Structure of PDB 2a40 Chain E Binding Site BS01

Receptor Information
>2a40 Chain E (length=260) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKIAAFNIRTFGETKMSNATLASYIVRIVRRYDIVLIQEVRDSHLVAVGK
LLDYLNQDDPNTYHYVVSEPLGRNSYKERYLFLFRPNKVSVLDTYQYDDG
CESCGNDSFSREPAVVKFSSHSTKVKEFAIVALHSAPSDAVAEINSLYDV
YLDVQQKWHLNDVMLMGDFNADCSYVTSSQWSSIRLRTSSTFQWLIPDSA
DTTATSTNCAYDRIVVAGSLLQSSVVPGSAAPFDFQAAYGLSNEMALAIS
DHYPVEVTLT
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 chain2a40 Chain E Residue 1272 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2a40 Actin-bound structures of Wiskott-Aldrich syndrome protein (WASP)-homology domain 2 and the implications for filament assembly
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D201 T203 T205 T207
Binding residue
(residue number reindexed from 1)		D201 T203 T205 T207
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E39 Y76 E78 H134 D168 D212 H252
Catalytic site (residue number reindexed from 1) E39 Y76 E78 H134 D168 D212 H252
Enzyme Commision number 3.1.21.1: deoxyribonuclease I.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003779 actin binding
GO:0003824 catalytic activity
GO:0004519 endonuclease activity
GO:0004530 deoxyribonuclease I activity
GO:0004536 DNA nuclease activity
GO:0005515 protein binding
Biological Process
GO:0002283 neutrophil activation involved in immune response
GO:0002673 regulation of acute inflammatory response
GO:0006308 DNA catabolic process
GO:0006915 apoptotic process
GO:0070948 regulation of neutrophil mediated cytotoxicity
Cellular Component
GO:0005576 extracellular region
GO:0005634 nucleus
GO:0005635 nuclear envelope
GO:0031410 cytoplasmic vesicle
GO:0042588 zymogen granule

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2a40, PDBe:2a40, PDBj:2a40
PDBsum2a40
PubMed16275905
UniProtP00639|DNAS1_BOVIN Deoxyribonuclease-1 (Gene Name=DNASE1)

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