Structure of PDB 6f30 Chain B Binding Site BS04

Receptor Information
>6f30 Chain B (length=722) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WVTEACAQCPEGFDQPPVILFSMDGFRAEYLQTWSTLLPNINKLKTCGLH
SKYMRAVYPTKAFPNHYTIVTGLYPESHGIIDNNMYDVYLNKNFSLSSVE
KSNPAWWSGQPIWLTAMYQGLKAASYYWPGSDVAVNGSFPNIYRNYSNSV
PYESRIATLLQWLDLPKAERPSFYTIYVEEPDSAGHKSGPVSAGVIKALQ
LVDDAFGMLMEGLKQRNLHNCVNIIVLADHGMDQTSCDRVEYMTDYFPEI
NFYMYQGPAPRIRTRNIPQDFFTFNSEEIVRDLSCRKSDQHFKPYLTPDL
PKRLHYAKNVRIDKVHLMVDRQWLAYRNKGNCEGGTHGYNNEFKSMEAIF
LAHGPSFKEKTVIEPFENIEVYNLLCDLLHIQPAPNNGSHGSLNHLLKAP
FYQPSHAEELSKSAGCGFTTPLPKDSLNCSCLALQEEEQVNQRLNLNRGE
VSATEKTNLPFGRPRVIQKNKDHCLLYHREYVSGFGKAMKMPMWSSYTVP
KPGDTSSLPPTVPDCLRADVRVDPSESQKCSFYLADQNIDHGFLYPPAIK
GNNESQYDALITSNLVPMYKEFKKMWDYFHKVLLIKYAIERNGVNVVSGP
IFDYNYDGHFDAPDEITNYVAGTDVPVPTHYFVVLTSCKNKTHTPDSCPG
WLDVLPFVVPHRPTNVESCPENKAEDLWVEERFKAHIARVRDVELLTGLD
FYQEKTQPVSEILQLKTYLPTF
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 chain6f30 Chain B Residue 1004 [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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PDB6f30 Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3).
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D752 N754 D756 H758 D760
Binding residue
(residue number reindexed from 1)		D603 N605 D607 H609 D611
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.1: phosphodiesterase I.
3.6.1.9: nucleotide diphosphatase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6f30, PDBe:6f30, PDBj:6f30
PDBsum6f30
PubMed30022031
UniProtP97675|ENPP3_RAT Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 (Gene Name=Enpp3)

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