Structure of PDB 4m9s Chain A Binding Site BS02

Receptor Information
>4m9s Chain A (length=510) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLCEIECRALSTAHTRLIHDFEPRDALTYLEGKNIFTEDHSELISKMSTR
LERIANFLRIYRRQASELGPLIDFFNYNNQSHLADFLEDYIDFAINEPDL
LRPVVIAPQFSRQMLDRKLLLGNVPKQMTCYIREYHVDRVIKKLDEMCDL
DSFFLFLHGRAGSGKSVIASQALSKSDQLIGINYDSIVWLKDSGTAPKST
FDLFTDILLMLKSEDDLLNFPSVEHVTSVVLKRMICNALIDRPNTLFVFD
DVVQEETIRWAQELRLRCLVTTRDVEISNAASQTCEFIEVTSLEIDECYD
FLEAYGMPMPVGEKEEDVLNKTIELSSGNPATLMMFFKSCEPKTFEKMAQ
LNNKLESRGLVGVECITPYSYKSLAMALQRCVEVLSDEDRSALAFAVVMP
PGVDIPVKLWSCVIPVDEQLDDEVADRLKRLSKRGALLSGKRMPVLTFKI
DHIIHMFLKHVVDAQTIANGISILEQRLLEIETVIRPEDFPKFMQLHQKF
YDSLKNFACC
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4m9s Chain A Residue 601 [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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PDB4m9s Mechanistic insights into CED-4-mediated activation of CED-3.
Resolution3.207 Å
Binding residue
(original residue number in PDB)		S166 D250
Binding residue
(residue number reindexed from 1)		S166 D250
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008656 cysteine-type endopeptidase activator activity involved in apoptotic process
GO:0016505 peptidase activator activity involved in apoptotic process
GO:0042802 identical protein binding
GO:0043531 ADP binding
GO:0046872 metal ion binding
GO:0051432 BH1 domain binding
GO:0051434 BH3 domain binding
GO:0061133 endopeptidase activator activity
GO:0089720 caspase binding
Biological Process
GO:0006915 apoptotic process
GO:0006919 activation of cysteine-type endopeptidase activity involved in apoptotic process
GO:0008361 regulation of cell size
GO:0009792 embryo development ending in birth or egg hatching
GO:0010954 positive regulation of protein processing
GO:0030042 actin filament depolymerization
GO:0030155 regulation of cell adhesion
GO:0031647 regulation of protein stability
GO:0040034 regulation of development, heterochronic
GO:0042981 regulation of apoptotic process
GO:0043065 positive regulation of apoptotic process
GO:0046716 muscle cell cellular homeostasis
GO:0048598 embryonic morphogenesis
GO:0050829 defense response to Gram-negative bacterium
GO:0097202 activation of cysteine-type endopeptidase activity
GO:1900118 negative regulation of execution phase of apoptosis
GO:1902742 apoptotic process involved in development
GO:1904747 positive regulation of apoptotic process involved in development
GO:1905808 positive regulation of synapse pruning
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol
GO:0008303 caspase complex
GO:0016020 membrane
GO:0032991 protein-containing complex
GO:0048471 perinuclear region of cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4m9s, PDBe:4m9s, PDBj:4m9s
PDBsum4m9s
PubMed24065769
UniProtP30429|CED4_CAEEL Cell death protein 4 (Gene Name=ced-4)

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