Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T86829 | Target Info | |||
| Target Name | Fungal Scytalone dehydratase (Fung SDH1) | ||||
| Synonyms | SDH1 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | Fung SDH1 | ||||
| Biochemical Class | Alpha-carbonic anhydrase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | N-[1-(4-Bromophenyl)ethyl]-5-fluoro salicylamide | Ligand Info | |||
| Canonical SMILES | CC(C1=CC=C(C=C1)Br)NC(=O)C2=C(C=CC(=C2)F)O | ||||
| InChI | 1S/C15H13BrFNO2/c1-9(10-2-4-11(16)5-3-10)18-15(20)13-8-12(17)6-7-14(13)19/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1 | ||||
| InChIKey | KFTNEILVDDUXGR-SECBINFHSA-N | ||||
| PubChem Compound ID | 5496910 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1STD CRYSTAL STRUCTURE OF SCYTALONE DEHYDRATASE: A DISEASE DETERMINANT OF THE RICE PATHOGEN, MAGNAPORTHE GRISEA | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [1] |
| PDB Sequence |
DEITFSDYLG
18 LMTCVYEWAD28 SYDSKDWDRL38 RKVIAPTLRI48 DYRSFLDKLW58 EAMPAEEFVG 68 MVSSKQVLGD78 PTLRTQHFIG88 GTRWEKVSED98 EVIGYHQLRV108 PHQRYKDTTM 118 KEVTMKGHAH128 SANLHWYKKI138 DGVWKFAGLK148 PDIRWGEFDF158 DRIFEDGRET 168 FG
|
|||||
|
|
TRP26
4.218
TYR30
3.874
TYR50
3.592
PHE53
4.062
LEU54
4.657
MET69
4.725
VAL70
4.190
VAL75
4.049
LEU76
3.588
HIS85
4.261
LEU106
3.934
VAL108
3.112
|
|||||
| PDB ID: 4STD HIGH RESOLUTION STRUCTURES OF SCYTALONE DEHYDRATASE-INHIBITOR COMPLEXES CRYSTALLIZED AT PHYSIOLOGICAL PH | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [2] |
| PDB Sequence |
GEITFSDYLG
18 LMTCVYEWAD28 SYDSKDWDRL38 RKVIAPTLRI48 DYRSFLDKLW58 EAMPAEEFVG 68 MVSSKQVLGD78 PTLRTQHFIG88 GTRWEKVSED98 EVIGYHQLRV108 PHQRYKDTTM 118 KEVTMKGHAH128 SANLHWYKKI138 DGVWKFAGLK148 PDIRWGEFDF158 DRIFEDGRET 168 FGDK
|
|||||
|
|
TRP26
4.224
TYR30
3.467
TYR50
3.587
PHE53
4.045
LEU54
4.113
MET69
4.366
VAL70
4.320
VAL75
3.561
LEU76
3.660
HIS85
3.891
LEU106
3.506
VAL108
3.702
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of scytalone dehydratase--a disease determinant of the rice pathogen, Magnaporthe grisea. Structure. 1994 Oct 15;2(10):937-44. | ||||
| REF 2 | High-resolution structures of scytalone dehydratase-inhibitor complexes crystallized at physiological pH. Proteins. 1999 Jun 1;35(4):425-39. | ||||
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