Structure of PDB 3ekh Chain A Binding Site BS01

Receptor Information

>3ekh Chain A (length=394) Species: 6100,9031,10116

SSRRKWNKTGHAVRAIGRLSSLENVYIMADKQKNGIKANFKIRHNIEDGG
VQLAYHYQQNTPIGDGPVLLPDNHYLSVQSKLSKDPNEKRDHMVLLEFVT
AAGITLVSKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTL
KFICTTGKLPVPWPTLVTTLVQCFSRYPDHMKQHDFFKSAMPEGYIQERT
IFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNTRD
QLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMI
NEVDADGNGTIDFPEFLTMMARWMKDTDSEEEIREAFRVFDKDGNGYISA
AELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMT

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 3ekh Chain A Residue 453

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ekh Crystal Structures of the GCaMP Calcium Sensor Reveal the Mechanism of Fluorescence Signal Change and Aid Rational Design
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): D323 D325 D327 T329 E334
• Binding residue (residue number reindexed from 1): D268 D270 D272 T274 E279
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number:
  2.7.11.18: [myosin light-chain] kinase.

Gene Ontology

Molecular Function

• GO:0005509 calcium ion binding

Biological Process

• GO:0006091 generation of precursor metabolites and energy
• GO:0008218 bioluminescence

External links

• PDB: RCSB:3ekh, PDBe:3ekh, PDBj:3ekh
• PDBsum: 3ekh
• PubMed: 19098007
• UniProt: P0DP29|CALM1_RAT Calmodulin-1 (Gene Name=Calm1);
  P11799;
  P42212|GFP_AEQVI Green fluorescent protein (Gene Name=GFP)