Structure of PDB 6dyo Chain A Binding Site BS01

Receptor Information
>6dyo Chain A (length=213) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLKMEAVPLRLEHRQEVIDIIVASFYNKADLEQWLKPGVLRTDYSDILND
IWNVLVERDLSFVVYDTNTDRIIGTALNFDARNEPEVDIKSKLLIVFEFL
EFCEGPIRDNYLPKGLNQILHSFMMGTAEKLNPRENIACMHFMEHEVLRV
AREKQFAGIFTTNTSPLTQQLADVYHYKTLLNFQVNEYVHSDGSRPFGDA
PDEQRAIVHWKEV
Ligand information
Ligand IDLDP
InChIInChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
InChIKeyVYFYYTLLBUKUHU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NCCc1ccc(O)c(O)c1
OpenEye OEToolkits 1.5.0c1cc(c(cc1CCN)O)O
ACDLabs 10.04Oc1ccc(cc1O)CCN
FormulaC8 H11 N O2
NameL-DOPAMINE;
DOPAMINE
ChEMBLCHEMBL59
DrugBankDB00988
ZINCZINC000000033882
PDB chain6dyo Chain A Residue 901 [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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PDB6dyo Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Resolution2.84 Å
Binding residue
(original residue number in PDB)		E696 V760 L764 F787
Binding residue
(residue number reindexed from 1)		E32 V96 L100 F123
Annotation score5
Binding affinityPDBbind-CN: -logKd/Ki=4.49,Kd=32uM
Enzymatic activity
Enzyme Commision number 6.3.2.-
External links
PDB RCSB:6dyo, PDBe:6dyo, PDBj:6dyo
PDBsum6dyo
PubMed30705105
UniProtQ9VDC6|EBO_DROME Beta-alanyl-bioamine nonribosomal peptide synthetase ebony (Gene Name=e)

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