Structure of PDB 1mdu Chain D Binding Site BS02

Receptor Information
>1mdu Chain D (length=123) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VEHPEFLKAGKEPGLQIWRVEKFDLVPVPTNLYGDFFTGDAYVILKTVQL
RNGNLQYDLHYWLGNECSQDESGAAAIFTVQLDDYLNGRAVQHREVQGFE
SATFLGYFKSGLKYKKGGVASGF
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 chain1mdu Chain D Residue 403 [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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PDB1mdu Structure of an F-actin trimer disrupted by gelsolin and implications for the mechanism of severing
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D85 G90 A92
Binding residue
(residue number reindexed from 1)		D83 G88 A90
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0051015 actin filament binding

View graph for
Molecular Function
External links
PDB RCSB:1mdu, PDBe:1mdu, PDBj:1mdu
PDBsum1mdu
PubMed12356759
UniProtP06396|GELS_HUMAN Gelsolin (Gene Name=GSN)

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