Structure of PDB 4awn Chain A Binding Site BS03

Receptor Information
>4awn Chain A (length=260) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKIAAFNIQTFGETKMSNATLVSYIVQILSRYDIALVQEVRDSHLTAVGK
LLDNLNQDAPDTYHYVVSEPLGRNSYKERYLFVYRPDQVSAVDSYYYDDG
CEPCGNDTFNREPAIVRFFSRFTEVREFAIVPLHAAPGDAVAEIDALYDV
YLDVQEKWGLEDVMLMGDFNAGCSYVRPSQWSSIRLWTSPTFQWLIPDSA
DTTATPTHCAYDRIVVAGMLLRGAVVPDSALPFNFQAAYGLSDQLAQAIS
DHYPVEVMLK
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain4awn Chain A Residue 310 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4awn The Structure of Human DNase I Bound to Magnesium and Phosphate Ions Points to a Catalytic Mechanism Common to Members of the DNase I-Like Superfamily.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		H134 D168 N170 H252
Binding residue
(residue number reindexed from 1)		H134 D168 N170 H252
Annotation score3
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
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4awn, PDBe:4awn, PDBj:4awn
PDBsum4awn
PubMed23215638
UniProtP24855|DNAS1_HUMAN Deoxyribonuclease-1 (Gene Name=DNASE1)

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