Structure of PDB 6dyo Chain A Binding Site BS03

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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6dyo Chain A Residue 903 [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)		A740 L741 N742 S786 M788
Binding residue
(residue number reindexed from 1)		A76 L77 N78 S122 M124
Annotation score1
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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