Structure of PDB 3dni Chain A Binding Site BS02

Receptor Information
>3dni Chain A (length=258) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKIAAFNIRTFGETKMSNATLASYIVRIVRRYDIVLIQEVRDSHLVAVGK
LLDYLNQDDPNTYHYVVSEPLGRNSYKERYLFLFRPNKVSVLDTYQYDDG
CCGNDSFSREPAVVKFSSHSTKVKEFAIVALHSAPSDAVAEINSLYDVYL
DVQQKWHLNDVMLMGDFNADCSYVTSSQWSSIRLRTSSTFQWLIPDSADT
TATSTNCAYDRIVVAGSLLQSSVVPGSAAPFDFQAAYGLSNEMALAISDH
YPVEVTLT
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 chain3dni Chain A Residue 282 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3dni Crystallographic refinement and structure of DNase I at 2 A resolution.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D99 D107 F109 S110 E112
Binding residue
(residue number reindexed from 1)		D99 D105 F107 S108 E110
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 H132 D166 D210 H250
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:3dni, PDBe:3dni, PDBj:3dni
PDBsum3dni
PubMed3560229
UniProtP00639|DNAS1_BOVIN Deoxyribonuclease-1 (Gene Name=DNASE1)

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