Structure of PDB 8qd9 Chain B Binding Site BS01

Receptor Information
>8qd9 Chain B (length=413) Species: 5970 (Exophiala dermatitidis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SATEKYYIRDAITKPAVHHESYQKLWETKWKKPCEMGVYPFMFGSIKDFE
PVAQEIIKKGLKEPYDWDEYAQMYFPKAEELAKIAEEAEAAGEKEKASEY
YLRSSAVYRISRFPTPRSEKQKYAWRKGCEVFYKGAALMEYPIKEVRIPH
KHGIEGEGDVVPVNFLLPPNASETSPVPCVLIITGLDGYRTELAVWQQGW
RSKGVATVIAEIPGTGDSPALRQDPTSPDRQWSSVLDWIESQKAVDSKKI
VAWGFSTGGYYALRMAHTHKDRLLATISLGGGAHHMFDREWLEHANKLEY
PFDLSNTLAYKFGYPDLESFIEESSKFSLLNDGTLQKPCTKVLLVNGNDD
EIFPIDDMFVSLENGQPKLARMVKGKKHMGEPESFSIILEWIHKLLGLDG
KIKEQLAMIPSRT
Ligand information
Ligand IDQW8
InChIInChI=1S/C10H8O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1-4,11-14H
InChIKeyBCMKHWMDTMUUSI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c2cc(cc(c2c(cc1O)O)O)O
CACTVS 3.385Oc1cc(O)c2c(O)cc(O)cc2c1
FormulaC10 H8 O4
Namenaphthalene-1,3,6,8-tetrol;
1,3,6,8-tetrahydroxynaphthalene
ChEMBL
DrugBank
ZINC
PDB chain8qd9 Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8qd9 Polyketide trimming shapes dihydroxynaphthalene-melanin and anthraquinone pigments
Resolution1.95 Å
Binding residue
(original residue number in PDB)		Y39 S256 H378 M379 E381
Binding residue
(residue number reindexed from 1)		Y39 S256 H378 M379 E381
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links