Structure of PDB 2hyp Chain A Binding Site BS02

Receptor Information
>2hyp Chain A (length=230) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRPDYVLLHISDTHLIGGDDADDRLGELLEQLNQSGLRPDAIVFTGDLAA
KGEPAAYRKLRGLVEPFAAQLGAELVWVMGNHDDRAELRKFLLDEAPSMA
PLDRVCMIDGLRIIVLDTSVPGHHHGEIRASQLGWLAEELATPAPDGTIL
ALHHPPIPSVLDMAVTVELRDQAALGRVLRGTDVRAILAGHLHYSTNATF
VGIPVSVASATCGCNLVHVYPDTVVHSVIP
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 chain2hyp Chain A Residue 555 [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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PDB2hyp Structural and Biochemical Analysis of the Rv0805 Cyclic Nucleotide Phosphodiesterase from Mycobacterium tuberculosis.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		D63 N97 H169 H207
Binding residue
(residue number reindexed from 1)		D47 N81 H153 H191
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.16: 2',3'-cyclic-nucleotide 2'-phosphodiesterase.
3.1.4.17: 3',5'-cyclic-nucleotide phosphodiesterase.
Gene Ontology
Molecular Function
GO:0004112 cyclic-nucleotide phosphodiesterase activity
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:2hyp, PDBe:2hyp, PDBj:2hyp
PDBsum2hyp
PubMed17059828
UniProtP9WP65|CNPD3_MYCTU cAMP/cGMP dual specificity phosphodiesterase Rv0805 (Gene Name=Rv0805)

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