Structure of PDB 3qrx Chain A Binding Site BS04

Receptor Information
>3qrx Chain A (length=145) Species: 3055 (Chlamydomonas reinhardtii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VGLTEEQKQEIREAFDLFDTDGSGTIDAKELKVAMRALGFEPKKEEIKKM
ISEIDKDGSGTIDFEEFLTMMTAKMGERDSREEILKAFRLFDDDNSGTIT
IKDLRRVAKELGENLTEEELQEMIAEADRNDDNEIDEDEFIRIMK
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 chain3qrx Chain A Residue 172 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3qrx The structure, molecular dynamics, and energetics of centrin-melittin complex.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D111 D113 S115 T117 D122
Binding residue
(residue number reindexed from 1)		D92 D94 S96 T98 D103
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) I30 V126 M163
Catalytic site (residue number reindexed from 1) I11 V107 M144
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0045504 dynein heavy chain binding
GO:0046872 metal ion binding
Biological Process
GO:0051301 cell division
Cellular Component
GO:0036156 inner dynein arm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3qrx, PDBe:3qrx, PDBj:3qrx
PDBsum3qrx
PubMed21989934
UniProtP05434|CATR_CHLRE Caltractin

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