Structure of PDB 4wp9 Chain A Binding Site BS05

Receptor Information
>4wp9 Chain A (length=165) Species: 1764 (Mycobacterium avium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAMGSRVVILFTDIEESTALNERIGDRAWVKLISSHDKLVSDLVRRQSGH
VVKSQGDGFMVAFARPEQAVRCGIELQRALRRNAEIRVRIGIHMGRSVRR
GDDLFGRNVAMAARVAAQAAGGEILVSQPVRDALSRSDGIRFDDGREVEL
KGFSGTYRLFAVLAS
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 chain4wp9 Chain A Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4wp9 Autoinhibitory mechanism and activity-related structural changes in a mycobacterial adenylyl cyclase
Resolution1.382 Å
Binding residue
(original residue number in PDB)		R168 Q172 L204 K205
Binding residue
(residue number reindexed from 1)		R114 Q118 L150 K151
Annotation score1
Enzymatic activity
Enzyme Commision number 4.6.1.1: adenylate cyclase.
Gene Ontology
Biological Process
GO:0009190 cyclic nucleotide biosynthetic process
GO:0035556 intracellular signal transduction

View graph for
Biological Process
External links
PDB RCSB:4wp9, PDBe:4wp9, PDBj:4wp9
PDBsum4wp9
PubMed25916753
UniProtQ5UFR5

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