Structure of PDB 1f6s Chain D Binding Site BS01

Receptor Information
>1f6s Chain D (length=122) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQLTKCEVFRELKDLKGYGGVSLPEWVCTTFHTSGYDTQAIVQNNDSTEY
GLFQINNKIWCKDDQNPHSSNICNISCDKFLDDDLTDDIMCVKKILDKVG
INYWLAHKALCSEKLDQWLCEK
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 chain1f6s Chain D Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1f6s Crystal structures of apo- and holo-bovine alpha-lactalbumin at 2. 2-A resolution reveal an effect of calcium on inter-lobe interactions.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		K79 D82 D84 D87 D88
Binding residue
(residue number reindexed from 1)		K79 D82 D84 D87 D88
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T33 N45 S47 E49 N56
Catalytic site (residue number reindexed from 1) T33 N45 S47 E49 N56
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003796 lysozyme activity
GO:0004461 lactose synthase activity
GO:0005509 calcium ion binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0005989 lactose biosynthetic process
GO:0032355 response to estradiol
GO:0032570 response to progesterone
GO:1903494 response to dehydroepiandrosterone
GO:1903496 response to 11-deoxycorticosterone
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1f6s, PDBe:1f6s, PDBj:1f6s
PDBsum1f6s
PubMed10896943
UniProtP00711|LALBA_BOVIN Alpha-lactalbumin (Gene Name=LALBA)

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