIDASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 4 / 7 | MET A 283LEU A 264LEU A 126PHE A 109 | NoneNoneHEM 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, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 4 / 6 | LEU A 467PHE A 292ALA A 293THR 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, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 4 / 6 | LEU A 467PHE A 292ALA A 293THR 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-ALPHADEMETHYLASE (Leishmaniainfantum) | 4 / 5 | PHE A 109PHE A 289ALA A 290THR 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, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 4 / 6 | LEU A 467PHE A 292ALA A 293THR 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 STEROLDEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 4 / 7 | TYR A 107PHE A 114TYR A 120LEU A 467 | TPF A 506 (-4.2A)TPF A 506 (-4.4A)NoneEDO 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-ALPHADEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 5 / 9 | TYR A 102TYR A 115THR A 294LEU A 355MET 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 9 | PHE A 114TYR A 120PHE A 292THR A 297LEU A 358 | TPF A 506 (-4.4A)NoneTPF 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 9 | TYR A 107PHE A 114TYR A 120THR A 297LEU A 358 | TPF A 506 (-4.2A)TPF A 506 (-4.4A)NoneHEM 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 9 | TYR A 107PHE A 114PHE A 292THR A 297LEU 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 4 / 5 | VAL A 51TYR A 107PRO A 213THR A 297 | NoneTPF A 506 (-4.2A)NoneHEM 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 12 | TYR A 107PHE A 114THR A 297LEU A 358THR 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 7 | TYR A 107PHE A 114PHE A 292THR A 297LEU 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-ALPHADEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 4 / 8 | TYR A 102TYR A 115THR A 294LEU 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 12 | PHE A 114TYR A 120PHE A 292THR A 297LEU A 358 | TPF A 506 (-4.4A)NoneTPF 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-ALPHADEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 5 / 12 | TYR A 102TYR A 115PHE A 289THR A 294LEU 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-ALPHADEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 5 / 12 | TYR A 102TYR A 115THR A 294LEU A 355MET 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 12 | TYR A 107TYR A 120PHE A 292THR A 297LEU A 358 | TPF A 506 (-4.2A)NoneTPF 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-ALPHADEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 4 / 8 | TYR A 102THR A 294LEU A 355MET 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 12 | TYR A 107PHE A 114TYR A 120PHE A 292THR A 297 | TPF A 506 (-4.2A)TPF A 506 (-4.4A)NoneTPF 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 12 | TYR A 107PHE A 114TYR A 120THR A 297THR A 465 | TPF A 506 (-4.2A)TPF A 506 (-4.4A)NoneHEM 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 4 / 7 | TYR A 107PHE A 114THR A 297LEU 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-ALPHADEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 4 / 8 | TYR A 102THR A 294LEU A 355LEU 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 4 / 8 | TYR A 107PHE A 114THR A 297LEU 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 12 | ALA A 54TYR A 107PHE A 114TYR A 120THR A 465 | NoneTPF A 506 (-4.2A)TPF A 506 (-4.4A)NoneNone | 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-ALPHADEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 12 | TYR A 107PHE A 114TYR A 120THR A 297THR A 465 | TPF A 506 (-4.2A)TPF A 506 (-4.4A)NoneHEM 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-ALPHADEMETHYLASE (Leishmaniainfantum) | 7 / 12 | PHE A 48ALA A 286ALA A 290THR A 294LEU A 355MET A 357MET A 359 | NoneTPF A 490 (-3.4A)TPF A 490 ( 3.4A)TPF A 490 ( 3.5A)TPF A 490 (-4.4A)NoneNone | 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-ALPHADEMETHYLASE (Leishmaniainfantum) | 9 / 12 | PHE A 104PHE A 109TYR A 115ALA A 286ALA A 290THR A 294LEU A 355MET A 357MET A 359 | NoneTPF 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)NoneNone | 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, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 12 / 12 | PHE A 53ALA A 54PHE A 109PHE A 114TYR A 120ALA A 289ALA A 293THR A 297LEU A 358MET A 360MET A 362THR A 465 | NoneNoneNoneTPF A 506 (-4.4A)NoneTPF A 506 (-3.5A)TPF A 506 ( 3.2A)HEM A 501 (-3.4A)TPF A 506 ( 4.4A)NoneNoneNone | 