Structure of PDB 4wp8 Chain B Binding Site BS02

Receptor Information
>4wp8 Chain B (length=166) Species: 1764 (Mycobacterium avium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMGSRVVILFTDIEESTALNERIGDRAWVKLISSHDKLVSDLVRRQSGHV
VKSQGDGFMVAFARPEQAVRCGIELQRALRRNANRKRHEEIRVRIGIHMG
RSVRRGDDLFGRNVAMAARVAAQAAGGEILVSQPVRDALSRGIRFDDGRE
VELKGFSGTYRLFAVL
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain4wp8 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4wp8 Autoinhibitory mechanism and activity-related structural changes in a mycobacterial adenylyl cyclase
Resolution1.65 Å
Binding residue
(original residue number in PDB)		D61 I62 D105
Binding residue
(residue number reindexed from 1)		D12 I13 D56
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:4wp8, PDBe:4wp8, PDBj:4wp8
PDBsum4wp8
PubMed25916753
UniProtQ5UFR5

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