Structure of PDB 1f4n Chain A Binding Site BS02

Receptor Information
>1f4n Chain A (length=59) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTKQEKTILNMARFIRSQALTILEKANELDADEIADIAESIHDHADEIYR
SALARFGDD
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 chain1f4n Chain A Residue 102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1f4n Dramatic structural and thermodynamic consequences of repacking a protein's hydrophobic core.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		A54 D58
Binding residue
(residue number reindexed from 1)		A54 D58
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0042802 identical protein binding

View graph for
Molecular Function
External links
PDB RCSB:1f4n, PDBe:1f4n, PDBj:1f4n
PDBsum1f4n
PubMed11188696
UniProtP03051|ROP_ECOLX Regulatory protein rop (Gene Name=rop)

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