Structure of PDB 6dym Chain A Binding Site BS01

Receptor Information
>6dym 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 chain6dym 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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PDB6dym Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Resolution2.02 Å
Binding residue
(original residue number in PDB)		M665 L666 R798
Binding residue
(residue number reindexed from 1)		M1 L2 R134
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.2.-
External links
PDB RCSB:6dym, PDBe:6dym, PDBj:6dym
PDBsum6dym
PubMed30705105
UniProtQ9VDC6|EBO_DROME Beta-alanyl-bioamine nonribosomal peptide synthetase ebony (Gene Name=e)

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