Structure of PDB 3c16 Chain A Binding Site BS01

Receptor Information
>3c16 Chain A (length=190) Species: 9615 (Canis lupus familiaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DMMFHKIYIQKHDNVSILFADIEGFTSLASQCTAQELVMTLNELFARFDK
LAAENHCLRIKILGDCYYCVSGLPEARADHAHCCVEMGMDMIEAISLVRE
MTGVNVNMRVGIHSGRVHCGVLGLRKWQFDVWSNDVTLANHMEAGGKAGR
IHITKATLSYLNGDYEVEPGCGGERNAYLKEHSIETFLIL
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 chain3c16 Chain A Residue 29 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3c16 Structural basis for inhibition of mammalian adenylyl cyclase by calcium.
Resolution2.87 Å
Binding residue
(original residue number in PDB)		D396 I397 D440
Binding residue
(residue number reindexed from 1)		D21 I22 D65
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D396 I397 D440 H516
Catalytic site (residue number reindexed from 1) D21 I22 D65 H141
Enzyme Commision number 4.6.1.1: adenylate cyclase.
Gene Ontology
Molecular Function
GO:0016849 phosphorus-oxygen lyase activity
Biological Process
GO:0009190 cyclic nucleotide biosynthetic process
GO:0035556 intracellular signal transduction

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Molecular Function
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Biological Process
External links
PDB RCSB:3c16, PDBe:3c16, PDBj:3c16
PDBsum3c16
PubMed19243146
UniProtP30803|ADCY5_CANLF Adenylate cyclase type 5 (Gene Name=ADCY5)

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