Structure of PDB 2hy1 Chain A Binding Site BS01

Receptor Information
>2hy1 Chain A (length=227) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRPDYVLLHISDTHLIDADDRLGELLEQLNQSGLRPDAIVFTGDLADKGE
PAAYRKLRGLVEPFAAQLGAELVWVMGNHDDRAELRKFLLDEAPSMAPLD
RVCMIDGLRIIVLDTSVPGHHHGEIRASQLGWLAEELATPAPDGTILALH
HPPIPSVLDMAVTVELRDQAALGRVLRGTDVRAILAGHLHYSTNATFVGI
PVSVASATCGCNLVHVYPDTVVHSVIP
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain2hy1 Chain A Residue 444 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2hy1 Structural and Biochemical Analysis of the Rv0805 Cyclic Nucleotide Phosphodiesterase from Mycobacterium tuberculosis.
Resolution1.932 Å
Binding residue
(original residue number in PDB)		D21 H23 D63 H209
Binding residue
(residue number reindexed from 1)		D12 H14 D44 H190
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:2hy1, PDBe:2hy1, PDBj:2hy1
PDBsum2hy1
PubMed17059828
UniProtP9WP65|CNPD3_MYCTU cAMP/cGMP dual specificity phosphodiesterase Rv0805 (Gene Name=Rv0805)

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