Structure of PDB 4l41 Chain A Binding Site BS01

Receptor Information
>4l41 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]
AKQFTKCELSQLLKDIDGYGGIALPELICTMFHTSGYDTQAIVENNESTE
YGLFQISNKLWCKSSQVPQSRNICDISCDKFLDDDITDDIMCAKKILDIK
GIDYWLAHKALCTEKLEQWLCEK
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 chain4l41 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4l41 Crystal Structure of Human Lactose Synthase forms a Novel 1:2 Complex between beta1,4Galactosyltransferase 1 and alpha-Lactalbumin Proteins
Resolution2.7 Å
Binding residue
(original residue number in PDB)		K80 D83 D85 D88 D89
Binding residue
(residue number reindexed from 1)		K80 D83 D85 D88 D89
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T34 N46 S48 E50 S57
Catalytic site (residue number reindexed from 1) T34 N46 S48 E50 S57
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004461 lactose synthase activity
GO:0005509 calcium ion binding
Biological Process
GO:0005989 lactose biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4l41, PDBe:4l41, PDBj:4l41
PDBsum4l41
PubMed
UniProtP00709|LALBA_HUMAN Alpha-lactalbumin (Gene Name=LALBA)

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