Structure of PDB 6nkq Chain B Binding Site BS01

Receptor Information
>6nkq Chain B (length=160) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPE
GDLEILLQKWENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKK
YLLFCMENSAEPEQSLACQCLVRTPEVDDEALEKFDKALKALPMHIRLSF
NPTQLEEQCH
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 chain6nkq Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6nkq The structure of bovine beta-lactoglobulin in crystals grown at pH 3.8 exhibiting novel threefold twinning.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		T49 E51
Binding residue
(residue number reindexed from 1)		T48 E50
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0036094 small molecule binding

View graph for
Molecular Function
External links
PDB RCSB:6nkq, PDBe:6nkq, PDBj:6nkq
PDBsum6nkq
PubMed31584012
UniProtP02754|LACB_BOVIN Beta-lactoglobulin (Gene Name=LGB)

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