Structure of PDB 1kkl Chain C Binding Site BS01

Receptor Information
>1kkl Chain C (length=168) Species: 1582 (Lacticaseibacillus casei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AERRSMHGVLVDIYGLGVLITGDSGVGKSETALELVQRGHRLIADDRVDV
YQQDEQTIVGAAPPILSHLLEIRGLGIIDVMNLFGAGAVREDTTISLIVH
LENWTPDEQTQLIFDVPVPKITVPVKVGRNLAIIIEVAAMNFRAKSMGYD
ATKTFEKNLNHLIEHNEE
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 chain1kkl Chain C Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kkl X-ray structure of a bifunctional protein kinase in complex with its protein substrate HPr.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		S162 E204
Binding residue
(residue number reindexed from 1)		S29 E71
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.-
2.7.4.-
Gene Ontology
Molecular Function
GO:0000155 phosphorelay sensor kinase activity
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0000160 phosphorelay signal transduction system
GO:0006109 regulation of carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1kkl, PDBe:1kkl, PDBj:1kkl
PDBsum1kkl
PubMed12359875
UniProtQ9RE09|HPRK_LACCA HPr kinase/phosphorylase (Gene Name=hprK)

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