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, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 6 / 6 | PRO A 57TYR A 107PRO A 213LEU A 214PHE A 216LEU A 467 | NoneTPF A 506 (-4.2A)NoneNoneNoneEDO 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-ALPHADEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 6 / 12 | TYR A 102TYR A 115PHE A 104THR A 294LEU A 355MET A 459 | HEM A 481 (-4.7A)HEM A 481 ( 4.9A)NoneTPF 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-ALPHADEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 6 / 12 | TYR A 102TYR A 115PHE A 289PHE A 104THR A 294LEU A 355 | HEM A 481 (-4.7A)HEM A 481 ( 4.9A)TPF A 490 (-4.3A)NoneTPF 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, STEROL14ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 9 / 10 | MET A 105PHE A 109TYR A 115ALA A 286PHE A 289ALA A 290THR A 294LEU A 355CYH 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, STEROL14ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 6 / 10 | MET A 105TYR A 102PHE A 289ALA A 290THR A 294CYH 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, STEROL14ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 9 / 10 | TYR A 102MET A 105PHE A 109TYR A 115ALA A 286PHE A 289THR A 294LEU A 355CYH 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, STEROL14ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 8 / 9 | TYR A 102PHE A 109TYR A 115ALA A 286ALA A 290THR A 294LEU A 355CYH 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, STEROL14ALPHA-DEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 8 / 9 | TYR A 107PHE A 114ALA A 289ALA A 293THR A 297LEU A 358CYH A 430LEU 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, STEROL14ALPHA-DEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 8 / 9 | TYR A 107PHE A 114TYR A 120ALA A 289ALA A 293THR A 297LEU A 358CYH A 430 | TPF A 506 (-4.2A)TPF A 506 (-4.4A)NoneTPF 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, STEROL14ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 5 / 12 | PHE A 109TYR A 115ALA A 286ALA A 290LEU 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, STEROL14ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 9 / 12 | TYR A 102PHE A 104PHE A 109TYR A 115ALA A 286ALA A 290THR A 294LEU A 355MET A 359 | HEM A 481 (-4.7A)NoneTPF 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, STEROL14ALPHA-DEMETHYLASE) |
3l4d | STEROL 14-ALPHADEMETHYLASE (Leishmaniainfantum) | 9 / 12 | TYR A 102PHE A 104PHE A 109TYR A 115PHE A 213ALA A 286ALA A 290THR A 294LEU A 355 | HEM A 481 (-4.7A)NoneTPF A 490 (-4.5A)HEM A 481 ( 4.9A)NoneTPF 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, STEROL14ALPHA-DEMETHYLASE) |
6ay4 | CYP51, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 12 / 12 | TYR A 107PHE A 109PHE A 114TYR A 120PHE A 217ALA A 289ALA A 293THR A 297LEU A 358ILE A 359MET A 362LEU A 467 | TPF A 506 (-4.2A)NoneTPF A 506 (-4.4A)NoneNoneTPF A 506 (-3.5A)TPF A 506 ( 3.2A)HEM A 501 (-3.4A)TPF A 506 ( 4.4A)NoneNoneEDO 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-ALPHADEMETHYLASE (Leishmaniainfantum) | 5 / 12 | ALA A 130PHE A 109MET A 105PHE A 104LEU A 355 | NoneTPF A 490 (-4.5A)TPF A 490 ( 4.0A)NoneTPF 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-ALPHADEMETHYLASE (Leishmaniainfantum) | 10 / 12 | TYR A 102PHE A 104MET A 105PHE A 109TYR A 115ALA A 286ALA A 290THR A 294LEU A 355MET A 359 | HEM A 481 (-4.7A)NoneTPF 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, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 11 / 12 | PHE A 50ALA A 54TYR A 107PHE A 109MET A 110PHE A 114ALA A 289ALA A 293THR A 297LEU A 358MET A 362 | NoneNoneTPF A 506 (-4.2A)NoneTPF 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, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 11 / 12 | PHE A 50ALA A 54TYR A 107PHE A 109PHE A 114TYR A 120ALA A 289ALA A 293THR A 297LEU A 358MET A 362 | NoneNoneTPF A 506 (-4.2A)NoneTPF A 506 (-4.4A)NoneTPF 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, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 5 / 12 | PHE A 83PHE A 114ALA A 289ALA A 293THR A 297 | NoneTPF 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, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 6 / 7 | VAL A 119PRO A 213LEU A 214PHE A 216PHE A 292LEU A 467 | NoneNoneNoneNoneTPF 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, STEROL14ALPHA-DEMETHYLASE (Naegleriafowleri) | 6 / 7 | VAL A 119PRO A 213LEU A 214PHE A 292MET A 360LEU A 467 | NoneNoneNoneTPF A 506 ( 4.0A)NoneEDO A 503 (-4.2A) | 0.43A | 6aycA-6ay4A:63.2 | 6aycA-6ay4A:100.00 |