Structure of PDB 1a4v Chain A Binding Site BS01

Receptor Information
>1a4v Chain A (length=123) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KQFTKCELSQLLKDIDGYGGIALPELICTMFHTSGYDTQAIVENNESTEY
GLFQISNKLWCKSSQVPQSRNICDISCDKFLDDDITDDIMCAKKILDIKG
IDYWLAHKALCTEKLEQWLCEKL
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 chain1a4v Chain A Residue 124 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1a4v Structural evidence for the presence of a secondary calcium binding site in human alpha-lactalbumin.
Resolution1.8 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 S56
Catalytic site (residue number reindexed from 1) T33 N45 S47 E49 S56
Enzyme Commision number 2.4.1.22: lactose synthase.
Gene Ontology
Molecular Function
GO:0003796 lysozyme activity
GO:0004461 lactose synthase activity
GO:0005509 calcium ion binding
GO:0046872 metal ion binding
Biological Process
GO:0005989 lactose biosynthetic process
GO:0006915 apoptotic process
GO:0007165 signal transduction
GO:0007267 cell-cell signaling
GO:0042742 defense response to bacterium
Cellular Component
GO:0000139 Golgi membrane
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005796 Golgi lumen
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1a4v, PDBe:1a4v, PDBj:1a4v
PDBsum1a4v
PubMed9537992
UniProtP00709|LALBA_HUMAN Alpha-lactalbumin (Gene Name=LALBA)

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