Structure of PDB 6i4e Chain A Binding Site BS02

Receptor Information
>6i4e Chain A (length=351) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVQALVVDNGSGNVKAGVAGDDAPRSVFPSIVGRPDAFVGDEAQTKRGIL
TLKYPIEHGIVTNWDDMEKIWHHTFYNELRAAPEEHPVLLTEAPLNPKGN
RERMTQIMFESFNVPAMYVAIQAVLSLYSSGRTTGIVLDSGDGVSHTVPI
YEGYALPHAIMRLDLAGRDLTEYLMKILHERGYGFSTSAEKEIVRDIKEK
LCYIALNFDEEMKTSEQSSDIEKSYELPDGNIITVGNERFRCPEALFQPS
FLGKEAAGIHTTTFNSIKKCDVDIRKDLYGNIVLSGGTTMYEGIGERLTR
DITTLAPSTMKIKVVAPPERKYSVWIGGSILSSLSTFQQMWITKEEYDES
G
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 chain6i4e Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6i4e Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation.
Resolution1.22 Å
Binding residue
(original residue number in PDB)		T319 T320 A322
Binding residue
(residue number reindexed from 1)		T303 T304 A306
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0005200 structural constituent of cytoskeleton
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0007010 cytoskeleton organization
GO:0009665 plastid inheritance
GO:0020014 schizogony
GO:0070360 symbiont-mediated actin polymerization-dependent cell-to-cell migration in host
GO:0085017 entry into host cell by a symbiont-containing vacuole
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005884 actin filament
GO:0015629 actin cytoskeleton

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6i4e, PDBe:6i4e, PDBj:6i4e
PDBsum6i4e
PubMed31199804
UniProtQ8I4X0|ACT1_PLAF7 Actin-1 (Gene Name=ACT1)

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