Structure of PDB 1n5t Chain B Binding Site BS01

Receptor Information
>1n5t Chain B (length=112) Species: 100226 (Streptomyces coelicolor A3(2)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEVNDPRVGFVAVVTFPVDGPATQHKLVELATGGVQEWIREVPGFLSATY
HASTDGTAVVNYAQWESEQAYRVNFGADPRSAELREALSSLPGLMGPPKA
VFMTPRGAILPS
Ligand information
Ligand IDOAL
InChIInChI=1S/C16H10O6/c17-10-3-1-2-8-12(10)16(22)13-9(15(8)21)5-4-7(14(13)20)6-11(18)19/h1-5,17,20H,6H2,(H,18,19)
InChIKeyIKFRFGXQHSBCQM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C2c1cccc(O)c1C(=O)c3c2ccc(c3O)CC(=O)O
OpenEye OEToolkits 1.5.0c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O)C2=O
CACTVS 3.341OC(=O)Cc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
FormulaC16 H10 O6
Name(1,8-DIHYDROXY-9,10-DIOXO-9,10-DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID;
OXIDIZED ACETYL DITHRANOL
ChEMBL
DrugBankDB03037
ZINCZINC000006251605
PDB chain1n5t Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1n5t The structure of ActVA-Orf6, a novel type of monooxygenase involved in actinorhodin biosynthesis
Resolution1.9 Å
Binding residue
(original residue number in PDB)		V15 N62 A64 W66 Y72 R86 P99
Binding residue
(residue number reindexed from 1)		V14 N61 A63 W65 Y71 R85 P98
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links