Structure of PDB 1fkv Chain A Binding Site BS01

Receptor Information
>1fkv Chain A (length=121) Species: 9925 (Capra hircus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEQLTKCEVFQKLKDLKDYGGVSLPEWVCIAFHTSGYDTQAIVQNNDSTE
YGLFQINNKIWCKDDQNPHSRNICNISCDKFLDDDLTDDIVCAKKILDKV
GINYWLAHKALCSEKLDQWLC
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 chain1fkv 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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PDB1fkv Contribution of Thr29 to the thermodynamic stability of goat alpha-lactalbumin as determined by experimental and theoretical approaches.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		K79 D82 D84 D87 D88
Binding residue
(residue number reindexed from 1)		K80 D83 D85 D88 D89
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T33 N45 S47 E49 N56
Catalytic site (residue number reindexed from 1) T34 N46 S48 E50 N57
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:0050829 defense response to Gram-negative bacterium
GO:0050830 defense response to Gram-positive bacterium
Cellular Component
GO:0005576 extracellular region
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:1fkv, PDBe:1fkv, PDBj:1fkv
PDBsum1fkv
PubMed11536356
UniProtP00712|LALBA_CAPHI Alpha-lactalbumin (Gene Name=LALBA)

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